#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3b n ARG 14 N 0.00 -1.24 0.26 5.56 1.74 -1.26 -4.85 116.66 116.87 3i3b n ARG 14 Ca 0.00 0.73 0.13 0.00 -0.77 0.00 0.00 57.85 57.95 3i3b n ARG 14 Cb 0.00 -3.65 0.73 0.00 -1.02 0.00 0.00 32.46 28.51 3i3b n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i3b h ASP 15 N -0.93 0.00 0.00 0.55 3.32 -1.95 -2.58 116.42 114.83 3i3b h ASP 15 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3i3b h ASP 15 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3i3b h ASP 15 CO 0.41 0.11 0.00 -2.67 -1.72 0.00 0.00 179.24 175.37 3i3b n TRP 16 N -3.54 0.00 -2.14 4.55 2.14 -1.26 -2.51 117.44 114.68 3i3b n TRP 16 Ca -0.01 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.58 3i3b n TRP 16 Cb 0.25 0.00 0.10 0.00 -0.81 0.00 0.00 31.31 30.85 3i3b n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3i3b n GLU 17 N -0.68 1.08 -3.60 -2.67 1.02 -0.97 -0.07 120.64 114.74 3i3b n GLU 17 Ca 0.07 -2.83 -0.26 0.00 -0.02 0.00 0.00 57.16 54.12 3i3b n GLU 17 Cb 0.03 -0.97 -0.17 0.00 -0.02 0.00 0.00 31.44 30.32 3i3b n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3i3b s ASN 18 N -2.78 2.45 0.19 1.62 3.84 -1.04 -4.67 114.94 114.54 3i3b s ASN 18 Ca 0.36 -0.67 0.21 0.00 0.21 0.00 0.00 52.86 52.97 3i3b s ASN 18 Cb 0.38 -0.25 0.88 0.00 -0.55 0.00 0.00 41.25 41.72 3i3b s ASN 18 CO -0.10 -0.36 1.65 -0.81 -2.79 0.00 0.00 177.10 174.69 3i3b n PRO 19 N 5.28 0.14 0.09 0.43 -0.04 -1.26 -1.87 135.00 137.77 3i3b n PRO 19 Ca -0.07 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3i3b n PRO 19 Cb 0.48 -1.77 0.45 0.00 -0.04 0.00 0.00 33.50 32.62 3i3b n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i3b n GLY 20 N 0.03 -1.58 2.96 0.55 0.00 -1.26 -4.33 105.19 101.55 3i3b n GLY 20 Ca 0.03 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3i3b n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3b s VAL 21 N -3.12 1.81 -1.43 1.61 1.01 -0.78 -4.94 120.40 114.57 3i3b s VAL 21 Ca 0.10 -1.73 0.15 0.00 0.00 0.00 0.00 61.98 60.49 3i3b s VAL 21 Cb 0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3i3b s VAL 21 CO 0.54 -0.36 0.83 0.35 0.00 0.00 0.00 175.10 176.46 3i3b n THR 22 N 4.50 0.00 -3.59 3.92 -2.24 -1.26 -4.77 114.28 110.84 3i3b n THR 22 Ca -0.05 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3i3b n THR 22 Cb 0.43 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 3i3b n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b s GLN 23 N -1.70 0.35 -0.08 -0.78 1.03 -1.26 -1.61 119.66 115.61 3i3b s GLN 23 Ca 0.13 -0.14 -0.03 0.00 0.04 0.00 0.00 55.36 55.36 3i3b s GLN 23 Cb 0.12 0.16 0.05 0.00 0.03 0.00 0.00 33.01 33.36 3i3b s GLN 23 CO 0.34 -0.15 0.15 -0.51 -2.54 0.00 0.00 175.29 172.57 3i3b s LEU 24 N -2.25 -0.04 -1.61 2.60 1.43 -0.81 -4.86 118.68 113.13 3i3b s LEU 24 Ca 0.09 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3i3b s LEU 24 Cb -0.01 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.42 3i3b s LEU 24 CO -0.05 -0.25 0.00 0.59 0.23 0.00 0.00 176.35 176.87 3i3b n ASN 25 N 5.32 -4.87 -4.75 2.29 3.02 -1.26 -1.38 115.26 113.64 3i3b n ASN 25 Ca -0.04 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 3i3b n ASN 25 Cb 0.50 -3.80 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 3i3b n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i3b s ARG 26 N -3.60 4.65 0.76 3.52 3.52 -1.26 -4.66 118.95 121.87 3i3b s ARG 26 Ca 0.00 1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 56.78 3i3b s ARG 26 Cb 0.00 -3.32 0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3i3b s ARG 26 CO 0.00 0.39 1.08 -0.51 -0.81 0.00 0.00 175.30 175.44 3i3b s LEU 27 N -0.55 2.92 0.76 -0.88 1.43 0.34 -4.99 118.68 117.70 3i3b s LEU 27 Ca 0.41 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 3i3b s LEU 27 Cb -0.23 -4.34 0.05 0.00 0.03 0.00 0.00 46.19 41.71 3i3b s LEU 27 CO 0.28 -1.82 1.18 0.00 0.23 0.00 0.00 176.35 176.22 3i3b s ALA 28 N -3.02 2.05 0.55 4.21 0.00 -1.26 -4.64 121.76 119.65 3i3b s ALA 28 Ca 0.60 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 3i3b s ALA 28 Cb -0.15 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 3i3b s ALA 28 CO 0.55 -1.96 0.97 0.00 0.00 0.00 0.00 175.76 175.32 3i3b s ALA 29 N -2.17 3.13 0.09 0.00 0.00 -1.26 -4.96 121.76 116.59 3i3b s ALA 29 Ca 0.72 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.38 3i3b s ALA 29 Cb -0.27 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 19.91 3i3b s ALA 29 CO 0.48 -0.43 1.04 -3.38 0.00 0.00 0.00 175.76 173.46 3i3b s HIS 30 N -2.87 -0.13 1.05 0.00 -3.43 -1.26 -4.89 115.29 103.76 3i3b s HIS 30 Ca 0.56 -0.10 -0.12 0.00 -0.80 0.00 0.00 55.06 54.59 3i3b s HIS 30 Cb -0.10 0.60 0.22 0.00 -1.43 0.00 0.00 32.58 31.87 3i3b s HIS 30 CO 0.43 -0.65 1.07 -2.14 -2.00 0.00 0.00 174.74 171.44 3i3b s PRO 31 N -3.04 0.02 -0.03 -0.38 0.02 -1.12 -4.34 135.00 126.13 3i3b s PRO 31 Ca 0.12 0.70 -0.34 0.00 0.02 0.00 0.00 61.00 61.49 3i3b s PRO 31 Cb 0.00 -1.67 -0.12 0.00 0.02 0.00 0.00 34.50 32.72 3i3b s PRO 31 CO -0.00 -3.05 1.80 -2.30 -0.33 0.00 0.00 177.00 173.11 3i3b n PRO 32 N -4.43 2.14 -4.16 5.54 -0.02 -1.26 -4.99 135.00 127.82 3i3b n PRO 32 Ca 0.05 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 62.05 3i3b n PRO 32 Cb 0.56 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 3i3b n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i3b s PHE 33 N 3.27 2.97 0.00 6.00 0.08 -1.26 -4.81 117.98 124.23 3i3b s PHE 33 Ca 0.89 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.85 3i3b s PHE 33 Cb -0.70 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.32 3i3b s PHE 33 CO 0.49 0.52 0.00 0.00 -0.10 0.00 0.00 175.22 176.13 3i3b n ALA 34 N -0.26 0.00 -3.97 5.36 0.00 -1.26 -5.03 120.51 115.34 3i3b n ALA 34 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3i3b n ALA 34 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 3i3b n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3b n SER 35 N 0.00 -4.46 -4.77 0.00 2.88 -1.26 -4.18 113.62 101.83 3i3b n SER 35 Ca 0.00 -1.21 -0.35 0.00 -1.33 0.00 0.00 58.87 55.98 3i3b n SER 35 Cb 0.00 -1.97 0.00 0.00 -0.75 0.00 0.00 64.21 61.49 3i3b n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3i3b s TRP 36 N -3.45 2.66 -0.41 0.66 0.51 -0.71 -4.59 118.94 113.61 3i3b s TRP 36 Ca 0.43 1.54 0.12 0.00 -2.12 0.00 0.00 56.10 56.08 3i3b s TRP 36 Cb -0.22 -3.29 0.33 0.00 -0.81 0.00 0.00 33.47 29.47 3i3b s TRP 36 CO 0.95 -1.59 1.25 0.54 -0.51 0.00 0.00 176.95 177.59 3i3b n ARG 37 N -1.33 2.69 -3.71 4.98 5.12 -1.26 -0.66 116.66 122.49 3i3b n ARG 37 Ca 0.12 -2.30 -0.16 0.00 -1.93 0.00 0.00 57.85 53.58 3i3b n ARG 37 Cb 0.51 -1.45 -0.16 0.00 -1.16 0.00 0.00 32.46 30.20 3i3b n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3i3b s ASN 38 N -1.57 0.44 0.31 0.55 3.84 -1.26 -4.97 114.94 112.28 3i3b s ASN 38 Ca 0.27 0.23 0.04 0.00 0.21 0.00 0.00 52.86 53.60 3i3b s ASN 38 Cb 0.20 0.11 0.51 0.00 -0.55 0.00 0.00 41.25 41.52 3i3b s ASN 38 CO 0.09 -0.20 1.79 0.28 -2.79 0.00 0.00 177.10 176.28 3i3b h SER 39 N 7.85 0.45 -0.32 -4.21 0.02 -1.97 -2.81 113.55 112.57 3i3b h SER 39 Ca -0.28 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 3i3b h SER 39 Cb 1.12 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3i3b h SER 39 CO 0.29 0.64 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.48 3i3b h GLU 40 N 0.43 0.71 -0.43 3.45 4.57 -1.99 -0.53 114.58 120.79 3i3b h GLU 40 Ca 0.08 -0.20 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 3i3b h GLU 40 Cb 0.53 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3i3b h GLU 40 CO 0.03 0.76 -0.17 0.93 -1.18 0.00 0.00 179.01 179.38 3i3b h GLU 41 N 0.66 0.88 -0.47 1.92 4.39 -1.90 -1.42 114.58 118.63 3i3b h GLU 41 Ca 0.12 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 3i3b h GLU 41 Cb 0.49 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3i3b h GLU 41 CO 0.03 1.01 0.19 0.00 -1.16 0.00 0.00 179.01 179.07 3i3b h ALA 42 N 0.84 0.61 0.29 3.43 0.00 -1.25 0.19 119.26 123.38 3i3b h ALA 42 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i3b h ALA 42 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i3b h ALA 42 CO 0.06 0.23 -0.14 -0.09 0.00 0.00 0.00 179.25 179.30 3i3b h ARG 43 N 0.62 -0.37 0.00 0.00 2.43 -0.97 -2.47 114.38 113.61 3i3b h ARG 43 Ca 0.16 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3i3b h ARG 43 Cb 0.20 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3i3b h ARG 43 CO -0.01 -0.22 0.00 0.25 -1.51 0.00 0.00 179.97 178.48 3i3b n THR 44 N -5.24 0.78 -2.68 0.20 -2.24 -0.54 -4.88 114.28 99.68 3i3b n THR 44 Ca -0.10 0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 3i3b n THR 44 Cb 0.19 -0.93 0.02 0.00 -2.10 0.00 0.00 70.33 67.50 3i3b n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3b n ASP 45 N -1.72 -5.06 -4.88 3.42 2.03 0.56 -5.00 116.55 105.89 3i3b n ASP 45 Ca 0.04 -0.16 -0.30 0.00 0.52 0.00 0.00 54.79 54.89 3i3b n ASP 45 Cb 0.23 -3.99 0.04 0.00 -0.72 0.00 0.00 41.12 36.68 3i3b n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3i3b s ARG 46 N -5.24 2.92 0.54 -0.67 0.52 -0.54 -4.99 118.95 111.49 3i3b s ARG 46 Ca 0.16 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.65 3i3b s ARG 46 Cb -0.07 -2.04 -0.09 0.00 0.52 0.00 0.00 34.95 33.27 3i3b s ARG 46 CO 0.20 -0.98 0.62 -2.30 0.02 0.00 0.00 175.30 172.86 3i3b n PRO 47 N -2.97 0.63 -4.59 3.54 -0.02 -1.26 -4.78 135.00 125.55 3i3b n PRO 47 Ca 0.07 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 3i3b n PRO 47 Cb 0.57 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 3i3b n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3b s SER 48 N -1.11 4.10 0.37 2.55 0.15 -1.26 -4.99 113.70 113.51 3i3b s SER 48 Ca 0.68 -0.33 0.27 0.00 0.70 0.00 0.00 55.95 57.28 3i3b s SER 48 Cb -0.47 -1.64 1.24 0.00 -1.71 0.00 0.00 66.02 63.44 3i3b s SER 48 CO 0.54 0.13 1.82 1.56 1.20 0.00 0.00 173.24 178.50 3i3b h GLN 49 N 6.95 0.00 -0.00 5.44 4.20 -1.91 -1.90 115.11 127.89 3i3b h GLN 49 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3i3b h GLN 49 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3i3b h GLN 49 CO 0.57 0.00 -0.17 1.04 -0.67 0.00 0.00 178.83 179.60 3i3b n GLN 50 N -2.51 0.69 -4.00 1.46 3.00 -1.26 -4.63 117.38 110.12 3i3b n GLN 50 Ca 0.01 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.38 3i3b n GLN 50 Cb 0.19 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.79 3i3b n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3i3b s LEU 51 N -2.52 4.55 0.00 1.08 2.96 -0.72 -0.41 118.68 123.63 3i3b s LEU 51 Ca 0.26 -1.98 -0.00 0.00 -0.22 0.00 0.00 54.13 52.19 3i3b s LEU 51 Cb 0.20 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3i3b s LEU 51 CO 0.50 -0.36 0.09 -0.13 -1.32 0.00 0.00 176.35 175.13 3i3b s ARG 52 N 0.97 3.08 -0.20 1.98 0.52 0.81 -4.72 118.95 121.39 3i3b s ARG 52 Ca 0.07 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 3i3b s ARG 52 Cb -0.20 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 3i3b s ARG 52 CO -0.07 0.64 0.19 0.45 0.02 0.00 0.00 175.30 176.53 3i3b s SER 53 N -1.80 6.25 -0.11 0.23 0.15 -1.26 0.24 113.70 117.40 3i3b s SER 53 Ca 0.24 0.28 0.17 0.00 0.70 0.00 0.00 55.95 57.33 3i3b s SER 53 Cb -0.12 -2.12 0.69 0.00 -1.71 0.00 0.00 66.02 62.76 3i3b s SER 53 CO 0.15 0.12 1.59 0.18 1.20 0.00 0.00 173.24 176.47 3i3b n LEU 54 N 3.78 4.55 -4.77 3.45 4.77 -0.29 -4.92 117.00 123.57 3i3b n LEU 54 Ca -0.14 -2.30 -0.38 0.00 -0.03 0.00 0.00 56.01 53.16 3i3b n LEU 54 Cb 0.52 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3i3b n LEU 54 CO 0.37 0.77 0.84 0.20 -1.33 0.00 0.00 177.39 178.24 3i3b s ASN 55 N -0.86 6.40 0.00 -1.43 0.01 -1.25 -4.87 114.94 112.95 3i3b s ASN 55 Ca 0.49 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.97 3i3b s ASN 55 Cb 0.31 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.36 3i3b s ASN 55 CO 0.23 -0.76 0.00 0.61 -1.51 0.00 0.00 177.10 175.68 3i3b n GLY 56 N 0.56 0.39 3.67 0.66 0.00 -0.79 -5.01 105.19 104.67 3i3b n GLY 56 Ca 0.05 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3i3b n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3b s GLU 57 N -2.00 4.33 0.53 1.61 2.02 -1.26 -1.28 118.70 122.65 3i3b s GLU 57 Ca 0.00 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.44 3i3b s GLU 57 Cb 0.00 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.62 3i3b s GLU 57 CO 0.00 -0.50 0.03 0.91 0.02 0.00 0.00 175.26 175.72 3i3b n TRP 58 N 5.73 1.08 -4.56 1.61 7.02 0.92 -4.95 117.44 124.30 3i3b n TRP 58 Ca 0.11 -2.57 -0.33 0.00 -1.02 0.00 0.00 57.50 53.68 3i3b n TRP 58 Cb 0.47 -0.36 -0.13 0.00 -2.42 0.00 0.00 31.31 28.88 3i3b n TRP 58 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3i3b s ARG 59 N -3.93 3.48 0.09 -0.99 1.81 -0.38 -1.39 118.95 117.64 3i3b s ARG 59 Ca 0.02 -0.58 0.07 0.00 -1.72 0.00 0.00 55.73 53.52 3i3b s ARG 59 Cb -0.00 -2.78 -0.03 0.00 -0.45 0.00 0.00 34.95 31.69 3i3b s ARG 59 CO 0.02 0.28 -0.18 0.12 -0.68 0.00 0.00 175.30 174.85 3i3b s PHE 60 N 0.23 1.58 -0.17 -0.53 5.36 0.11 -1.26 117.98 123.30 3i3b s PHE 60 Ca -0.05 -0.43 -0.09 0.00 -0.96 0.00 0.00 56.93 55.40 3i3b s PHE 60 Cb -0.14 -0.87 0.06 0.00 -0.34 0.00 0.00 43.02 41.72 3i3b s PHE 60 CO 0.04 0.15 0.41 0.00 -1.46 0.00 0.00 175.22 174.35 3i3b s ALA 61 N -1.18 -1.05 -0.07 11.12 0.00 -0.67 -0.51 121.76 129.40 3i3b s ALA 61 Ca 0.03 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.44 3i3b s ALA 61 Cb -0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3i3b s ALA 61 CO 0.03 -0.29 0.21 -0.46 0.00 0.00 0.00 175.76 175.26 3i3b s TRP 62 N 1.46 3.62 0.00 0.00 -0.00 -1.26 -0.22 118.94 122.55 3i3b s TRP 62 Ca -0.09 0.62 0.01 0.00 -0.00 0.00 0.00 56.10 56.64 3i3b s TRP 62 Cb -0.09 -2.01 -0.00 0.00 -0.00 0.00 0.00 33.47 31.37 3i3b s TRP 62 CO -0.13 0.70 -0.03 -0.06 -0.00 0.00 0.00 176.95 177.43 3i3b s PHE 63 N -1.10 0.28 0.49 5.86 0.08 -0.27 -4.99 117.98 118.33 3i3b s PHE 63 Ca 0.19 -0.09 0.41 0.00 0.12 0.00 0.00 56.93 57.56 3i3b s PHE 63 Cb -0.13 -0.18 2.11 0.00 -0.57 0.00 0.00 43.02 44.25 3i3b s PHE 63 CO 0.08 -0.02 2.25 -1.00 -0.10 0.00 0.00 175.22 176.44 3i3b h PRO 64 N 5.93 0.00 -2.63 0.24 0.13 -1.86 0.19 132.00 133.99 3i3b h PRO 64 Ca -0.27 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.89 3i3b h PRO 64 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3i3b h PRO 64 CO 0.50 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 178.60 3i3b s ALA 65 N -4.00 -1.70 0.40 -0.56 0.00 -1.20 -2.11 121.76 112.59 3i3b s ALA 65 Ca -0.03 0.76 0.31 0.00 0.00 0.00 0.00 51.96 53.00 3i3b s ALA 65 Cb 0.12 0.62 1.58 0.00 0.00 0.00 0.00 23.12 25.44 3i3b s ALA 65 CO 0.44 -0.71 2.10 -1.00 0.00 0.00 0.00 175.76 176.60 3i3b h PRO 66 N 2.06 0.00 0.00 0.00 0.13 -1.87 -1.83 132.00 130.50 3i3b h PRO 66 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3i3b h PRO 66 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3i3b h PRO 66 CO 0.35 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 3i3b n GLU 67 N -3.48 0.04 0.00 0.86 4.71 -1.26 -2.38 120.64 119.13 3i3b n GLU 67 Ca -0.02 0.19 0.13 0.00 -0.01 0.00 0.00 57.16 57.46 3i3b n GLU 67 Cb 0.22 -1.56 0.38 0.00 -1.01 0.00 0.00 31.44 29.47 3i3b n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i3b n ALA 68 N -1.55 2.69 -2.65 0.62 0.00 -0.69 -4.85 120.51 114.08 3i3b n ALA 68 Ca 0.05 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 3i3b n ALA 68 Cb 0.24 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3i3b n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i3b s VAL 69 N -2.11 4.69 0.19 0.00 1.01 -1.00 -5.00 120.40 118.18 3i3b s VAL 69 Ca 0.33 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 63.85 3i3b s VAL 69 Cb 0.20 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3i3b s VAL 69 CO 0.37 -0.21 1.39 -2.16 0.00 0.00 0.00 175.10 174.50 3i3b s PRO 70 N 3.18 4.32 0.57 2.72 0.04 -1.26 -4.91 135.00 139.67 3i3b s PRO 70 Ca 0.42 2.16 0.29 0.00 0.04 0.00 0.00 61.00 63.90 3i3b s PRO 70 Cb -0.15 -3.18 1.48 0.00 0.04 0.00 0.00 34.50 32.69 3i3b s PRO 70 CO 0.08 -0.38 1.92 1.49 0.04 0.00 0.00 177.00 180.15 3i3b h GLU 71 N 5.82 0.00 0.00 4.56 4.81 -1.98 -0.37 114.58 127.42 3i3b h GLU 71 Ca -0.44 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 3i3b h GLU 71 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 3i3b h GLU 71 CO 0.81 0.00 -0.15 0.66 -0.73 0.00 0.00 179.01 179.60 3i3b h SER 72 N 0.00 0.00 -0.51 1.04 4.64 -1.92 -2.94 113.55 113.86 3i3b h SER 72 Ca 0.24 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.66 3i3b h SER 72 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3i3b h SER 72 CO -0.00 0.15 0.35 -0.25 -0.87 0.00 0.00 176.83 176.21 3i3b h TRP 73 N 0.00 0.24 -0.32 4.77 7.01 -1.18 0.45 115.95 126.92 3i3b h TRP 73 Ca -0.00 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.95 3i3b h TRP 73 Cb 0.35 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 3i3b h TRP 73 CO 0.00 0.11 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.65 3i3b h LEU 74 N 0.23 0.48 0.00 0.65 3.38 -1.71 -3.33 115.31 115.00 3i3b h LEU 74 Ca 0.24 -0.10 -0.42 0.00 0.09 0.00 0.00 57.88 57.68 3i3b h LEU 74 Cb 0.64 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3i3b h LEU 74 CO -0.04 0.58 -2.51 -0.62 0.09 0.00 0.00 178.44 175.94 3i3b n GLU 75 N -4.25 0.63 -4.72 1.13 -0.58 -0.82 -3.34 120.64 108.68 3i3b n GLU 75 Ca 0.01 0.19 -0.26 0.00 -0.42 0.00 0.00 57.16 56.69 3i3b n GLU 75 Cb 0.27 -1.51 -0.14 0.00 -0.57 0.00 0.00 31.44 29.49 3i3b n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i3b n ASP 77 N 1.97 3.43 -4.70 0.00 2.03 -1.26 -3.96 116.55 114.06 3i3b n ASP 77 Ca -0.17 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.86 3i3b n ASP 77 Cb 0.53 -1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 3i3b n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i3b s LEU 78 N -0.22 4.34 0.38 -2.67 1.43 -1.26 -4.94 118.68 115.73 3i3b s LEU 78 Ca 0.66 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.50 3i3b s LEU 78 Cb -0.56 -3.57 0.74 0.00 0.03 0.00 0.00 46.19 42.84 3i3b s LEU 78 CO 0.49 -0.35 2.00 -0.65 0.23 0.00 0.00 176.35 178.07 3i3b h PRO 79 N 6.91 0.61 0.00 1.29 0.11 -2.01 -1.91 132.00 137.01 3i3b h PRO 79 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i3b h PRO 79 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i3b h PRO 79 CO 0.79 0.46 0.00 -0.85 -0.21 0.00 0.00 178.00 178.19 3i3b n GLU 80 N -4.42 0.24 -1.98 1.05 0.28 -1.26 -4.79 120.64 109.75 3i3b n GLU 80 Ca 0.04 0.13 -0.30 0.00 -0.16 0.00 0.00 57.16 56.87 3i3b n GLU 80 Cb 0.10 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.49 3i3b n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i3b s ALA 81 N -2.55 3.07 0.39 -1.84 0.00 -0.72 -4.93 121.76 115.19 3i3b s ALA 81 Ca 0.15 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.93 3i3b s ALA 81 Cb 0.11 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 3i3b s ALA 81 CO 0.24 -0.81 0.01 -0.51 0.00 0.00 0.00 175.76 174.68 3i3b s ASP 82 N -4.24 3.67 -0.35 0.00 1.01 0.33 -4.90 116.67 112.19 3i3b s ASP 82 Ca 0.55 -1.35 -0.12 0.00 0.71 0.00 0.00 52.55 52.34 3i3b s ASP 82 Cb -0.11 -0.35 0.01 0.00 1.01 0.00 0.00 42.92 43.47 3i3b s ASP 82 CO 0.52 -0.44 0.21 -0.89 0.21 0.00 0.00 175.17 174.78 3i3b s THR 83 N -2.78 4.84 0.28 -1.27 2.01 -1.26 0.06 115.64 117.52 3i3b s THR 83 Ca 0.35 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.88 3i3b s THR 83 Cb 0.09 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 3i3b s THR 83 CO 0.17 -0.11 -0.13 0.68 -0.69 0.00 0.00 174.62 174.55 3i3b s VAL 84 N 1.63 2.06 0.30 3.82 -7.23 -0.49 -4.91 120.40 115.58 3i3b s VAL 84 Ca 0.04 -2.25 -0.20 0.00 -1.81 0.00 0.00 61.98 57.77 3i3b s VAL 84 Cb -0.18 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 3i3b s VAL 84 CO 0.08 -0.37 0.80 -0.69 -0.31 0.00 0.00 175.10 174.61 3i3b s VAL 85 N -2.76 4.51 -0.00 1.32 1.01 -1.26 -0.06 120.40 123.17 3i3b s VAL 85 Ca 0.29 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3i3b s VAL 85 Cb -0.00 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 3i3b s VAL 85 CO 0.13 -0.01 -0.02 -0.69 0.00 0.00 0.00 175.10 174.51 3i3b s VAL 86 N -1.79 0.13 0.77 2.92 1.01 -0.40 -4.30 120.40 118.74 3i3b s VAL 86 Ca 0.51 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3i3b s VAL 86 Cb -0.14 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.18 3i3b s VAL 86 CO 0.19 0.02 1.14 -2.16 0.00 0.00 0.00 175.10 174.29 3i3b s PRO 87 N -0.09 2.03 0.00 2.72 0.04 -1.26 -1.88 135.00 136.56 3i3b s PRO 87 Ca 0.00 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3i3b s PRO 87 Cb -0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3i3b s PRO 87 CO -0.00 -1.86 0.00 -1.13 0.04 0.00 0.00 177.00 174.05 3i3b n SER 88 N -3.23 0.00 -4.68 6.66 3.41 0.04 -4.91 113.62 110.91 3i3b n SER 88 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.38 3i3b n SER 88 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 3i3b n SER 88 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3i3b s ASN 89 N 0.00 5.92 0.52 4.04 -0.87 -1.26 -3.27 114.94 120.02 3i3b s ASN 89 Ca 0.00 0.15 0.35 0.00 -1.57 0.00 0.00 52.86 51.79 3i3b s ASN 89 Cb 0.00 -2.03 1.68 0.00 -0.02 0.00 0.00 41.25 40.88 3i3b s ASN 89 CO 0.00 0.17 2.04 4.11 -2.57 0.00 0.00 177.10 180.86 3i3b h TRP 90 N 6.71 0.00 -0.13 2.20 0.09 -1.84 -1.15 115.95 121.83 3i3b h TRP 90 Ca -0.39 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.50 3i3b h TRP 90 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.39 3i3b h TRP 90 CO 0.57 0.00 -0.32 1.96 0.09 0.00 0.00 178.44 180.74 3i3b h GLN 91 N 0.00 0.26 0.00 0.12 7.50 -1.80 -2.01 115.11 119.18 3i3b h GLN 91 Ca 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.05 3i3b h GLN 91 Cb 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.75 3i3b h GLN 91 CO 0.00 0.56 0.00 -1.33 -1.50 0.00 0.00 178.83 176.56 3i3b n MET 92 N -4.10 0.10 -0.08 1.46 2.81 -0.43 -1.50 117.12 115.38 3i3b n MET 92 Ca -0.01 0.31 0.11 0.00 -1.81 0.00 0.00 57.70 56.29 3i3b n MET 92 Cb 0.42 -1.68 0.14 0.00 -0.71 0.00 0.00 33.22 31.39 3i3b n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3i3b n HIS 93 N -1.88 0.22 -0.96 2.03 8.25 -0.78 -4.98 115.22 117.13 3i3b n HIS 93 Ca 0.03 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3i3b n HIS 93 Cb 0.23 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3i3b n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3b n GLY 94 N 1.30 0.49 0.15 -1.41 0.00 -0.56 -4.95 105.19 100.21 3i3b n GLY 94 Ca 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 3i3b n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i3b h TYR 95 N 0.00 0.01 -3.20 1.61 0.05 -1.71 -3.47 116.97 110.26 3i3b h TYR 95 Ca 0.00 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3i3b h TYR 95 Cb 0.00 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3i3b h TYR 95 CO 0.00 0.56 0.18 0.16 -1.05 0.00 0.00 178.16 178.02 3i3b s ASP 96 N -6.87 0.13 -0.03 3.88 -4.77 -1.26 -5.05 116.67 102.69 3i3b s ASP 96 Ca -0.02 -1.15 -0.07 0.00 -3.30 0.00 0.00 52.55 48.01 3i3b s ASP 96 Cb 0.13 0.81 -0.04 0.00 -1.09 0.00 0.00 42.92 42.72 3i3b s ASP 96 CO 0.75 -1.59 0.23 0.00 0.70 0.00 0.00 175.17 175.26 3i3b s ALA 97 N -2.60 3.86 0.26 2.11 0.00 -1.26 -4.48 121.76 119.65 3i3b s ALA 97 Ca 0.18 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 3i3b s ALA 97 Cb -0.04 -2.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 3i3b s ALA 97 CO 0.12 0.64 1.02 -1.25 0.00 0.00 0.00 175.76 176.30 3i3b s PRO 98 N -1.51 4.74 -0.18 0.00 0.04 -1.26 -5.01 135.00 131.83 3i3b s PRO 98 Ca 0.23 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 3i3b s PRO 98 Cb -0.13 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 3i3b s PRO 98 CO 0.13 0.36 -0.05 0.42 0.04 0.00 0.00 177.00 177.89 3i3b s ILE 99 N -1.15 3.53 -0.44 0.56 1.01 -1.19 -4.62 121.20 118.91 3i3b s ILE 99 Ca 0.43 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 3i3b s ILE 99 Cb -0.29 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.71 3i3b s ILE 99 CO 0.37 0.47 0.29 -0.47 0.00 0.00 0.00 174.94 175.59 3i3b s TYR 100 N 0.84 3.37 0.04 3.97 5.04 -1.26 -0.18 117.35 129.17 3i3b s TYR 100 Ca -0.02 -1.67 0.06 0.00 -2.44 0.00 0.00 57.07 53.01 3i3b s TYR 100 Cb -0.15 -3.15 -0.02 0.00 0.35 0.00 0.00 41.96 38.99 3i3b s TYR 100 CO 0.01 -0.90 -0.18 -0.08 -1.34 0.00 0.00 175.55 173.06 3i3b s THR 101 N 1.40 1.44 0.00 4.34 -1.32 -1.26 -2.25 115.64 117.99 3i3b s THR 101 Ca 0.04 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 3i3b s THR 101 Cb -0.24 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.48 3i3b s THR 101 CO 0.01 0.12 0.00 -3.20 -2.21 0.00 0.00 174.62 169.34 3i3b n ASN 102 N 1.85 0.00 -0.13 8.08 5.15 -1.26 -3.93 115.26 125.01 3i3b n ASN 102 Ca -0.18 0.10 -0.27 0.00 -0.60 0.00 0.00 54.58 53.63 3i3b n ASN 102 Cb 0.54 -0.14 -0.10 0.00 -0.53 0.00 0.00 39.78 39.54 3i3b n ASN 102 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3i3b n VAL 103 N -1.19 1.53 -1.68 3.44 0.31 -1.26 -3.98 118.33 115.49 3i3b n VAL 103 Ca 0.00 -0.28 -0.44 0.00 -0.01 0.00 0.00 64.34 63.61 3i3b n VAL 103 Cb 0.00 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 3i3b n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i3b n THR 104 N -4.31 0.40 -1.71 2.52 -1.04 -1.26 -3.22 114.28 105.66 3i3b n THR 104 Ca -0.48 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.06 3i3b n THR 104 Cb 0.82 -2.01 0.03 0.00 -1.82 0.00 0.00 70.33 67.36 3i3b n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i3b n TYR 105 N 5.74 2.06 0.70 -1.42 4.01 -1.26 -4.86 117.16 122.13 3i3b n TYR 105 Ca 0.19 0.46 0.08 0.00 -0.16 0.00 0.00 57.90 58.48 3i3b n TYR 105 Cb 0.35 -2.35 0.40 0.00 -0.31 0.00 0.00 39.34 37.43 3i3b n TYR 105 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3i3b n PRO 106 N -0.50 0.12 -4.38 -0.72 -0.04 -1.26 -4.73 135.00 123.49 3i3b n PRO 106 Ca 0.09 0.17 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 3i3b n PRO 106 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 3i3b n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i3b s ILE 107 N -2.79 1.29 0.25 0.52 -4.36 -1.26 -5.05 121.20 109.79 3i3b s ILE 107 Ca 0.12 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.15 3i3b s ILE 107 Cb 0.11 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 41.31 3i3b s ILE 107 CO 0.29 -0.30 1.48 -0.89 0.24 0.00 0.00 174.94 175.76 3i3b s THR 108 N -3.25 2.56 -0.55 8.37 2.01 -1.26 -4.91 115.64 118.61 3i3b s THR 108 Ca 0.29 0.46 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 3i3b s THR 108 Cb 0.05 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.27 3i3b s THR 108 CO 0.10 0.07 1.51 -0.69 -0.69 0.00 0.00 174.62 174.93 3i3b s VAL 109 N 0.10 3.69 -0.46 3.82 1.01 -1.26 -4.78 120.40 122.52 3i3b s VAL 109 Ca 0.61 0.57 0.06 0.00 0.00 0.00 0.00 61.98 63.22 3i3b s VAL 109 Cb -0.43 -4.31 0.32 0.00 0.00 0.00 0.00 36.38 31.96 3i3b s VAL 109 CO 0.43 -1.09 1.11 -3.20 0.00 0.00 0.00 175.10 172.35 3i3b n ASN 110 N 10.11 -2.37 -4.61 3.32 5.15 -1.26 -5.13 115.26 120.47 3i3b n ASN 110 Ca 0.14 -3.68 -0.44 0.00 -0.60 0.00 0.00 54.58 50.01 3i3b n ASN 110 Cb 0.49 1.93 -0.01 0.00 -0.53 0.00 0.00 39.78 41.66 3i3b n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i3b n PRO 111 N 0.43 1.51 -0.79 1.20 -0.04 -1.26 -1.06 135.00 134.99 3i3b n PRO 111 Ca 0.06 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 64.12 3i3b n PRO 111 Cb 0.70 -1.96 0.38 0.00 -0.04 0.00 0.00 33.50 32.58 3i3b n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i3b n PRO 112 N 0.64 4.42 -2.64 0.54 -0.04 -1.26 -5.10 135.00 131.56 3i3b n PRO 112 Ca 0.08 -2.96 -0.36 0.00 -0.04 0.00 0.00 63.50 60.22 3i3b n PRO 112 Cb 0.33 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 3i3b n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3b s PHE 113 N -2.43 3.42 0.41 0.54 0.08 -0.22 -4.21 117.98 115.57 3i3b s PHE 113 Ca 0.52 1.69 0.06 0.00 0.12 0.00 0.00 56.93 59.31 3i3b s PHE 113 Cb 0.38 -3.05 -0.07 0.00 -0.57 0.00 0.00 43.02 39.71 3i3b s PHE 113 CO 0.18 -0.32 0.02 0.14 -0.10 0.00 0.00 175.22 175.14 3i3b s VAL 114 N -1.67 1.76 0.26 -0.44 -7.23 -1.26 -4.54 120.40 107.27 3i3b s VAL 114 Ca 0.55 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 3i3b s VAL 114 Cb -0.20 -2.84 -0.11 0.00 0.56 0.00 0.00 36.38 33.79 3i3b s VAL 114 CO 0.26 0.00 1.56 -2.84 -0.31 0.00 0.00 175.10 173.77 3i3b s PRO 115 N -3.76 4.18 0.58 4.82 0.02 -1.26 -4.86 135.00 134.72 3i3b s PRO 115 Ca 0.31 2.47 0.30 0.00 0.02 0.00 0.00 61.00 64.10 3i3b s PRO 115 Cb 0.09 -3.07 1.77 0.00 0.02 0.00 0.00 34.50 33.30 3i3b s PRO 115 CO 0.15 -0.58 2.22 1.79 -0.33 0.00 0.00 177.00 180.26 3i3b h THR 116 N 3.55 0.52 -2.43 0.99 1.35 -1.99 -2.99 112.91 111.91 3i3b h THR 116 Ca -0.46 -0.11 -0.76 0.00 -0.55 0.00 0.00 66.41 64.53 3i3b h THR 116 Cb 1.22 1.07 -0.20 0.00 -1.73 0.00 0.00 68.15 68.51 3i3b h THR 116 CO 0.82 0.03 1.20 1.21 -0.25 0.00 0.00 175.52 178.53 3i3b n GLU 117 N -3.78 3.48 -3.40 4.72 2.13 -1.26 -4.77 120.64 117.77 3i3b n GLU 117 Ca -0.03 -3.99 -0.44 0.00 0.66 0.00 0.00 57.16 53.36 3i3b n GLU 117 Cb 0.11 -2.89 -0.07 0.00 0.27 0.00 0.00 31.44 28.86 3i3b n GLU 117 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3i3b s ASN 118 N 2.07 6.09 0.07 4.31 3.84 -0.90 -4.92 114.94 125.51 3i3b s ASN 118 Ca 0.39 -1.47 -0.36 0.00 0.21 0.00 0.00 52.86 51.63 3i3b s ASN 118 Cb -0.03 -2.16 -0.16 0.00 -0.55 0.00 0.00 41.25 38.35 3i3b s ASN 118 CO -0.01 -0.69 1.45 -2.65 -2.79 0.00 0.00 177.10 172.41 3i3b n PRO 119 N 5.17 1.42 -4.54 0.43 -0.02 -1.23 -3.25 135.00 132.99 3i3b n PRO 119 Ca -0.12 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 3i3b n PRO 119 Cb 0.43 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.55 3i3b n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i3b s THR 120 N 0.94 1.80 -0.36 3.45 2.01 0.67 -1.63 115.64 122.53 3i3b s THR 120 Ca 0.84 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 3i3b s THR 120 Cb -0.89 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.01 3i3b s THR 120 CO 0.46 0.50 0.23 -0.83 -0.69 0.00 0.00 174.62 174.30 3i3b s GLY 121 N 0.93 1.95 -0.55 4.40 0.00 0.26 -1.11 107.32 113.21 3i3b s GLY 121 Ca -0.06 -1.53 -0.19 0.00 0.00 0.00 0.00 44.72 42.93 3i3b s GLY 121 CO -0.02 0.81 0.68 0.00 0.00 0.00 0.00 173.10 174.57 3i3b s TYR 123 N 2.78 3.54 -0.03 0.00 1.51 0.19 -1.67 117.35 123.68 3i3b s TYR 123 Ca 0.15 0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 56.41 3i3b s TYR 123 Cb -0.21 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 3i3b s TYR 123 CO 0.10 0.61 0.37 -1.54 -1.11 0.00 0.00 175.55 173.98 3i3b s SER 124 N -2.08 -0.27 -0.16 2.29 1.04 -0.39 -0.11 113.70 114.02 3i3b s SER 124 Ca 0.30 0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 3i3b s SER 124 Cb -0.13 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.42 3i3b s SER 124 CO 0.21 -0.46 0.38 -0.22 0.98 0.00 0.00 173.24 174.13 3i3b s LEU 125 N -1.23 -0.05 -0.27 2.42 2.96 -0.69 -1.25 118.68 120.56 3i3b s LEU 125 Ca -0.12 0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 3i3b s LEU 125 Cb -0.04 1.21 -0.05 0.00 0.50 0.00 0.00 46.19 47.81 3i3b s LEU 125 CO 0.05 -0.19 0.19 -0.89 -1.32 0.00 0.00 176.35 174.19 3i3b s THR 126 N 1.51 5.31 0.26 3.68 2.01 -1.26 -0.19 115.64 126.96 3i3b s THR 126 Ca -0.09 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.12 3i3b s THR 126 Cb -0.09 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 3i3b s THR 126 CO -0.12 0.26 0.12 0.72 -0.69 0.00 0.00 174.62 174.91 3i3b s PHE 127 N 1.67 1.47 0.08 4.92 -0.71 0.91 -4.92 117.98 121.40 3i3b s PHE 127 Ca 0.07 -1.26 -0.03 0.00 -1.04 0.00 0.00 56.93 54.67 3i3b s PHE 127 Cb -0.16 -0.82 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 3i3b s PHE 127 CO 0.10 -0.44 0.28 1.21 -1.34 0.00 0.00 175.22 175.03 3i3b s ASN 128 N -3.29 6.43 -0.15 1.98 2.47 -1.26 -0.08 114.94 121.04 3i3b s ASN 128 Ca 0.38 0.43 -0.04 0.00 0.42 0.00 0.00 52.86 54.05 3i3b s ASN 128 Cb 0.07 -2.03 0.07 0.00 -1.45 0.00 0.00 41.25 37.92 3i3b s ASN 128 CO 0.14 0.14 0.20 -0.69 -3.72 0.00 0.00 177.10 173.17 3i3b s VAL 129 N -1.53 -0.31 0.25 -5.21 1.01 0.06 -4.95 120.40 109.71 3i3b s VAL 129 Ca 0.36 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3i3b s VAL 129 Cb -0.13 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 3i3b s VAL 129 CO 0.25 -0.04 1.23 -1.81 0.00 0.00 0.00 175.10 174.73 3i3b s ASP 130 N 2.32 7.01 0.39 3.32 1.01 -1.26 -1.73 116.67 127.74 3i3b s ASP 130 Ca 0.04 2.40 0.21 0.00 0.71 0.00 0.00 52.55 55.91 3i3b s ASP 130 Cb -0.14 -2.62 1.21 0.00 1.01 0.00 0.00 42.92 42.37 3i3b s ASP 130 CO -0.09 -0.39 1.68 -0.08 0.21 0.00 0.00 175.17 176.50 3i3b h GLU 131 N 4.45 0.26 -0.33 8.23 4.57 -1.95 0.15 114.58 129.95 3i3b h GLU 131 Ca -0.46 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 57.80 3i3b h GLU 131 Cb 1.22 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 3i3b h GLU 131 CO 0.71 0.17 0.27 0.66 -1.18 0.00 0.00 179.01 179.64 3i3b h SER 132 N 0.27 0.00 1.39 1.04 4.64 -1.99 0.51 113.55 119.41 3i3b h SER 132 Ca 0.72 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.93 3i3b h SER 132 Cb 1.92 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.00 3i3b h SER 132 CO -0.44 0.00 -0.52 -0.50 -0.87 0.00 0.00 176.83 174.50 3i3b h TRP 133 N 0.00 0.00 -0.01 4.77 4.06 -1.01 -3.23 115.95 120.53 3i3b h TRP 133 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 3i3b h TRP 133 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 3i3b h TRP 133 CO 0.00 0.52 -0.62 1.28 -3.56 0.00 0.00 178.44 176.06 3i3b n LEU 134 N -3.27 1.23 -0.04 -4.49 4.77 0.01 -4.21 117.00 110.99 3i3b n LEU 134 Ca 0.02 -0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 55.41 3i3b n LEU 134 Cb 0.72 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 3i3b n LEU 134 CO 0.40 0.26 0.49 1.56 -1.33 0.00 0.00 177.39 178.77 3i3b h GLN 135 N 0.95 0.36 -4.80 3.23 1.08 -1.12 -3.47 115.11 111.34 3i3b h GLN 135 Ca 0.00 -0.25 -0.32 0.00 -1.45 0.00 0.00 58.65 56.63 3i3b h GLN 135 Cb 0.58 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.90 3i3b h GLN 135 CO 0.00 0.86 -0.62 -1.83 -0.95 0.00 0.00 178.83 176.29 3i3b s GLU 136 N -3.88 1.35 2.74 1.46 -1.05 -1.25 -5.12 118.70 112.94 3i3b s GLU 136 Ca -0.14 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 52.95 3i3b s GLU 136 Cb 0.04 -0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 3i3b s GLU 136 CO 0.77 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 177.06 3i3b n GLY 137 N -0.41 0.43 3.22 -3.83 0.00 -1.26 -4.79 105.19 98.55 3i3b n GLY 137 Ca 0.01 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 3i3b n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3b s GLN 138 N 0.00 3.06 -0.26 1.61 0.74 0.32 -4.84 119.66 120.29 3i3b s GLN 138 Ca 0.00 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.50 3i3b s GLN 138 Cb 0.00 -2.31 0.01 0.00 1.10 0.00 0.00 33.01 31.81 3i3b s GLN 138 CO 0.00 0.18 -0.01 0.99 -0.55 0.00 0.00 175.29 175.89 3i3b s THR 139 N 0.35 3.34 0.25 -0.34 2.01 -1.26 -0.73 115.64 119.27 3i3b s THR 139 Ca -0.18 -0.78 0.12 0.00 0.31 0.00 0.00 61.69 61.15 3i3b s THR 139 Cb -0.18 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3i3b s THR 139 CO 0.09 0.22 -0.21 0.00 -0.69 0.00 0.00 174.62 174.03 3i3b s ARG 140 N 1.42 1.63 -0.06 4.92 1.70 0.21 -0.93 118.95 127.85 3i3b s ARG 140 Ca 0.02 -1.70 0.03 0.00 -0.47 0.00 0.00 55.73 53.62 3i3b s ARG 140 Cb -0.16 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 3i3b s ARG 140 CO -0.02 0.35 -0.13 -1.50 -1.08 0.00 0.00 175.30 172.92 3i3b s ILE 141 N -2.27 3.21 -0.14 4.99 2.07 -0.29 -0.29 121.20 128.46 3i3b s ILE 141 Ca 0.27 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 58.86 3i3b s ILE 141 Cb -0.06 -2.27 0.01 0.00 0.13 0.00 0.00 42.46 40.27 3i3b s ILE 141 CO 0.13 0.59 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.92 3i3b s ILE 142 N -0.73 1.95 -0.44 2.00 1.01 0.12 -1.64 121.20 123.48 3i3b s ILE 142 Ca 0.11 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3i3b s ILE 142 Cb -0.11 -1.74 0.10 0.00 0.01 0.00 0.00 42.46 40.72 3i3b s ILE 142 CO 0.01 0.53 0.29 -0.36 0.00 0.00 0.00 174.94 175.40 3i3b s PHE 143 N 0.97 3.40 0.45 3.97 0.40 -0.25 -0.97 117.98 125.95 3i3b s PHE 143 Ca -0.04 -1.76 0.20 0.00 -0.60 0.00 0.00 56.93 54.74 3i3b s PHE 143 Cb -0.15 -3.21 1.24 0.00 0.51 0.00 0.00 43.02 41.41 3i3b s PHE 143 CO -0.05 -0.92 2.05 -0.44 0.70 0.00 0.00 175.22 176.56 3i3b h ASP 144 N 8.39 0.00 -1.45 1.36 3.32 -1.30 0.53 116.42 127.28 3i3b h ASP 144 Ca -0.21 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.95 3i3b h ASP 144 Cb 1.08 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.41 3i3b h ASP 144 CO 0.80 0.14 -0.05 -0.83 -1.72 0.00 0.00 179.24 177.57 3i3b s GLY 145 N -4.18 -0.62 -0.11 2.75 0.00 -1.26 -3.35 107.32 100.55 3i3b s GLY 145 Ca -0.04 2.45 -0.01 0.00 0.00 0.00 0.00 44.72 47.13 3i3b s GLY 145 CO 0.64 3.22 -0.04 0.14 0.00 0.00 0.00 173.10 177.07 3i3b s VAL 146 N 2.78 0.73 -0.34 1.40 1.01 -1.25 -2.28 120.40 122.45 3i3b s VAL 146 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3i3b s VAL 146 Cb -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3i3b s VAL 146 CO -0.19 0.27 0.21 0.21 0.00 0.00 0.00 175.10 175.61 3i3b s ASN 147 N 1.82 5.86 0.00 3.32 3.84 -0.09 -4.03 114.94 125.66 3i3b s ASN 147 Ca 0.04 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 52.55 3i3b s ASN 147 Cb -0.13 -2.08 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 3i3b s ASN 147 CO -0.07 -0.26 0.00 -1.54 -2.79 0.00 0.00 177.10 172.44 3i3b n SER 148 N 5.06 0.66 -3.76 -4.21 3.41 -0.60 -1.18 113.62 112.99 3i3b n SER 148 Ca -0.13 -0.40 -0.12 0.00 -0.26 0.00 0.00 58.87 57.96 3i3b n SER 148 Cb 0.49 0.94 -0.08 0.00 -0.26 0.00 0.00 64.21 65.30 3i3b n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b s ALA 149 N -1.07 -0.72 0.12 7.33 0.00 -1.11 -3.45 121.76 122.87 3i3b s ALA 149 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 3i3b s ALA 149 Cb 0.00 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.40 3i3b s ALA 149 CO 0.00 -0.34 0.63 -0.59 0.00 0.00 0.00 175.76 175.46 3i3b s PHE 150 N -1.97 -0.54 0.02 0.00 -0.71 -0.74 0.49 117.98 114.52 3i3b s PHE 150 Ca -0.09 0.43 0.06 0.00 -1.04 0.00 0.00 56.93 56.29 3i3b s PHE 150 Cb -0.03 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3i3b s PHE 150 CO 0.00 -0.80 -0.16 -1.01 -1.34 0.00 0.00 175.22 171.91 3i3b s HIS 151 N -3.37 2.63 -0.04 3.49 3.76 -0.74 -1.75 115.29 119.26 3i3b s HIS 151 Ca -0.00 -0.21 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 3i3b s HIS 151 Cb -0.01 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3i3b s HIS 151 CO -0.10 0.25 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.64 3i3b s LEU 152 N -1.27 2.03 0.02 0.89 2.96 -0.09 -1.55 118.68 121.66 3i3b s LEU 152 Ca 0.14 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3i3b s LEU 152 Cb -0.11 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3i3b s LEU 152 CO 0.04 0.24 -0.12 0.26 -1.32 0.00 0.00 176.35 175.45 3i3b s TRP 153 N -0.24 1.06 -0.12 5.38 0.51 -0.03 0.86 118.94 126.37 3i3b s TRP 153 Ca 0.00 -0.29 -0.01 0.00 -2.12 0.00 0.00 56.10 53.69 3i3b s TRP 153 Cb -0.12 -0.65 0.03 0.00 -0.81 0.00 0.00 33.47 31.92 3i3b s TRP 153 CO 0.02 0.00 -0.05 0.00 -0.51 0.00 0.00 176.95 176.41 3i3b n ASN 155 N 4.98 -4.77 0.00 0.00 3.02 0.94 -1.29 115.26 118.14 3i3b n ASN 155 Ca -0.11 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3i3b n ASN 155 Cb 0.49 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 3i3b n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3b n GLY 156 N -1.75 1.23 3.59 7.41 0.00 -1.21 -5.01 105.19 109.45 3i3b n GLY 156 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3i3b n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3b s ARG 157 N -0.01 3.88 0.03 1.61 0.52 -0.41 -4.95 118.95 119.62 3i3b s ARG 157 Ca 0.00 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 3i3b s ARG 157 Cb 0.00 -3.14 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 3i3b s ARG 157 CO 0.00 0.24 1.68 -0.46 0.02 0.00 0.00 175.30 176.78 3i3b s TRP 158 N 0.43 2.17 -0.07 -0.53 -0.00 -1.26 -0.15 118.94 119.53 3i3b s TRP 158 Ca 0.01 0.21 -0.06 0.00 -0.00 0.00 0.00 56.10 56.26 3i3b s TRP 158 Cb -0.13 -3.97 -0.02 0.00 -0.00 0.00 0.00 33.47 29.35 3i3b s TRP 158 CO 0.01 -4.02 -0.11 0.28 -0.00 0.00 0.00 176.95 173.11 3i3b n VAL 159 N 5.04 0.60 -2.90 5.86 0.31 0.25 -4.91 118.33 122.59 3i3b n VAL 159 Ca 0.17 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 3i3b n VAL 159 Cb 0.41 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 3i3b n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3b n GLY 160 N 1.59 2.04 3.15 2.92 0.00 -1.14 -4.78 105.19 108.97 3i3b n GLY 160 Ca -0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3i3b n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i3b s TYR 161 N -7.42 0.83 -0.06 1.61 5.04 -0.48 -0.92 117.35 115.96 3i3b s TYR 161 Ca 0.00 -0.87 -0.31 0.00 -2.44 0.00 0.00 57.07 53.45 3i3b s TYR 161 Cb 0.00 -0.49 0.07 0.00 0.35 0.00 0.00 41.96 41.89 3i3b s TYR 161 CO 0.00 -0.16 0.69 0.20 -1.34 0.00 0.00 175.55 174.94 3i3b s GLY 162 N -2.83 -0.57 0.32 8.97 0.00 -0.72 -1.92 107.32 110.57 3i3b s GLY 162 Ca 0.08 1.35 0.04 0.00 0.00 0.00 0.00 44.72 46.19 3i3b s GLY 162 CO -0.04 0.98 0.18 1.20 0.00 0.00 0.00 173.10 175.41 3i3b s GLN 163 N -1.15 1.65 0.00 2.90 -0.21 -0.64 -1.79 119.66 120.42 3i3b s GLN 163 Ca -0.11 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 53.32 3i3b s GLN 163 Cb -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.94 3i3b s GLN 163 CO 0.10 -0.49 0.00 -3.47 -2.12 0.00 0.00 175.29 169.31 3i3b n ASP 164 N -1.07 -1.94 0.01 5.90 -0.08 -1.22 -4.93 116.55 113.21 3i3b n ASP 164 Ca 0.01 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.35 3i3b n ASP 164 Cb 0.64 -0.97 0.27 0.00 2.34 0.00 0.00 41.12 43.40 3i3b n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3i3b n SER 165 N 0.00 0.07 -0.44 1.67 7.64 -1.26 -3.69 113.62 117.61 3i3b n SER 165 Ca 0.00 0.52 0.08 0.00 1.01 0.00 0.00 58.87 60.48 3i3b n SER 165 Cb 0.00 -0.53 0.18 0.00 -1.01 0.00 0.00 64.21 62.84 3i3b n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i3b n ARG 166 N -1.58 2.23 -3.96 1.43 5.12 -1.26 -3.89 116.66 114.75 3i3b n ARG 166 Ca 0.03 -2.54 -0.10 0.00 -1.93 0.00 0.00 57.85 53.30 3i3b n ARG 166 Cb 0.14 -1.57 -0.12 0.00 -1.16 0.00 0.00 32.46 29.75 3i3b n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i3b s LEU 167 N -2.53 2.19 0.46 0.55 1.43 -1.24 -4.36 118.68 115.17 3i3b s LEU 167 Ca 0.32 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.78 3i3b s LEU 167 Cb 0.27 0.06 -0.08 0.00 0.03 0.00 0.00 46.19 46.47 3i3b s LEU 167 CO 0.06 -0.23 1.38 -2.16 0.23 0.00 0.00 176.35 175.64 3i3b s PRO 168 N -1.14 3.66 -0.17 1.29 0.04 -1.21 -4.56 135.00 132.91 3i3b s PRO 168 Ca -0.12 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.25 3i3b s PRO 168 Cb -0.08 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.88 3i3b s PRO 168 CO -0.01 -0.80 -0.17 -1.12 0.04 0.00 0.00 177.00 174.95 3i3b s SER 169 N -0.65 3.02 -0.02 6.66 0.01 0.18 -4.95 113.70 117.96 3i3b s SER 169 Ca 0.62 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 57.29 3i3b s SER 169 Cb -0.42 -1.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 3i3b s SER 169 CO 0.53 -0.04 -0.11 -1.61 0.41 0.00 0.00 173.24 172.42 3i3b s GLU 170 N 1.36 2.48 0.02 12.44 2.02 -1.26 -1.09 118.70 134.66 3i3b s GLU 170 Ca 0.04 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.32 3i3b s GLU 170 Cb -0.13 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 3i3b s GLU 170 CO -0.12 0.61 -0.07 -0.06 0.02 0.00 0.00 175.26 175.65 3i3b s PHE 171 N -0.87 0.57 -0.36 1.61 0.08 -0.65 -0.51 117.98 117.86 3i3b s PHE 171 Ca 0.14 -0.26 -0.24 0.00 0.12 0.00 0.00 56.93 56.69 3i3b s PHE 171 Cb -0.11 -0.36 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 3i3b s PHE 171 CO 0.04 -0.04 0.83 0.34 -0.10 0.00 0.00 175.22 176.29 3i3b s ASP 172 N -0.73 6.60 0.00 1.36 -1.08 -1.26 -1.14 116.67 120.41 3i3b s ASP 172 Ca -0.03 0.44 0.19 0.00 -0.52 0.00 0.00 52.55 52.63 3i3b s ASP 172 Cb -0.05 -2.42 0.49 0.00 -1.46 0.00 0.00 42.92 39.47 3i3b s ASP 172 CO 0.00 -0.77 1.41 0.18 0.52 0.00 0.00 175.17 176.51 3i3b n LEU 173 N 6.53 3.50 -0.25 -1.34 4.77 -0.11 -4.66 117.00 125.45 3i3b n LEU 173 Ca 0.04 -1.85 0.05 0.00 -0.03 0.00 0.00 56.01 54.23 3i3b n LEU 173 Cb 0.48 -0.35 0.17 0.00 -2.33 0.00 0.00 43.42 41.39 3i3b n LEU 173 CO 0.55 0.84 0.88 0.28 -1.33 0.00 0.00 177.39 178.61 3i3b h SER 174 N 3.65 -0.16 -0.10 -1.43 0.02 -1.85 0.24 113.55 113.92 3i3b h SER 174 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3i3b h SER 174 Cb 0.90 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3i3b h SER 174 CO 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 3i3b n ALA 175 N -2.78 2.56 -0.02 3.77 0.00 -1.26 -3.96 120.51 118.81 3i3b n ALA 175 Ca 0.14 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.19 3i3b n ALA 175 Cb 0.47 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 3i3b n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i3b n PHE 176 N -0.01 0.00 -1.96 0.00 3.01 -0.03 -5.04 117.46 113.43 3i3b n PHE 176 Ca 0.17 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.32 3i3b n PHE 176 Cb 0.27 -0.35 0.02 0.00 -0.01 0.00 0.00 39.48 39.41 3i3b n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i3b s LEU 177 N -4.14 3.17 0.04 4.37 1.43 -0.59 -4.77 118.68 118.19 3i3b s LEU 177 Ca -0.05 1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.28 3i3b s LEU 177 Cb 0.06 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 3i3b s LEU 177 CO 0.46 -0.99 0.07 0.00 0.23 0.00 0.00 176.35 176.12 3i3b s ARG 178 N -5.18 0.58 0.42 1.70 1.70 -1.26 -5.03 118.95 111.88 3i3b s ARG 178 Ca 0.55 -0.84 -0.26 0.00 -0.47 0.00 0.00 55.73 54.71 3i3b s ARG 178 Cb -0.11 0.22 -0.09 0.00 -0.57 0.00 0.00 34.95 34.41 3i3b s ARG 178 CO 0.52 -0.14 1.38 0.00 -1.08 0.00 0.00 175.30 175.98 3i3b s ALA 179 N -2.84 3.28 0.00 7.88 0.00 -1.26 -4.53 121.76 124.30 3i3b s ALA 179 Ca -0.03 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3i3b s ALA 179 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3i3b s ALA 179 CO -0.06 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3i3b n GLY 180 N 0.61 1.30 3.89 0.00 0.00 -0.70 -4.92 105.19 105.36 3i3b n GLY 180 Ca 0.04 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 3i3b n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3b s GLU 181 N 0.00 3.49 0.06 1.61 2.02 -1.26 -0.76 118.70 123.85 3i3b s GLU 181 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.82 3i3b s GLU 181 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3i3b s GLU 181 CO 0.00 0.71 -0.05 -0.80 0.02 0.00 0.00 175.26 175.14 3i3b s ASN 182 N -1.54 0.69 -0.09 -0.19 0.01 0.89 -4.80 114.94 109.92 3i3b s ASN 182 Ca 0.23 -0.90 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 3i3b s ASN 182 Cb -0.13 0.14 0.02 0.00 0.41 0.00 0.00 41.25 41.70 3i3b s ASN 182 CO 0.13 -0.49 -0.07 -0.60 -1.51 0.00 0.00 177.10 174.56 3i3b s ARG 183 N -3.39 1.31 0.15 -0.60 3.52 -1.26 -0.06 118.95 118.62 3i3b s ARG 183 Ca 0.04 -0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.37 3i3b s ARG 183 Cb 0.03 -1.34 -0.06 0.00 -1.56 0.00 0.00 34.95 32.03 3i3b s ARG 183 CO -0.06 -0.18 0.42 -0.51 -0.81 0.00 0.00 175.30 174.15 3i3b s LEU 184 N 1.42 4.26 -0.17 -0.88 1.43 0.73 -0.04 118.68 125.42 3i3b s LEU 184 Ca -0.01 0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 53.73 3i3b s LEU 184 Cb -0.13 -3.34 0.06 0.00 0.03 0.00 0.00 46.19 42.80 3i3b s LEU 184 CO -0.04 0.04 0.07 0.00 0.23 0.00 0.00 176.35 176.65 3i3b s ALA 185 N -1.65 0.59 -0.23 4.21 0.00 0.16 -1.71 121.76 123.13 3i3b s ALA 185 Ca 0.41 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 3i3b s ALA 185 Cb -0.12 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3i3b s ALA 185 CO 0.23 -1.13 -0.10 0.08 0.00 0.00 0.00 175.76 174.84 3i3b s VAL 186 N 2.05 2.63 -0.51 0.00 1.01 0.84 -0.85 120.40 125.57 3i3b s VAL 186 Ca 0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3i3b s VAL 186 Cb -0.16 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.05 3i3b s VAL 186 CO -0.08 0.31 0.47 -0.32 0.00 0.00 0.00 175.10 175.47 3i3b s MET 187 N 1.31 2.99 -0.24 2.72 1.75 -0.60 -0.63 119.30 126.60 3i3b s MET 187 Ca 0.01 -1.52 -0.18 0.00 -1.25 0.00 0.00 55.69 52.76 3i3b s MET 187 Cb -0.16 -4.22 -0.03 0.00 2.84 0.00 0.00 34.83 33.26 3i3b s MET 187 CO -0.07 -1.21 0.52 0.08 -0.65 0.00 0.00 175.02 173.69 3i3b s VAL 188 N 1.70 5.08 -0.13 10.11 1.01 0.05 -1.80 120.40 136.42 3i3b s VAL 188 Ca 0.04 0.91 -0.15 0.00 0.00 0.00 0.00 61.98 62.78 3i3b s VAL 188 Cb -0.27 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3i3b s VAL 188 CO 0.05 0.11 0.37 -0.76 0.00 0.00 0.00 175.10 174.87 3i3b s LEU 189 N 2.11 4.28 0.07 3.92 1.43 0.18 -0.57 118.68 130.10 3i3b s LEU 189 Ca 0.22 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 53.80 3i3b s LEU 189 Cb -0.16 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.45 3i3b s LEU 189 CO 0.09 0.09 1.42 -0.09 0.23 0.00 0.00 176.35 178.10 3i3b h ARG 190 N 6.44 0.44 -6.33 1.70 2.43 -1.55 -1.55 114.38 115.96 3i3b h ARG 190 Ca -0.42 -0.19 -0.68 0.00 -0.81 0.00 0.00 59.98 57.87 3i3b h ARG 190 Cb 1.18 -0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.52 3i3b h ARG 190 CO 0.74 0.72 -0.73 -1.58 -1.51 0.00 0.00 179.97 177.61 3i3b s TRP 191 N -4.58 2.79 0.31 2.20 0.52 -1.26 -3.99 118.94 114.94 3i3b s TRP 191 Ca -0.14 -0.09 -0.17 0.00 0.02 0.00 0.00 56.10 55.72 3i3b s TRP 191 Cb 0.07 -1.60 0.03 0.00 -1.15 0.00 0.00 33.47 30.81 3i3b s TRP 191 CO 0.76 0.30 0.69 -1.54 0.02 0.00 0.00 176.95 177.18 3i3b s SER 192 N -1.17 -0.07 0.61 2.95 1.04 -1.26 -4.92 113.70 110.88 3i3b s SER 192 Ca 0.15 -0.89 0.39 0.00 0.48 0.00 0.00 55.95 56.07 3i3b s SER 192 Cb -0.11 0.74 2.11 0.00 0.10 0.00 0.00 66.02 68.87 3i3b s SER 192 CO 0.05 -1.43 2.19 -2.24 0.98 0.00 0.00 173.24 172.79 3i3b h ASP 193 N 2.05 0.00 1.19 7.02 3.04 -0.65 0.30 116.42 129.36 3i3b h ASP 193 Ca -0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 3i3b h ASP 193 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 3i3b h ASP 193 CO 0.32 0.00 0.00 1.23 -2.04 0.00 0.00 179.24 178.75 3i3b h GLY 194 N 0.00 0.00 2.00 7.15 0.00 -1.93 -2.86 103.07 107.43 3i3b h GLY 194 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3i3b h GLY 194 CO 0.00 0.00 -0.22 1.76 0.00 0.00 0.00 176.54 178.08 3i3b h SER 195 N 0.00 0.00 0.72 0.19 0.02 -0.77 -2.19 113.55 111.52 3i3b h SER 195 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i3b h SER 195 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3i3b h SER 195 CO 0.00 0.22 0.00 1.88 -1.14 0.00 0.00 176.83 177.79 3i3b h TYR 196 N 0.00 0.00 -0.45 3.45 0.05 -1.64 -2.07 116.97 116.31 3i3b h TYR 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3i3b h TYR 196 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 3i3b h TYR 196 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 3i3b n LEU 197 N -3.04 3.96 -2.76 3.88 4.77 -0.83 -4.32 117.00 118.65 3i3b n LEU 197 Ca -0.00 -2.47 -0.16 0.00 -0.03 0.00 0.00 56.01 53.35 3i3b n LEU 197 Cb 0.24 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3i3b n LEU 197 CO 0.25 0.75 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.37 3i3b n GLU 198 N 0.48 1.69 -1.67 3.23 1.02 -0.78 -1.38 120.64 123.23 3i3b n GLU 198 Ca 0.20 -3.64 -0.38 0.00 -0.02 0.00 0.00 57.16 53.33 3i3b n GLU 198 Cb 0.75 -1.61 0.05 0.00 -0.02 0.00 0.00 31.44 30.62 3i3b n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i3b n ASP 199 N -0.08 7.59 -4.77 1.62 2.03 -0.09 -4.97 116.55 117.88 3i3b n ASP 199 Ca 0.20 -3.80 -0.39 0.00 0.52 0.00 0.00 54.79 51.31 3i3b n ASP 199 Cb 0.72 -1.04 -0.04 0.00 -0.72 0.00 0.00 41.12 40.05 3i3b n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3i3b s GLN 200 N -3.92 4.41 -1.04 -0.67 1.11 -1.26 -4.51 119.66 113.78 3i3b s GLN 200 Ca 0.57 1.81 -0.24 0.00 0.01 0.00 0.00 55.36 57.51 3i3b s GLN 200 Cb 0.47 -2.97 -0.10 0.00 -1.01 0.00 0.00 33.01 29.40 3i3b s GLN 200 CO -0.25 0.01 2.02 0.34 0.01 0.00 0.00 175.29 177.41 3i3b s ASP 201 N -1.00 4.70 0.24 5.90 2.15 -1.26 -4.76 116.67 122.63 3i3b s ASP 201 Ca 0.50 -1.08 -0.21 0.00 0.43 0.00 0.00 52.55 52.19 3i3b s ASP 201 Cb -0.31 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 39.80 3i3b s ASP 201 CO 0.40 -3.32 0.96 0.00 -0.17 0.00 0.00 175.17 173.04 3i3b s MET 202 N 7.19 1.55 0.23 4.34 0.23 -1.25 -5.00 119.30 126.59 3i3b s MET 202 Ca 0.73 -0.99 -0.30 0.00 -1.03 0.00 0.00 55.69 54.11 3i3b s MET 202 Cb -0.04 0.44 -0.10 0.00 -1.53 0.00 0.00 34.83 33.60 3i3b s MET 202 CO 0.09 -0.73 1.40 -1.58 -2.03 0.00 0.00 175.02 172.17 3i3b s TRP 203 N -2.33 3.10 -0.54 3.16 0.52 -1.26 -4.16 118.94 117.43 3i3b s TRP 203 Ca 0.19 1.09 -0.19 0.00 0.02 0.00 0.00 56.10 57.21 3i3b s TRP 203 Cb -0.03 -3.75 0.07 0.00 -1.15 0.00 0.00 33.47 28.61 3i3b s TRP 203 CO 0.07 -2.42 0.65 1.03 0.02 0.00 0.00 176.95 176.30 3i3b s ARG 204 N -0.29 3.09 0.00 4.98 1.81 0.75 -4.94 118.95 124.35 3i3b s ARG 204 Ca 0.58 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 3i3b s ARG 204 Cb -0.40 -4.16 0.00 0.00 -0.45 0.00 0.00 34.95 29.94 3i3b s ARG 204 CO 0.42 -1.34 0.00 -1.33 -0.68 0.00 0.00 175.30 172.37 3i3b n MET 205 N 6.22 2.50 -3.64 3.54 2.81 -1.26 -3.15 117.12 124.14 3i3b n MET 205 Ca -0.08 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.78 3i3b n MET 205 Cb 0.44 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.94 3i3b n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i3b s SER 206 N -0.44 -0.19 0.00 7.83 1.04 -1.26 -4.84 113.70 115.84 3i3b s SER 206 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3i3b s SER 206 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3i3b s SER 206 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3i3b n GLY 207 N -0.37 0.48 3.46 7.32 0.00 -0.33 -2.25 105.19 113.51 3i3b n GLY 207 Ca -0.06 -2.32 -0.44 0.00 0.00 0.00 0.00 46.02 43.20 3i3b n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3b s ILE 208 N -0.47 5.03 -2.20 -0.61 1.01 -1.20 -0.91 121.20 121.84 3i3b s ILE 208 Ca 0.00 -2.58 0.29 0.00 0.00 0.00 0.00 60.65 58.36 3i3b s ILE 208 Cb 0.00 -4.89 0.62 0.00 0.01 0.00 0.00 42.46 38.20 3i3b s ILE 208 CO 0.00 -1.60 1.88 2.22 0.00 0.00 0.00 174.94 177.44 3i3b n PHE 209 N 5.65 0.00 -4.42 3.97 -1.74 -0.97 -0.78 117.46 119.17 3i3b n PHE 209 Ca 0.35 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 57.04 3i3b n PHE 209 Cb 0.43 -0.03 -0.10 0.00 1.52 0.00 0.00 39.48 41.30 3i3b n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3i3b s ARG 210 N -2.09 1.57 0.48 3.97 0.52 -1.17 -4.41 118.95 117.82 3i3b s ARG 210 Ca 0.39 -1.85 -0.22 0.00 -0.52 0.00 0.00 55.73 53.52 3i3b s ARG 210 Cb 0.21 -0.81 -0.09 0.00 0.52 0.00 0.00 34.95 34.78 3i3b s ARG 210 CO 0.37 -0.16 0.91 -0.25 0.02 0.00 0.00 175.30 176.20 3i3b n ASP 211 N -0.62 0.74 -4.33 0.23 8.00 -1.26 -4.40 116.55 114.91 3i3b n ASP 211 Ca -0.03 0.94 -0.31 0.00 0.71 0.00 0.00 54.79 56.10 3i3b n ASP 211 Cb 0.66 -1.32 -0.16 0.00 -0.02 0.00 0.00 41.12 40.28 3i3b n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i3b s VAL 212 N -1.39 2.23 0.19 2.53 1.01 -1.26 -0.97 120.40 122.75 3i3b s VAL 212 Ca 0.67 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 3i3b s VAL 212 Cb -0.52 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3i3b s VAL 212 CO 0.54 0.58 0.41 -0.94 0.00 0.00 0.00 175.10 175.70 3i3b s SER 213 N -0.54 -0.09 -0.15 3.32 1.04 -0.14 -1.14 113.70 116.00 3i3b s SER 213 Ca 0.08 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.78 3i3b s SER 213 Cb -0.11 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3i3b s SER 213 CO 0.00 -1.01 -0.21 -0.22 0.98 0.00 0.00 173.24 172.78 3i3b s LEU 214 N -2.95 2.09 -0.06 2.42 2.96 0.14 0.15 118.68 123.43 3i3b s LEU 214 Ca 0.16 -0.60 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3i3b s LEU 214 Cb 0.01 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3i3b s LEU 214 CO 0.01 0.06 -0.25 -0.22 -1.32 0.00 0.00 176.35 174.63 3i3b s LEU 215 N 0.92 2.09 -0.21 -0.68 2.96 0.60 -0.13 118.68 124.23 3i3b s LEU 215 Ca -0.05 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3i3b s LEU 215 Cb -0.15 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3i3b s LEU 215 CO -0.04 0.24 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.93 3i3b s HIS 216 N -0.14 3.00 0.14 5.38 5.65 0.46 -0.61 115.29 129.17 3i3b s HIS 216 Ca -0.04 -0.61 0.10 0.00 0.25 0.00 0.00 55.06 54.76 3i3b s HIS 216 Cb -0.14 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 29.13 3i3b s HIS 216 CO 0.04 -0.34 -0.24 0.15 -0.65 0.00 0.00 174.74 173.70 3i3b s LYS 217 N 1.16 1.37 0.83 2.88 -0.14 0.09 -4.76 119.74 121.17 3i3b s LYS 217 Ca 0.03 -1.37 -0.11 0.00 -1.36 0.00 0.00 55.97 53.16 3i3b s LYS 217 Cb -0.14 -1.74 0.09 0.00 -1.68 0.00 0.00 37.83 34.36 3i3b s LYS 217 CO 0.01 0.40 1.09 -2.14 -0.76 0.00 0.00 175.35 173.94 3i3b s PRO 218 N -2.26 1.82 0.20 -1.68 0.02 -1.26 -0.53 135.00 131.31 3i3b s PRO 218 Ca 0.14 0.84 -0.08 0.00 0.02 0.00 0.00 61.00 61.92 3i3b s PRO 218 Cb -0.09 -1.87 0.13 0.00 0.02 0.00 0.00 34.50 32.69 3i3b s PRO 218 CO 0.07 -1.86 1.75 1.15 -0.33 0.00 0.00 177.00 177.78 3i3b h THR 219 N -1.27 1.26 -3.35 0.99 2.02 -1.93 -3.33 112.91 107.30 3i3b h THR 219 Ca -0.47 -0.87 -0.70 0.00 0.77 0.00 0.00 66.41 65.14 3i3b h THR 219 Cb 1.26 0.42 -0.19 0.00 -1.74 0.00 0.00 68.15 67.90 3i3b h THR 219 CO 0.56 0.35 -0.13 -0.89 0.37 0.00 0.00 175.52 175.77 3i3b s THR 220 N -5.46 5.03 0.25 3.16 2.01 -1.26 -4.10 115.64 115.27 3i3b s THR 220 Ca -0.12 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3i3b s THR 220 Cb 0.15 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3i3b s THR 220 CO 0.84 -0.64 0.08 0.00 -0.69 0.00 0.00 174.62 174.22 3i3b s GLN 221 N 2.22 1.39 -0.32 4.92 -2.07 -0.81 -4.87 119.66 120.12 3i3b s GLN 221 Ca 0.11 -1.74 -0.22 0.00 -1.82 0.00 0.00 55.36 51.68 3i3b s GLN 221 Cb -0.20 -0.29 -0.00 0.00 -1.09 0.00 0.00 33.01 31.43 3i3b s GLN 221 CO 0.11 -0.27 0.74 0.42 -1.32 0.00 0.00 175.29 174.96 3i3b s ILE 222 N -3.73 4.83 -0.42 3.63 1.01 -1.26 -1.43 121.20 123.83 3i3b s ILE 222 Ca 0.36 1.02 0.22 0.00 0.00 0.00 0.00 60.65 62.25 3i3b s ILE 222 Cb 0.08 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 38.22 3i3b s ILE 222 CO 0.13 -0.25 0.79 -1.54 0.00 0.00 0.00 174.94 174.06 3i3b n SER 223 N 6.14 0.47 -3.56 3.58 3.41 0.11 -4.93 113.62 118.83 3i3b n SER 223 Ca 0.02 -0.23 -0.08 0.00 -0.26 0.00 0.00 58.87 58.32 3i3b n SER 223 Cb 0.48 1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 65.69 3i3b n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3b s ASP 224 N -4.11 -0.30 -0.28 4.04 2.15 -1.14 -4.84 116.67 112.19 3i3b s ASP 224 Ca -0.01 0.13 -0.18 0.00 0.43 0.00 0.00 52.55 52.93 3i3b s ASP 224 Cb 0.14 0.28 0.09 0.00 -0.30 0.00 0.00 42.92 43.14 3i3b s ASP 224 CO 0.86 -0.41 0.77 0.72 -0.17 0.00 0.00 175.17 176.94 3i3b s PHE 225 N -2.21 -0.90 -0.08 -5.34 -0.71 -1.26 -0.52 117.98 106.96 3i3b s PHE 225 Ca 0.04 1.86 0.02 0.00 -1.04 0.00 0.00 56.93 57.81 3i3b s PHE 225 Cb -0.01 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 3i3b s PHE 225 CO -0.05 -0.44 -0.14 -1.01 -1.34 0.00 0.00 175.22 172.24 3i3b s HIS 226 N 1.33 2.73 -0.13 3.49 3.76 0.05 -4.83 115.29 121.69 3i3b s HIS 226 Ca -0.08 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 3i3b s HIS 226 Cb -0.05 -1.71 -0.00 0.00 1.11 0.00 0.00 32.58 31.93 3i3b s HIS 226 CO -0.15 0.02 -0.18 0.08 -0.85 0.00 0.00 174.74 173.66 3i3b s VAL 227 N -0.29 2.53 0.07 -0.90 1.01 -1.26 -1.29 120.40 120.27 3i3b s VAL 227 Ca 0.02 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3i3b s VAL 227 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3i3b s VAL 227 CO 0.03 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 3i3b s ALA 228 N 0.59 1.04 -0.08 5.51 0.00 0.23 -4.84 121.76 124.21 3i3b s ALA 228 Ca -0.10 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3i3b s ALA 228 Cb -0.16 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3i3b s ALA 228 CO 0.03 0.09 -0.03 0.95 0.00 0.00 0.00 175.76 176.80 3i3b s THR 229 N -1.52 0.63 0.14 0.00 -4.23 -1.26 -0.33 115.64 109.07 3i3b s THR 229 Ca -0.02 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.50 3i3b s THR 229 Cb -0.09 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 3i3b s THR 229 CO 0.02 0.29 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.20 3i3b s ARG 230 N 1.70 2.24 0.22 3.99 0.52 -0.34 -4.84 118.95 122.43 3i3b s ARG 230 Ca 0.02 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.20 3i3b s ARG 230 Cb -0.13 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 3i3b s ARG 230 CO -0.05 0.48 -0.05 -0.06 0.02 0.00 0.00 175.30 175.64 3i3b s PHE 231 N -1.49 1.56 0.86 -0.53 0.40 -1.26 -1.26 117.98 116.26 3i3b s PHE 231 Ca 0.24 -0.82 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 3i3b s PHE 231 Cb -0.10 -0.86 0.18 0.00 0.51 0.00 0.00 43.02 42.74 3i3b s PHE 231 CO 0.16 0.08 1.18 0.54 0.70 0.00 0.00 175.22 177.88 3i3b s ASN 232 N -3.29 3.59 0.28 1.36 4.22 -0.90 -4.95 114.94 115.25 3i3b s ASN 232 Ca 0.25 -0.11 0.01 0.00 -2.14 0.00 0.00 52.86 50.88 3i3b s ASN 232 Cb 0.04 -0.05 0.56 0.00 1.28 0.00 0.00 41.25 43.08 3i3b s ASN 232 CO 0.07 -2.39 1.83 -2.24 -2.04 0.00 0.00 177.10 172.33 3i3b h ASP 233 N -1.16 0.92 -0.47 3.54 3.04 -2.02 -2.76 116.42 117.51 3i3b h ASP 233 Ca -0.40 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 3i3b h ASP 233 Cb 1.24 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 3i3b h ASP 233 CO 0.37 0.48 0.00 -0.90 -2.04 0.00 0.00 179.24 177.15 3i3b n ASP 234 N -4.63 4.66 -1.76 4.15 5.75 -1.26 -4.95 116.55 118.51 3i3b n ASP 234 Ca 0.19 -2.77 -0.20 0.00 -0.01 0.00 0.00 54.79 52.00 3i3b n ASP 234 Cb 0.36 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.81 3i3b n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3i3b n PHE 235 N 0.35 -0.29 0.53 2.11 3.01 -1.04 -4.84 117.46 117.28 3i3b n PHE 235 Ca 0.24 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.82 3i3b n PHE 235 Cb 0.96 -3.45 0.22 0.00 -0.01 0.00 0.00 39.48 37.20 3i3b n PHE 235 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i3b h SER 236 N 0.00 0.00 -4.54 4.37 4.64 -1.92 -3.41 113.55 112.69 3i3b h SER 236 Ca -0.42 -0.13 -0.24 0.00 -0.47 0.00 0.00 61.79 60.53 3i3b h SER 236 Cb 1.30 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.15 3i3b h SER 236 CO 0.58 0.07 -0.72 -0.13 -0.87 0.00 0.00 176.83 175.75 3i3b s ARG 237 N -3.17 0.35 0.07 4.77 0.52 -1.26 0.18 118.95 120.42 3i3b s ARG 237 Ca 0.07 -0.50 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 3i3b s ARG 237 Cb 0.12 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.47 3i3b s ARG 237 CO 0.69 0.02 0.22 0.00 0.02 0.00 0.00 175.30 176.25 3i3b s ALA 238 N -0.99 -0.36 -0.11 2.13 0.00 -0.20 -2.12 121.76 120.11 3i3b s ALA 238 Ca -0.08 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3i3b s ALA 238 Cb -0.07 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.47 3i3b s ALA 238 CO -0.00 -0.46 -0.18 0.08 0.00 0.00 0.00 175.76 175.20 3i3b s VAL 239 N -3.28 1.71 -0.24 0.00 1.01 -0.39 -0.76 120.40 118.44 3i3b s VAL 239 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3i3b s VAL 239 Cb 0.02 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3i3b s VAL 239 CO -0.08 0.48 0.14 -0.22 0.00 0.00 0.00 175.10 175.42 3i3b s LEU 240 N 0.73 3.94 -0.17 3.92 0.20 0.89 -1.20 118.68 126.98 3i3b s LEU 240 Ca -0.11 0.03 -0.01 0.00 0.69 0.00 0.00 54.13 54.72 3i3b s LEU 240 Cb -0.16 -2.06 -0.01 0.00 -0.43 0.00 0.00 46.19 43.54 3i3b s LEU 240 CO 0.02 0.04 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.40 3i3b s GLU 241 N 1.18 3.33 -0.21 1.98 2.02 0.55 -0.54 118.70 127.01 3i3b s GLU 241 Ca 0.06 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.38 3i3b s GLU 241 Cb -0.14 -2.75 0.04 0.00 0.10 0.00 0.00 34.13 31.38 3i3b s GLU 241 CO 0.05 0.02 -0.12 0.00 0.02 0.00 0.00 175.26 175.23 3i3b s ALA 242 N 0.84 2.18 -0.19 5.21 0.00 -0.18 -0.60 121.76 129.02 3i3b s ALA 242 Ca -0.03 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.45 3i3b s ALA 242 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3i3b s ALA 242 CO 0.00 -0.81 0.35 -2.00 0.00 0.00 0.00 175.76 173.30 3i3b s GLU 243 N 1.31 4.20 -0.05 0.00 2.12 -0.41 -1.04 118.70 124.83 3i3b s GLU 243 Ca -0.02 0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.51 3i3b s GLU 243 Cb -0.16 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 3i3b s GLU 243 CO -0.08 0.06 -0.25 0.08 -0.54 0.00 0.00 175.26 174.52 3i3b s VAL 244 N 1.01 2.05 -0.04 3.70 1.01 0.48 -0.77 120.40 127.85 3i3b s VAL 244 Ca 0.17 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3i3b s VAL 244 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3i3b s VAL 244 CO 0.06 0.57 -0.23 -1.10 0.00 0.00 0.00 175.10 174.41 3i3b s GLN 245 N -0.27 2.30 0.27 2.72 -0.21 0.33 -1.79 119.66 123.01 3i3b s GLN 245 Ca -0.00 -0.87 0.10 0.00 0.02 0.00 0.00 55.36 54.61 3i3b s GLN 245 Cb -0.13 -2.15 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 3i3b s GLN 245 CO 0.03 0.54 -0.16 0.00 -2.12 0.00 0.00 175.29 173.57 3i3b s MET 246 N -0.54 1.62 0.10 2.91 0.23 -0.80 0.04 119.30 122.86 3i3b s MET 246 Ca 0.08 -1.76 0.06 0.00 -1.03 0.00 0.00 55.69 53.03 3i3b s MET 246 Cb -0.11 -1.58 -0.03 0.00 -1.53 0.00 0.00 34.83 31.58 3i3b s MET 246 CO 0.00 0.25 -0.14 0.00 -2.03 0.00 0.00 175.02 173.10 3i3b n GLY 248 N 0.78 -1.03 3.63 0.00 0.00 -1.26 -1.92 105.19 105.40 3i3b n GLY 248 Ca -0.17 -2.14 -0.45 0.00 0.00 0.00 0.00 46.02 43.25 3i3b n GLY 248 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i3b n GLU 249 N 0.00 2.21 -2.85 1.61 2.13 -1.26 -4.95 120.64 117.53 3i3b n GLU 249 Ca 0.00 0.76 -0.42 0.00 0.66 0.00 0.00 57.16 58.16 3i3b n GLU 249 Cb 0.00 -2.88 -0.04 0.00 0.27 0.00 0.00 31.44 28.79 3i3b n GLU 249 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3i3b s LEU 250 N 5.59 4.19 0.02 4.31 2.96 -1.26 -4.99 118.68 129.50 3i3b s LEU 250 Ca 0.96 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.12 3i3b s LEU 250 Cb -0.55 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 3i3b s LEU 250 CO 0.45 -0.41 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.89 3i3b s ARG 251 N 2.14 0.37 0.55 1.98 1.81 -1.26 -5.05 118.95 119.49 3i3b s ARG 251 Ca 0.40 -0.57 0.27 0.00 -1.72 0.00 0.00 55.73 54.11 3i3b s ARG 251 Cb -0.17 -0.10 1.61 0.00 -0.45 0.00 0.00 34.95 35.84 3i3b s ARG 251 CO 0.13 0.01 2.17 -0.44 -0.68 0.00 0.00 175.30 176.49 3i3b h ASP 252 N 4.86 0.00 1.16 0.23 3.32 -1.98 -2.20 116.42 121.81 3i3b h ASP 252 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3i3b h ASP 252 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i3b h ASP 252 CO 0.43 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 3i3b n TYR 253 N -3.86 0.42 -2.18 4.55 0.18 -1.26 -4.87 117.16 110.13 3i3b n TYR 253 Ca -0.03 0.13 -0.38 0.00 1.88 0.00 0.00 57.90 59.50 3i3b n TYR 253 Cb 0.14 -0.71 -0.01 0.00 -0.38 0.00 0.00 39.34 38.39 3i3b n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3i3b s LEU 254 N -3.70 4.09 0.14 -3.48 1.43 -0.83 0.57 118.68 116.91 3i3b s LEU 254 Ca 0.12 2.43 -0.07 0.00 -1.03 0.00 0.00 54.13 55.58 3i3b s LEU 254 Cb 0.15 -4.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 3i3b s LEU 254 CO 0.54 -0.89 0.21 -0.13 0.23 0.00 0.00 176.35 176.30 3i3b s ARG 255 N -2.50 1.04 -0.03 1.70 1.81 0.17 -4.07 118.95 117.06 3i3b s ARG 255 Ca 0.61 -1.20 0.01 0.00 -1.72 0.00 0.00 55.73 53.43 3i3b s ARG 255 Cb -0.32 0.34 0.02 0.00 -0.45 0.00 0.00 34.95 34.53 3i3b s ARG 255 CO 0.40 -0.35 -0.05 0.08 -0.68 0.00 0.00 175.30 174.70 3i3b s VAL 256 N -3.97 0.52 -0.12 3.52 1.01 -0.75 -1.28 120.40 119.33 3i3b s VAL 256 Ca 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3i3b s VAL 256 Cb 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.92 3i3b s VAL 256 CO -0.02 0.20 -0.15 -0.89 0.00 0.00 0.00 175.10 174.24 3i3b s THR 257 N 0.66 1.55 -0.23 3.92 2.01 0.10 -2.09 115.64 121.56 3i3b s THR 257 Ca -0.09 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 3i3b s THR 257 Cb -0.12 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 3i3b s THR 257 CO 0.00 0.45 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 3i3b s VAL 258 N 1.09 3.59 -0.04 3.82 1.01 -0.23 -0.62 120.40 129.02 3i3b s VAL 258 Ca -0.04 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3i3b s VAL 258 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3i3b s VAL 258 CO -0.04 0.36 -0.21 -0.94 0.00 0.00 0.00 175.10 174.28 3i3b s SER 259 N 1.50 3.49 -0.20 3.32 1.04 -0.80 -1.13 113.70 120.92 3i3b s SER 259 Ca 0.05 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 3i3b s SER 259 Cb -0.15 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 3i3b s SER 259 CO -0.01 0.33 -0.04 -0.22 0.98 0.00 0.00 173.24 174.27 3i3b s LEU 260 N -0.63 2.97 0.02 2.42 2.96 0.36 -1.20 118.68 125.57 3i3b s LEU 260 Ca 0.10 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3i3b s LEU 260 Cb -0.10 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3i3b s LEU 260 CO -0.00 0.03 -0.13 0.26 -1.32 0.00 0.00 176.35 175.19 3i3b s TRP 261 N 1.16 2.69 -0.43 5.38 0.52 0.10 -0.24 118.94 128.13 3i3b s TRP 261 Ca 0.02 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.01 3i3b s TRP 261 Cb -0.14 -1.53 0.12 0.00 -1.15 0.00 0.00 33.47 30.76 3i3b s TRP 261 CO -0.01 0.29 0.17 -1.14 0.02 0.00 0.00 176.95 176.28 3i3b s GLN 262 N -1.35 1.60 7.29 4.98 0.74 0.77 0.10 119.66 133.79 3i3b s GLN 262 Ca 0.15 -2.14 0.00 0.00 0.05 0.00 0.00 55.36 53.42 3i3b s GLN 262 Cb -0.11 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.96 3i3b s GLN 262 CO 0.06 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 3i3b n GLY 263 N 3.73 2.19 0.44 2.59 0.00 -1.26 -2.01 105.19 110.86 3i3b n GLY 263 Ca 0.04 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3i3b n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i3b n GLU 264 N 12.75 1.21 -3.38 1.61 -0.58 -1.26 -4.88 120.64 126.12 3i3b n GLU 264 Ca 0.00 -0.89 -0.39 0.00 -0.42 0.00 0.00 57.16 55.47 3i3b n GLU 264 Cb 0.00 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.31 3i3b n GLU 264 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3i3b s THR 265 N -2.40 5.18 -0.31 2.62 2.01 -0.85 -5.04 115.64 116.84 3i3b s THR 265 Ca 0.23 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.62 3i3b s THR 265 Cb 0.19 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.99 3i3b s THR 265 CO 0.51 0.20 1.04 -1.58 -0.69 0.00 0.00 174.62 174.10 3i3b s GLN 266 N 1.72 4.07 -0.01 4.92 0.74 -1.26 -0.16 119.66 129.68 3i3b s GLN 266 Ca 0.17 1.04 0.14 0.00 0.05 0.00 0.00 55.36 56.77 3i3b s GLN 266 Cb -0.15 -3.73 -0.20 0.00 1.10 0.00 0.00 33.01 30.03 3i3b s GLN 266 CO 0.09 -0.86 0.70 1.33 -0.55 0.00 0.00 175.29 175.99 3i3b n VAL 267 N 5.81 1.43 -3.65 1.34 0.24 0.67 -4.96 118.33 119.20 3i3b n VAL 267 Ca 0.11 -0.76 -0.11 0.00 -2.04 0.00 0.00 64.34 61.55 3i3b n VAL 267 Cb 0.47 -0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 31.89 3i3b n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3b s ALA 268 N -2.72 -0.91 -0.18 2.33 0.00 -1.17 -5.01 121.76 114.10 3i3b s ALA 268 Ca -0.04 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 3i3b s ALA 268 Cb 0.08 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.86 3i3b s ALA 268 CO 0.82 -0.59 0.66 0.45 0.00 0.00 0.00 175.76 177.11 3i3b s SER 269 N -2.60 -0.67 -0.07 0.00 0.15 -1.26 -0.49 113.70 108.76 3i3b s SER 269 Ca 0.01 1.11 -0.06 0.00 0.70 0.00 0.00 55.95 57.71 3i3b s SER 269 Cb 0.01 1.08 0.03 0.00 -1.71 0.00 0.00 66.02 65.43 3i3b s SER 269 CO -0.09 -0.36 0.19 -0.83 1.20 0.00 0.00 173.24 173.34 3i3b s GLY 270 N -0.19 -0.12 0.03 9.45 0.00 -0.28 -4.99 107.32 111.21 3i3b s GLY 270 Ca -0.04 0.62 0.07 0.00 0.00 0.00 0.00 44.72 45.37 3i3b s GLY 270 CO 0.04 0.66 -0.20 -1.59 0.00 0.00 0.00 173.10 172.01 3i3b s THR 271 N 0.45 1.58 -0.09 0.90 2.01 -1.26 -1.07 115.64 118.16 3i3b s THR 271 Ca -0.03 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 3i3b s THR 271 Cb -0.04 -1.36 0.11 0.00 0.01 0.00 0.00 72.50 71.21 3i3b s THR 271 CO -0.02 0.24 0.89 0.00 -0.69 0.00 0.00 174.62 175.04 3i3b s ALA 272 N -0.72 -1.86 0.87 7.40 0.00 -0.89 -5.00 121.76 121.55 3i3b s ALA 272 Ca 0.07 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 3i3b s ALA 272 Cb -0.08 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 22.95 3i3b s ALA 272 CO 0.01 -0.43 1.21 -1.25 0.00 0.00 0.00 175.76 175.30 3i3b s PRO 273 N -1.70 1.20 0.42 0.00 0.04 -1.26 -1.80 135.00 131.90 3i3b s PRO 273 Ca -0.02 -0.44 -0.19 0.00 0.04 0.00 0.00 61.00 60.39 3i3b s PRO 273 Cb -0.01 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 3i3b s PRO 273 CO 0.00 -1.98 0.92 -0.06 0.04 0.00 0.00 177.00 175.92 3i3b s PHE 274 N -3.64 3.34 0.00 0.56 0.08 -1.26 -4.82 117.98 112.25 3i3b s PHE 274 Ca 0.69 1.51 0.00 0.00 0.12 0.00 0.00 56.93 59.26 3i3b s PHE 274 Cb -0.06 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.61 3i3b s PHE 274 CO 0.50 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.92 3i3b n GLY 275 N -0.73 1.19 3.74 4.36 0.00 0.07 -4.96 105.19 108.85 3i3b n GLY 275 Ca 0.06 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3i3b n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i3b s GLY 276 N 0.00 1.61 1.14 -0.02 0.00 0.19 -4.86 107.32 105.38 3i3b s GLY 276 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.45 3i3b s GLY 276 CO 0.00 0.34 1.04 -1.83 0.00 0.00 0.00 173.10 172.65 3i3b s GLU 277 N -5.01 -0.75 0.12 2.90 -1.05 -1.26 -4.40 118.70 109.25 3i3b s GLU 277 Ca 0.63 0.93 -0.31 0.00 -0.15 0.00 0.00 54.97 56.07 3i3b s GLU 277 Cb -0.17 -1.57 -0.08 0.00 -0.44 0.00 0.00 34.13 31.88 3i3b s GLU 277 CO 0.56 -3.64 1.34 0.42 0.95 0.00 0.00 175.26 174.89 3i3b s ILE 278 N -2.47 3.42 -0.04 1.83 1.01 -1.26 -4.31 121.20 119.38 3i3b s ILE 278 Ca 0.68 1.05 0.06 0.00 0.00 0.00 0.00 60.65 62.44 3i3b s ILE 278 Cb -0.25 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3i3b s ILE 278 CO 0.64 0.10 0.08 2.30 0.00 0.00 0.00 174.94 178.06 3i3b n ILE 279 N 3.69 0.23 -3.27 2.92 -5.35 -0.54 -4.93 119.36 112.10 3i3b n ILE 279 Ca 0.10 -0.22 -0.01 0.00 -0.27 0.00 0.00 62.75 62.35 3i3b n ILE 279 Cb 0.43 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 3i3b n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3i3b n ASP 280 N -2.00 -0.27 0.06 7.28 5.68 -0.99 -5.04 116.55 121.28 3i3b n ASP 280 Ca -0.06 -1.22 0.19 0.00 -0.50 0.00 0.00 54.79 53.19 3i3b n ASP 280 Cb 0.45 0.45 0.71 0.00 -1.14 0.00 0.00 41.12 41.60 3i3b n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i3b h GLU 281 N 0.00 0.00 -0.22 0.11 3.07 -2.05 -1.83 114.58 113.67 3i3b h GLU 281 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3i3b h GLU 281 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3i3b h GLU 281 CO 0.05 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.20 3i3b n ARG 282 N -4.25 1.82 0.00 2.33 5.12 -1.26 -5.05 116.66 115.37 3i3b n ARG 282 Ca 0.07 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.75 3i3b n ARG 282 Cb 0.52 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 3i3b n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i3b n GLY 283 N 1.16 0.50 0.00 -0.13 0.00 -0.69 -5.06 105.19 100.97 3i3b n GLY 283 Ca 0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3i3b n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 284 N 0.00 4.69 3.49 -0.02 0.00 -1.26 -1.47 105.19 110.62 3i3b n GLY 284 Ca 0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3i3b n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i3b s TYR 285 N -1.37 2.87 0.16 1.61 2.02 -1.26 -4.88 117.35 116.50 3i3b s TYR 285 Ca 0.00 -0.25 0.30 0.00 -0.37 0.00 0.00 57.07 56.76 3i3b s TYR 285 Cb 0.00 -3.92 1.27 0.00 -0.40 0.00 0.00 41.96 38.91 3i3b s TYR 285 CO 0.00 -1.27 1.95 0.00 -1.57 0.00 0.00 175.55 174.66 3i3b h ALA 286 N 9.23 1.03 -0.48 3.71 0.00 -1.94 0.64 119.26 131.45 3i3b h ALA 286 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i3b h ALA 286 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i3b h ALA 286 CO 1.06 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 180.01 3i3b n ASP 287 N -3.23 4.37 -4.16 0.00 5.75 -1.26 -3.31 116.55 114.71 3i3b n ASP 287 Ca 0.00 -2.57 -0.10 0.00 -0.01 0.00 0.00 54.79 52.11 3i3b n ASP 287 Cb 0.33 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 39.73 3i3b n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i3b s ARG 288 N -2.12 0.80 -0.10 0.11 0.52 -1.03 -1.90 118.95 115.22 3i3b s ARG 288 Ca 0.42 -1.32 -0.21 0.00 -0.52 0.00 0.00 55.73 54.10 3i3b s ARG 288 Cb 0.30 -0.15 0.05 0.00 0.52 0.00 0.00 34.95 35.67 3i3b s ARG 288 CO 0.16 -0.03 0.51 0.54 0.02 0.00 0.00 175.30 176.50 3i3b s VAL 289 N -3.65 0.02 -0.16 3.52 0.11 -0.74 -0.75 120.40 118.74 3i3b s VAL 289 Ca 0.11 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 3i3b s VAL 289 Cb 0.06 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3i3b s VAL 289 CO -0.05 -0.07 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.55 3i3b s THR 290 N -0.59 2.02 -0.15 5.04 2.01 -1.26 -0.39 115.64 122.33 3i3b s THR 290 Ca -0.07 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 3i3b s THR 290 Cb -0.03 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3i3b s THR 290 CO 0.04 0.54 0.13 -0.76 -0.69 0.00 0.00 174.62 173.88 3i3b s LEU 291 N 1.11 4.30 -0.16 4.42 2.01 -0.21 -4.93 118.68 125.22 3i3b s LEU 291 Ca 0.00 0.37 0.01 0.00 0.01 0.00 0.00 54.13 54.53 3i3b s LEU 291 Cb -0.14 -2.07 0.02 0.00 0.01 0.00 0.00 46.19 44.01 3i3b s LEU 291 CO -0.09 0.33 -0.18 -0.13 1.01 0.00 0.00 176.35 177.29 3i3b s ARG 292 N -0.53 2.72 -0.06 1.70 0.52 -1.26 -1.01 118.95 121.04 3i3b s ARG 292 Ca 0.12 -0.73 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3i3b s ARG 292 Cb -0.12 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 3i3b s ARG 292 CO 0.02 -0.20 -0.22 -0.51 0.02 0.00 0.00 175.30 174.41 3i3b s LEU 293 N 1.31 2.24 -0.08 2.53 1.02 0.29 -4.93 118.68 121.06 3i3b s LEU 293 Ca 0.04 -0.43 -0.16 0.00 0.02 0.00 0.00 54.13 53.59 3i3b s LEU 293 Cb -0.13 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.61 3i3b s LEU 293 CO -0.11 0.27 0.42 0.20 0.02 0.00 0.00 176.35 177.15 3i3b s ASN 294 N -0.31 6.69 -0.14 2.29 -0.87 -1.26 -0.08 114.94 121.26 3i3b s ASN 294 Ca 0.01 0.81 -0.01 0.00 -1.57 0.00 0.00 52.86 52.11 3i3b s ASN 294 Cb -0.13 -2.26 0.03 0.00 -0.02 0.00 0.00 41.25 38.88 3i3b s ASN 294 CO 0.02 0.13 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.94 3i3b s VAL 295 N -0.00 1.02 0.16 1.60 1.01 0.06 -4.85 120.40 119.40 3i3b s VAL 295 Ca 0.23 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 3i3b s VAL 295 Cb -0.15 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 3i3b s VAL 295 CO 0.10 0.23 0.67 -1.61 0.00 0.00 0.00 175.10 174.49 3i3b s GLU 296 N 1.69 4.27 -1.34 2.72 0.41 -1.26 -1.04 118.70 124.15 3i3b s GLU 296 Ca 0.03 0.84 -0.21 0.00 -0.41 0.00 0.00 54.97 55.22 3i3b s GLU 296 Cb -0.14 -3.06 0.03 0.00 -1.78 0.00 0.00 34.13 29.18 3i3b s GLU 296 CO -0.08 0.51 0.39 0.09 -0.49 0.00 0.00 175.26 175.68 3i3b n ASN 297 N 1.18 -1.96 -4.76 -0.19 4.13 0.49 -4.86 115.26 109.30 3i3b n ASN 297 Ca -0.06 -1.28 -0.38 0.00 1.68 0.00 0.00 54.58 54.54 3i3b n ASN 297 Cb 0.51 -1.56 0.03 0.00 -1.54 0.00 0.00 39.78 37.21 3i3b n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i3b s PRO 298 N -7.42 3.27 -0.24 3.52 0.04 -1.26 -4.93 135.00 127.97 3i3b s PRO 298 Ca 0.29 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 3i3b s PRO 298 Cb -0.16 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 3i3b s PRO 298 CO 0.97 -1.03 1.21 0.15 0.04 0.00 0.00 177.00 178.34 3i3b s LYS 299 N -2.92 4.11 0.44 4.56 1.02 -1.26 -4.99 119.74 120.71 3i3b s LYS 299 Ca 0.70 1.40 -0.22 0.00 0.02 0.00 0.00 55.97 57.87 3i3b s LYS 299 Cb -0.36 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.08 3i3b s LYS 299 CO 0.42 -0.85 1.02 -0.51 -0.92 0.00 0.00 175.35 174.51 3i3b s LEU 300 N 3.75 3.98 0.09 3.17 1.43 -1.26 -4.45 118.68 125.38 3i3b s LEU 300 Ca 0.52 1.92 -0.06 0.00 -1.03 0.00 0.00 54.13 55.48 3i3b s LEU 300 Cb -0.18 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 3i3b s LEU 300 CO 0.16 -0.59 0.34 0.86 0.23 0.00 0.00 176.35 177.36 3i3b s TRP 301 N -1.89 3.53 0.09 0.29 -0.00 0.11 -3.93 118.94 117.15 3i3b s TRP 301 Ca 0.63 0.59 -0.27 0.00 -0.00 0.00 0.00 56.10 57.05 3i3b s TRP 301 Cb -0.17 -2.02 0.09 0.00 -0.00 0.00 0.00 33.47 31.36 3i3b s TRP 301 CO 0.21 0.51 1.09 -1.54 -0.00 0.00 0.00 176.95 177.22 3i3b s SER 302 N -2.09 -0.12 0.47 5.86 1.04 -1.05 -4.66 113.70 113.16 3i3b s SER 302 Ca 0.35 -0.33 0.27 0.00 0.48 0.00 0.00 55.95 56.72 3i3b s SER 302 Cb -0.13 0.37 0.85 0.00 0.10 0.00 0.00 66.02 67.21 3i3b s SER 302 CO 0.21 -0.69 1.79 0.00 0.98 0.00 0.00 173.24 175.54 3i3b h ALA 303 N 2.00 0.98 -0.01 5.32 0.00 -1.90 -2.37 119.26 123.28 3i3b h ALA 303 Ca -0.27 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3i3b h ALA 303 Cb 1.22 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i3b h ALA 303 CO 0.27 0.10 -0.46 0.93 0.00 0.00 0.00 179.25 180.09 3i3b h GLU 304 N 0.00 0.33 -2.67 0.00 5.08 -1.94 -3.42 114.58 111.96 3i3b h GLU 304 Ca -0.00 -0.34 -0.57 0.00 -1.00 0.00 0.00 59.36 57.44 3i3b h GLU 304 Cb 0.78 0.09 -0.39 0.00 0.50 0.00 0.00 28.75 29.74 3i3b h GLU 304 CO 0.01 1.03 -0.83 0.42 -1.00 0.00 0.00 179.01 178.64 3i3b s ILE 305 N -3.22 0.17 -0.84 3.13 1.01 -1.19 -4.98 121.20 115.30 3i3b s ILE 305 Ca -0.14 -1.53 -0.06 0.00 0.00 0.00 0.00 60.65 58.92 3i3b s ILE 305 Cb 0.03 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.29 3i3b s ILE 305 CO 0.79 -0.92 2.16 -0.81 0.00 0.00 0.00 174.94 176.17 3i3b n PRO 306 N 4.31 2.04 -1.89 2.79 -0.04 -0.90 -2.52 135.00 138.79 3i3b n PRO 306 Ca 0.07 -1.38 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 3i3b n PRO 306 Cb 0.38 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 3i3b n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i3b s ASN 307 N 3.25 6.53 0.09 3.54 0.01 -1.25 -4.87 114.94 122.24 3i3b s ASN 307 Ca 0.40 2.74 0.04 0.00 -0.71 0.00 0.00 52.86 55.33 3i3b s ASN 307 Cb 0.11 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 3i3b s ASN 307 CO -0.03 -0.84 -0.11 -0.76 -1.51 0.00 0.00 177.10 173.85 3i3b s LEU 308 N 0.44 2.37 0.31 0.60 1.43 -1.26 -4.23 118.68 118.35 3i3b s LEU 308 Ca 0.67 -0.76 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3i3b s LEU 308 Cb -0.45 -0.35 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 3i3b s LEU 308 CO 0.38 -0.22 -0.06 -0.31 0.23 0.00 0.00 176.35 176.37 3i3b s TYR 309 N -2.15 2.12 -0.14 0.29 1.51 -0.08 -4.78 117.35 114.12 3i3b s TYR 309 Ca 0.03 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 3i3b s TYR 309 Cb -0.05 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 3i3b s TYR 309 CO 0.01 0.36 -0.15 0.50 -1.11 0.00 0.00 175.55 175.16 3i3b s ARG 310 N -3.70 3.26 -0.21 -0.62 6.06 0.12 0.07 118.95 123.92 3i3b s ARG 310 Ca 0.31 -0.74 -0.06 0.00 -2.50 0.00 0.00 55.73 52.74 3i3b s ARG 310 Cb 0.04 -2.61 -0.03 0.00 0.06 0.00 0.00 34.95 32.41 3i3b s ARG 310 CO 0.14 0.09 0.04 0.00 -2.50 0.00 0.00 175.30 173.07 3i3b s ALA 311 N 0.65 3.19 -0.18 6.12 0.00 -0.37 0.03 121.76 131.20 3i3b s ALA 311 Ca -0.08 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 3i3b s ALA 311 Cb -0.16 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 3i3b s ALA 311 CO 0.02 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.68 3i3b s VAL 312 N 0.96 3.54 -0.34 0.00 1.01 -0.34 -1.94 120.40 123.28 3i3b s VAL 312 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 3i3b s VAL 312 Cb -0.14 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3i3b s VAL 312 CO 0.02 0.47 0.12 -0.69 0.00 0.00 0.00 175.10 175.02 3i3b s VAL 313 N 0.82 3.96 -0.22 2.92 1.01 0.86 -1.90 120.40 127.86 3i3b s VAL 313 Ca -0.02 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 3i3b s VAL 313 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3i3b s VAL 313 CO 0.01 -0.16 0.08 -1.61 0.00 0.00 0.00 175.10 173.42 3i3b s GLU 314 N 1.44 3.84 -0.30 2.72 2.02 0.21 -1.45 118.70 127.18 3i3b s GLU 314 Ca -0.00 -0.40 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 3i3b s GLU 314 Cb -0.19 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3i3b s GLU 314 CO 0.04 0.03 0.20 -1.17 0.02 0.00 0.00 175.26 174.38 3i3b s LEU 315 N 1.04 4.15 0.26 1.80 2.96 -0.60 -0.72 118.68 127.57 3i3b s LEU 315 Ca 0.04 -0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 3i3b s LEU 315 Cb -0.14 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.44 3i3b s LEU 315 CO 0.03 -0.11 0.50 -1.38 -1.32 0.00 0.00 176.35 174.07 3i3b s HIS 316 N 1.74 0.38 0.35 5.38 -3.43 -0.41 -0.16 115.29 119.14 3i3b s HIS 316 Ca 0.07 -0.75 -0.19 0.00 -0.80 0.00 0.00 55.06 53.39 3i3b s HIS 316 Cb -0.16 0.22 -0.10 0.00 -1.43 0.00 0.00 32.58 31.11 3i3b s HIS 316 CO 0.10 -1.04 0.85 0.95 -2.00 0.00 0.00 174.74 173.60 3i3b s THR 317 N -3.88 4.49 0.30 -5.38 -4.23 -0.22 0.41 115.64 107.14 3i3b s THR 317 Ca 0.22 1.31 0.04 0.00 -1.18 0.00 0.00 61.69 62.09 3i3b s THR 317 Cb -0.01 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.44 3i3b s THR 317 CO 0.10 -0.16 1.78 0.00 -0.54 0.00 0.00 174.62 175.81 3i3b h ALA 318 N 2.35 1.61 0.00 3.99 0.00 -0.17 -0.78 119.26 126.26 3i3b h ALA 318 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i3b h ALA 318 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i3b h ALA 318 CO 0.64 -0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 3i3b n ASP 319 N -4.75 0.00 0.00 0.00 8.00 -1.26 -4.84 116.55 113.70 3i3b n ASP 319 Ca 0.22 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3i3b n ASP 319 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3i3b n ASP 319 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3b n GLY 320 N 0.22 1.13 3.49 0.44 0.00 -0.30 -5.08 105.19 105.08 3i3b n GLY 320 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3i3b n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3b s THR 321 N -2.00 5.09 0.01 2.61 2.01 -1.23 -4.90 115.64 117.23 3i3b s THR 321 Ca 0.00 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 3i3b s THR 321 Cb 0.00 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 3i3b s THR 321 CO 0.00 -0.41 1.42 -0.22 -0.69 0.00 0.00 174.62 174.72 3i3b s LEU 322 N 2.13 4.32 -0.20 4.42 2.96 -1.26 -1.05 118.68 130.00 3i3b s LEU 322 Ca 0.12 2.16 -0.23 0.00 -0.22 0.00 0.00 54.13 55.96 3i3b s LEU 322 Cb -0.17 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.76 3i3b s LEU 322 CO 0.14 -0.73 0.29 0.40 -1.32 0.00 0.00 176.35 175.12 3i3b h ILE 323 N 4.88 1.03 -2.27 6.68 2.04 -0.91 -3.49 117.51 125.47 3i3b h ILE 323 Ca -0.39 -2.20 0.12 0.00 1.00 0.00 0.00 64.86 63.39 3i3b h ILE 323 Cb 1.18 2.38 -0.15 0.00 -0.74 0.00 0.00 36.82 39.49 3i3b h ILE 323 CO 0.90 0.35 0.50 -1.83 0.00 0.00 0.00 178.15 178.08 3i3b s GLU 324 N -2.35 0.85 0.01 2.37 -1.05 -1.08 -4.87 118.70 112.58 3i3b s GLU 324 Ca -0.28 -0.33 0.02 0.00 -0.15 0.00 0.00 54.97 54.23 3i3b s GLU 324 Cb 0.05 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 3i3b s GLU 324 CO 0.61 -0.37 -0.07 0.00 0.95 0.00 0.00 175.26 176.38 3i3b s ALA 325 N -3.12 0.53 0.32 -0.84 0.00 0.17 -1.56 121.76 117.27 3i3b s ALA 325 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.67 3i3b s ALA 325 Cb -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 3i3b s ALA 325 CO -0.08 0.09 0.02 -1.21 0.00 0.00 0.00 175.76 174.58 3i3b s GLU 326 N -0.53 1.66 0.20 0.00 0.41 -0.53 -1.74 118.70 118.17 3i3b s GLU 326 Ca -0.01 -1.90 -0.23 0.00 -0.41 0.00 0.00 54.97 52.42 3i3b s GLU 326 Cb -0.04 -1.03 0.06 0.00 -1.78 0.00 0.00 34.13 31.33 3i3b s GLU 326 CO -0.00 -0.11 0.92 0.00 -0.49 0.00 0.00 175.26 175.58 3i3b s ALA 327 N -3.15 -1.49 0.03 5.21 0.00 -1.26 -0.10 121.76 121.00 3i3b s ALA 327 Ca 0.34 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 3i3b s ALA 327 Cb 0.08 0.70 0.09 0.00 0.00 0.00 0.00 23.12 23.99 3i3b s ALA 327 CO 0.15 -1.04 0.86 0.00 0.00 0.00 0.00 175.76 175.72 3i3b s ASP 329 N -2.56 7.39 -0.12 0.00 1.01 -1.26 -1.23 116.67 119.89 3i3b s ASP 329 Ca 0.05 1.65 0.01 0.00 0.71 0.00 0.00 52.55 54.96 3i3b s ASP 329 Cb -0.01 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 3i3b s ASP 329 CO -0.08 0.13 -0.14 -0.69 0.21 0.00 0.00 175.17 174.59 3i3b s VAL 330 N -0.76 2.97 -0.24 -1.27 1.01 0.11 -4.68 120.40 117.53 3i3b s VAL 330 Ca 0.38 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3i3b s VAL 330 Cb -0.23 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 33.95 3i3b s VAL 330 CO 0.26 0.53 -0.08 -0.83 0.00 0.00 0.00 175.10 174.99 3i3b s GLY 331 N 0.26 1.60 -0.63 4.51 0.00 -1.26 -0.90 107.32 110.91 3i3b s GLY 331 Ca -0.10 -1.44 -0.28 0.00 0.00 0.00 0.00 44.72 42.90 3i3b s GLY 331 CO 0.06 0.50 1.26 -1.36 0.00 0.00 0.00 173.10 173.55 3i3b s PHE 332 N 1.31 2.45 -0.05 1.90 0.40 -1.26 -4.82 117.98 117.91 3i3b s PHE 332 Ca 0.00 0.28 -0.28 0.00 -0.60 0.00 0.00 56.93 56.34 3i3b s PHE 332 Cb -0.16 -4.53 0.06 0.00 0.51 0.00 0.00 43.02 38.90 3i3b s PHE 332 CO -0.05 -1.80 0.61 -0.98 0.70 0.00 0.00 175.22 173.69 3i3b s ARG 333 N 5.30 0.97 -0.11 0.44 3.03 -1.26 0.05 118.95 127.37 3i3b s ARG 333 Ca 0.42 0.20 0.01 0.00 2.03 0.00 0.00 55.73 58.39 3i3b s ARG 333 Cb -0.08 0.46 -0.01 0.00 -1.03 0.00 0.00 34.95 34.28 3i3b s ARG 333 CO 0.22 -0.29 -0.15 -2.00 -1.13 0.00 0.00 175.30 171.94 3i3b s GLU 334 N -1.16 3.15 -0.13 3.89 2.12 -1.26 -4.89 118.70 120.42 3i3b s GLU 334 Ca -0.11 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.52 3i3b s GLU 334 Cb -0.01 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.87 3i3b s GLU 334 CO 0.09 0.28 -0.21 0.08 -0.54 0.00 0.00 175.26 174.96 3i3b s VAL 335 N 0.15 2.18 -0.03 3.70 1.01 -1.26 -0.50 120.40 125.65 3i3b s VAL 335 Ca -0.08 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 3i3b s VAL 335 Cb -0.15 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.44 3i3b s VAL 335 CO 0.05 0.55 0.75 0.00 0.00 0.00 0.00 175.10 176.45 3i3b s ARG 336 N 0.71 0.98 -0.23 2.72 1.70 -0.91 -4.64 118.95 119.29 3i3b s ARG 336 Ca -0.09 0.04 -0.08 0.00 -0.47 0.00 0.00 55.73 55.13 3i3b s ARG 336 Cb -0.16 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 3i3b s ARG 336 CO 0.01 -0.35 0.08 0.42 -1.08 0.00 0.00 175.30 174.38 3i3b s ILE 337 N -1.87 4.61 -0.03 4.99 1.01 -1.26 -0.42 121.20 128.23 3i3b s ILE 337 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3i3b s ILE 337 Cb -0.00 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.37 3i3b s ILE 337 CO 0.02 0.37 0.04 -0.70 0.00 0.00 0.00 174.94 174.67 3i3b s GLU 338 N 1.15 -0.02 -1.68 2.79 2.12 -0.33 -4.83 118.70 117.90 3i3b s GLU 338 Ca 0.05 0.25 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 3i3b s GLU 338 Cb -0.14 -0.36 0.00 0.00 0.26 0.00 0.00 34.13 33.89 3i3b s GLU 338 CO 0.04 -0.22 0.02 -1.71 -0.54 0.00 0.00 175.26 172.84 3i3b n ASN 339 N 4.57 -5.64 0.00 -1.70 5.15 -1.26 -1.86 115.26 114.52 3i3b n ASN 339 Ca -0.19 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 3i3b n ASN 339 Cb 0.50 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 3i3b n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i3b n GLY 340 N -1.00 0.76 3.36 8.20 0.00 -1.26 -5.05 105.19 110.20 3i3b n GLY 340 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3i3b n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 341 N 0.00 2.37 -0.31 0.99 1.43 -0.78 -2.81 118.68 119.57 3i3b s LEU 341 Ca 0.00 -0.37 -0.26 0.00 -1.03 0.00 0.00 54.13 52.46 3i3b s LEU 341 Cb 0.00 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.77 3i3b s LEU 341 CO 0.00 0.29 0.93 -0.22 0.23 0.00 0.00 176.35 177.58 3i3b s LEU 342 N -0.40 4.02 -0.01 1.79 2.96 -1.26 -1.19 118.68 124.60 3i3b s LEU 342 Ca 0.04 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 54.88 3i3b s LEU 342 Cb -0.12 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3i3b s LEU 342 CO 0.02 -0.74 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.43 3i3b s LEU 343 N 3.28 2.87 -0.21 -0.68 1.43 0.44 -2.20 118.68 123.61 3i3b s LEU 343 Ca 0.39 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3i3b s LEU 343 Cb -0.13 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.47 3i3b s LEU 343 CO 0.13 0.30 -0.15 -0.22 0.23 0.00 0.00 176.35 176.64 3i3b s LEU 344 N -1.17 2.66 -1.52 1.79 2.96 0.97 -2.15 118.68 122.21 3i3b s LEU 344 Ca 0.14 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 53.06 3i3b s LEU 344 Cb -0.11 -1.54 0.08 0.00 0.50 0.00 0.00 46.19 45.13 3i3b s LEU 344 CO 0.04 -0.07 0.99 0.59 -1.32 0.00 0.00 176.35 176.59 3i3b n ASN 345 N 4.59 -4.85 0.00 3.68 3.02 0.34 -1.87 115.26 120.17 3i3b n ASN 345 Ca -0.18 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3i3b n ASN 345 Cb 0.48 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 3i3b n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3b n GLY 346 N -1.71 1.62 3.56 7.41 0.00 -1.26 -5.02 105.19 109.79 3i3b n GLY 346 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3i3b n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3b s LYS 347 N -0.19 2.39 -0.03 1.61 -0.14 -0.78 -5.01 119.74 117.59 3i3b s LYS 347 Ca 0.00 -0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 53.49 3i3b s LYS 347 Cb 0.00 -2.40 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 3i3b s LYS 347 CO 0.00 0.58 1.26 -1.25 -0.76 0.00 0.00 175.35 175.18 3i3b s PRO 348 N -1.50 4.34 0.58 -1.68 0.04 -1.26 -0.02 135.00 135.49 3i3b s PRO 348 Ca 0.17 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 3i3b s PRO 348 Cb -0.11 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 3i3b s PRO 348 CO 0.08 -0.47 1.02 -0.51 0.04 0.00 0.00 177.00 177.15 3i3b s LEU 349 N 2.19 3.46 -0.31 -3.56 1.43 -0.93 -4.92 118.68 116.03 3i3b s LEU 349 Ca 0.58 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.28 3i3b s LEU 349 Cb -0.27 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.54 3i3b s LEU 349 CO 0.24 -0.88 0.09 -0.22 0.23 0.00 0.00 176.35 175.80 3i3b s LEU 350 N -4.57 2.48 -0.40 1.79 2.96 -1.26 -4.78 118.68 114.90 3i3b s LEU 350 Ca 0.59 -1.65 -0.29 0.00 -0.22 0.00 0.00 54.13 52.57 3i3b s LEU 350 Cb -0.12 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.63 3i3b s LEU 350 CO 0.40 -0.40 1.46 -0.63 -1.32 0.00 0.00 176.35 175.86 3i3b s ILE 351 N 1.54 3.85 -0.98 6.68 -1.09 0.91 -4.91 121.20 127.20 3i3b s ILE 351 Ca 0.09 0.87 -0.03 0.00 -2.23 0.00 0.00 60.65 59.36 3i3b s ILE 351 Cb -0.17 -4.13 0.28 0.00 -1.58 0.00 0.00 42.46 36.86 3i3b s ILE 351 CO -0.22 -0.70 1.20 0.54 -1.23 0.00 0.00 174.94 174.52 3i3b n ARG 352 N 8.09 3.73 -3.60 2.79 1.74 -1.26 -2.46 116.66 125.69 3i3b n ARG 352 Ca 0.17 -4.55 -0.23 0.00 -0.77 0.00 0.00 57.85 52.47 3i3b n ARG 352 Cb 0.48 -2.46 -0.00 0.00 -1.02 0.00 0.00 32.46 29.46 3i3b n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i3b s GLY 353 N -1.19 2.16 -0.12 -0.13 0.00 -0.78 -0.68 107.32 106.58 3i3b s GLY 353 Ca 0.32 -1.65 -0.16 0.00 0.00 0.00 0.00 44.72 43.23 3i3b s GLY 353 CO 0.02 -1.81 0.42 0.54 0.00 0.00 0.00 173.10 172.28 3i3b s VAL 354 N -2.65 0.01 0.26 1.40 0.11 -0.89 -1.24 120.40 117.40 3i3b s VAL 354 Ca 0.44 -0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 59.10 3i3b s VAL 354 Cb -0.03 -0.63 -0.09 0.00 -1.53 0.00 0.00 36.38 34.09 3i3b s VAL 354 CO 0.27 -0.06 0.93 0.20 -3.33 0.00 0.00 175.10 173.11 3i3b s ASN 355 N -0.22 7.53 -0.04 3.54 0.01 0.19 -1.72 114.94 124.23 3i3b s ASN 355 Ca -0.04 1.89 -0.02 0.00 -0.71 0.00 0.00 52.86 53.98 3i3b s ASN 355 Cb -0.03 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 39.07 3i3b s ASN 355 CO 0.02 0.09 0.06 -0.60 -1.51 0.00 0.00 177.10 175.16 3i3b s ARG 356 N -1.46 -0.06 0.34 -0.60 3.52 -0.90 -0.78 118.95 119.01 3i3b s ARG 356 Ca 0.44 0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 56.35 3i3b s ARG 356 Cb -0.23 -0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 3i3b s ARG 356 CO 0.29 -0.28 0.58 -1.01 -0.81 0.00 0.00 175.30 174.07 3i3b s HIS 357 N 1.85 3.50 -0.79 5.12 3.76 -1.26 -3.84 115.29 123.63 3i3b s HIS 357 Ca 0.01 0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 55.25 3i3b s HIS 357 Cb -0.12 -2.03 0.13 0.00 1.11 0.00 0.00 32.58 31.66 3i3b s HIS 357 CO -0.03 0.08 0.94 -1.21 -0.85 0.00 0.00 174.74 173.67 3i3b s GLU 358 N -4.09 3.38 -0.02 1.40 2.02 -1.26 -4.93 118.70 115.20 3i3b s GLU 358 Ca 0.42 -1.61 0.01 0.00 0.02 0.00 0.00 54.97 53.82 3i3b s GLU 358 Cb -0.10 -4.57 0.01 0.00 0.10 0.00 0.00 34.13 29.57 3i3b s GLU 358 CO 0.35 -1.65 -0.04 -1.58 0.02 0.00 0.00 175.26 172.36 3i3b s HIS 359 N 2.52 0.50 -0.05 1.61 2.46 -1.26 -4.44 115.29 116.63 3i3b s HIS 359 Ca 0.23 -0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.68 3i3b s HIS 359 Cb -0.12 -0.39 0.02 0.00 -0.13 0.00 0.00 32.58 31.95 3i3b s HIS 359 CO -0.02 -0.07 -0.08 -1.58 -2.47 0.00 0.00 174.74 170.52 3i3b s HIS 360 N 0.28 1.05 0.55 3.88 5.04 0.86 -5.02 115.29 121.94 3i3b s HIS 360 Ca -0.03 -0.35 0.33 0.00 -1.54 0.00 0.00 55.06 53.47 3i3b s HIS 360 Cb -0.07 -0.84 1.89 0.00 0.04 0.00 0.00 32.58 33.60 3i3b s HIS 360 CO -0.00 -0.23 2.24 -1.00 -2.34 0.00 0.00 174.74 173.40 3i3b h PRO 361 N 7.11 0.00 0.00 2.88 0.13 -1.79 -1.38 132.00 138.95 3i3b h PRO 361 Ca -0.35 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.42 3i3b h PRO 361 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 3i3b h PRO 361 CO 0.47 0.03 -2.36 1.28 -0.23 0.00 0.00 178.00 177.19 3i3b n LEU 362 N -3.57 2.88 -1.10 1.56 4.77 -1.26 -2.09 117.00 118.20 3i3b n LEU 362 Ca -0.03 -0.09 0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3i3b n LEU 362 Cb 0.12 -0.83 0.24 0.00 -2.33 0.00 0.00 43.42 40.62 3i3b n LEU 362 CO 0.26 0.87 0.70 1.41 -1.33 0.00 0.00 177.39 179.30 3i3b n HIS 363 N -3.27 0.65 0.00 -1.77 8.25 -1.22 -4.97 115.22 112.88 3i3b n HIS 363 Ca -0.43 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 3i3b n HIS 363 Cb 0.94 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.05 3i3b n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3b n GLY 364 N 1.33 2.39 1.31 -1.41 0.00 -0.52 -3.02 105.19 105.28 3i3b n GLY 364 Ca 0.19 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3i3b n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3b n GLN 365 N 7.58 3.69 -3.03 1.61 6.02 -1.26 -0.10 117.38 131.89 3i3b n GLN 365 Ca 0.00 -2.88 -0.40 0.00 -0.01 0.00 0.00 57.00 53.72 3i3b n GLN 365 Cb 0.00 -1.93 -0.05 0.00 1.02 0.00 0.00 30.24 29.29 3i3b n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i3b s VAL 366 N -2.44 5.04 0.16 5.09 1.01 -1.17 -4.87 120.40 123.23 3i3b s VAL 366 Ca 0.46 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.97 3i3b s VAL 366 Cb 0.34 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3i3b s VAL 366 CO 0.15 0.25 0.14 -0.04 0.00 0.00 0.00 175.10 175.59 3i3b s MET 367 N 0.81 2.91 0.04 2.72 -1.94 -1.26 -4.67 119.30 117.90 3i3b s MET 367 Ca 0.38 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3i3b s MET 367 Cb -0.18 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 3i3b s MET 367 CO 0.19 0.49 -0.01 0.16 -0.01 0.00 0.00 175.02 175.83 3i3b s ASP 368 N -3.10 0.35 0.18 3.03 -4.77 -1.26 -5.04 116.67 106.06 3i3b s ASP 368 Ca 0.31 -0.74 -0.14 0.00 -3.30 0.00 0.00 52.55 48.68 3i3b s ASP 368 Cb -0.10 0.17 0.15 0.00 -1.09 0.00 0.00 42.92 42.05 3i3b s ASP 368 CO 0.23 -0.47 1.71 -0.08 0.70 0.00 0.00 175.17 177.26 3i3b h GLU 369 N 3.79 0.19 -0.28 2.11 4.81 -2.00 -2.19 114.58 121.02 3i3b h GLU 369 Ca -0.33 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.95 3i3b h GLU 369 Cb 1.17 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 3i3b h GLU 369 CO 0.54 0.13 -0.15 1.96 -0.73 0.00 0.00 179.01 180.76 3i3b h GLN 370 N 0.20 -0.12 -0.46 1.92 4.20 -1.98 0.11 115.11 118.97 3i3b h GLN 370 Ca 0.22 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.95 3i3b h GLN 370 Cb 0.29 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3i3b h GLN 370 CO -0.31 -0.08 0.30 1.15 -0.67 0.00 0.00 178.83 179.22 3i3b h THR 371 N -0.12 1.11 -0.74 -0.54 2.02 -1.92 0.14 112.91 112.85 3i3b h THR 371 Ca 0.15 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3i3b h THR 371 Cb 0.35 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3i3b h THR 371 CO -0.35 0.11 0.44 0.24 0.37 0.00 0.00 175.52 176.33 3i3b h MET 372 N 0.61 1.00 -0.32 6.66 2.86 -0.86 -0.70 114.93 124.18 3i3b h MET 372 Ca 0.17 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3i3b h MET 372 Cb -0.06 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 3i3b h MET 372 CO -0.05 0.71 -0.09 0.28 1.06 0.00 0.00 176.91 178.82 3i3b h VAL 373 N 1.01 1.28 -0.64 -2.22 2.07 -0.44 -1.63 116.25 115.68 3i3b h VAL 373 Ca 0.26 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3i3b h VAL 373 Cb -0.03 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3i3b h VAL 373 CO -0.05 0.37 0.35 -0.61 0.02 0.00 0.00 177.57 177.66 3i3b h GLN 374 N 0.40 0.64 0.18 1.57 4.15 -0.40 -0.56 115.11 121.10 3i3b h GLN 374 Ca 0.08 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3i3b h GLN 374 Cb 0.59 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3i3b h GLN 374 CO 0.03 0.42 -0.09 -0.44 -1.93 0.00 0.00 178.83 176.83 3i3b h ASP 375 N 0.66 -0.21 -0.88 -0.69 3.32 -0.98 -2.40 116.42 115.24 3i3b h ASP 375 Ca 0.28 -0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.31 3i3b h ASP 375 Cb 0.17 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 3i3b h ASP 375 CO -0.17 -0.03 0.54 0.40 -1.72 0.00 0.00 179.24 178.26 3i3b h ILE 376 N -0.38 0.99 -0.31 0.35 2.04 -0.94 0.09 117.51 119.36 3i3b h ILE 376 Ca -0.03 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3i3b h ILE 376 Cb 0.30 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3i3b h ILE 376 CO 0.04 0.17 0.14 -0.07 0.00 0.00 0.00 178.15 178.43 3i3b h LEU 377 N 0.95 0.41 -0.77 1.44 3.38 -1.03 -1.98 115.31 117.70 3i3b h LEU 377 Ca 0.40 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3i3b h LEU 377 Cb 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i3b h LEU 377 CO -0.21 0.44 0.01 -0.07 0.09 0.00 0.00 178.44 178.70 3i3b h LEU 378 N 0.36 0.92 0.26 1.67 3.38 -0.90 -0.63 115.31 120.37 3i3b h LEU 378 Ca 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3i3b h LEU 378 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i3b h LEU 378 CO -0.01 0.97 -0.13 0.24 0.09 0.00 0.00 178.44 179.60 3i3b h MET 379 N 0.88 -0.34 -0.35 1.13 2.86 -0.81 -1.46 114.93 116.84 3i3b h MET 379 Ca 0.16 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 3i3b h MET 379 Cb 0.50 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3i3b h MET 379 CO 0.02 -0.16 -0.10 0.87 1.06 0.00 0.00 176.91 178.60 3i3b h LYS 380 N -0.45 0.59 0.00 1.72 1.57 -1.34 -1.16 116.57 117.50 3i3b h LYS 380 Ca -0.04 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3i3b h LYS 380 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3i3b h LYS 380 CO 0.06 0.69 0.00 1.96 -0.57 0.00 0.00 179.45 181.59 3i3b h GLN 381 N 0.55 0.00 -0.42 3.15 4.20 -0.94 -2.29 115.11 119.36 3i3b h GLN 381 Ca 0.10 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.59 3i3b h GLN 381 Cb 0.51 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.15 3i3b h GLN 381 CO 0.03 0.00 -0.05 0.09 -0.67 0.00 0.00 178.83 178.23 3i3b n ASN 382 N -2.84 2.68 -2.71 1.46 3.02 -0.56 -4.97 115.26 111.34 3i3b n ASN 382 Ca -0.00 -3.79 -0.20 0.00 -0.03 0.00 0.00 54.58 50.55 3i3b n ASN 382 Cb 0.20 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.73 3i3b n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i3b n ASN 383 N -1.12 -5.56 -4.86 6.41 3.02 -0.86 -4.01 115.26 108.29 3i3b n ASN 383 Ca 0.36 -0.12 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 3i3b n ASN 383 Cb 1.07 -4.58 -0.06 0.00 -0.61 0.00 0.00 39.78 35.61 3i3b n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i3b s PHE 384 N -3.03 3.64 0.00 3.10 0.40 -0.55 -4.83 117.98 116.71 3i3b s PHE 384 Ca 0.15 0.81 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 3i3b s PHE 384 Cb -0.07 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.30 3i3b s PHE 384 CO 0.18 0.60 0.41 0.27 0.70 0.00 0.00 175.22 177.38 3i3b n ASN 385 N 1.37 0.72 -3.80 1.36 0.23 0.15 -4.16 115.26 111.13 3i3b n ASN 385 Ca -0.12 -1.14 -0.10 0.00 -0.53 0.00 0.00 54.58 52.69 3i3b n ASN 385 Cb 0.53 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 3i3b n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3b s ALA 386 N -0.14 -0.50 -0.09 -2.53 0.00 -1.17 -0.40 121.76 116.93 3i3b s ALA 386 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 3i3b s ALA 386 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.52 3i3b s ALA 386 CO 0.00 -0.44 0.23 0.54 0.00 0.00 0.00 175.76 176.09 3i3b s VAL 387 N -2.96 -0.00 -0.20 0.00 0.11 0.28 -2.10 120.40 115.52 3i3b s VAL 387 Ca -0.02 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 3i3b s VAL 387 Cb 0.01 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3i3b s VAL 387 CO -0.06 0.00 0.06 -0.60 -3.33 0.00 0.00 175.10 171.17 3i3b s ARG 388 N 0.13 3.87 -1.29 1.54 3.52 -0.70 -1.81 118.95 124.21 3i3b s ARG 388 Ca -0.00 -0.39 -0.10 0.00 -0.13 0.00 0.00 55.73 55.11 3i3b s ARG 388 Cb -0.02 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 30.07 3i3b s ARG 388 CO 0.00 0.14 2.49 0.00 -0.81 0.00 0.00 175.30 177.12 3i3b s SER 390 N 2.96 6.39 -0.42 0.00 1.04 -1.25 -0.15 113.70 122.27 3i3b s SER 390 Ca 0.56 1.80 0.10 0.00 0.48 0.00 0.00 55.95 58.88 3i3b s SER 390 Cb 0.15 -2.53 0.32 0.00 0.10 0.00 0.00 66.02 64.05 3i3b s SER 390 CO -0.04 -1.22 0.71 1.41 0.98 0.00 0.00 173.24 175.08 3i3b n HIS 391 N 8.31 0.75 -3.60 5.02 -0.00 -1.26 -4.28 115.22 120.17 3i3b n HIS 391 Ca 0.19 -3.80 -0.03 0.00 -0.00 0.00 0.00 57.72 54.08 3i3b n HIS 391 Cb 0.45 -0.42 -0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3i3b n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3i3b s TYR 392 N -2.26 -0.12 0.35 4.41 -0.85 0.78 -4.19 117.35 115.46 3i3b s TYR 392 Ca 0.40 0.03 -0.28 0.00 -0.52 0.00 0.00 57.07 56.70 3i3b s TYR 392 Cb 0.29 0.53 -0.11 0.00 0.38 0.00 0.00 41.96 43.05 3i3b s TYR 392 CO -0.09 -0.30 1.41 -2.14 -1.52 0.00 0.00 175.55 172.91 3i3b s PRO 393 N -2.54 4.22 0.72 -3.49 0.02 -0.91 -4.53 135.00 128.49 3i3b s PRO 393 Ca 0.11 2.40 -0.00 0.00 0.02 0.00 0.00 61.00 63.53 3i3b s PRO 393 Cb 0.01 -3.02 0.13 0.00 0.02 0.00 0.00 34.50 31.64 3i3b s PRO 393 CO -0.04 -0.38 0.99 -0.80 -0.33 0.00 0.00 177.00 176.44 3i3b s ASN 394 N -0.26 4.34 0.22 2.53 -0.87 -1.26 -4.79 114.94 114.85 3i3b s ASN 394 Ca 0.52 -0.43 -0.32 0.00 -1.57 0.00 0.00 52.86 51.06 3i3b s ASN 394 Cb -0.43 0.07 -0.13 0.00 -0.02 0.00 0.00 41.25 40.74 3i3b s ASN 394 CO 0.57 -1.87 1.58 1.57 -2.57 0.00 0.00 177.10 176.38 3i3b n HIS 395 N -2.82 2.50 -0.31 2.20 -0.00 -1.26 -4.87 115.22 110.66 3i3b n HIS 395 Ca 0.16 0.25 0.24 0.00 0.46 0.00 0.00 57.72 58.83 3i3b n HIS 395 Cb 0.61 -2.57 0.55 0.00 -0.12 0.00 0.00 29.99 28.46 3i3b n HIS 395 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3i3b h PRO 396 N 5.43 0.32 0.00 1.57 0.13 -1.96 -0.44 132.00 137.05 3i3b h PRO 396 Ca -0.45 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3i3b h PRO 396 Cb 1.24 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i3b h PRO 396 CO 0.85 0.21 -0.16 1.25 -0.23 0.00 0.00 178.00 179.92 3i3b h LEU 397 N 0.33 0.00 -0.64 1.56 5.85 -2.01 -3.05 115.31 117.35 3i3b h LEU 397 Ca 0.58 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.37 3i3b h LEU 397 Cb 1.60 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 3i3b h LEU 397 CO -0.24 0.16 0.32 -0.25 -0.34 0.00 0.00 178.44 178.09 3i3b h TRP 398 N 0.00 0.58 -0.28 1.25 2.91 -1.43 -1.18 115.95 117.81 3i3b h TRP 398 Ca -0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 3i3b h TRP 398 Cb 0.28 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 3i3b h TRP 398 CO 0.00 0.24 -0.24 1.88 -1.03 0.00 0.00 178.44 179.29 3i3b h TYR 399 N 0.58 0.59 -0.48 2.65 0.05 -1.68 -1.06 116.97 117.63 3i3b h TYR 399 Ca 0.30 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 3i3b h TYR 399 Cb 0.26 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3i3b h TYR 399 CO -0.10 0.73 0.10 1.15 -1.05 0.00 0.00 178.16 178.98 3i3b h THR 400 N 0.47 1.24 -0.60 -2.88 2.02 -1.45 -0.63 112.91 111.07 3i3b h THR 400 Ca 0.07 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.29 3i3b h THR 400 Cb 0.67 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3i3b h THR 400 CO 0.05 0.31 0.03 -0.07 0.37 0.00 0.00 175.52 176.21 3i3b h LEU 401 N 0.65 1.00 -0.87 2.58 3.38 -0.94 -2.10 115.31 119.02 3i3b h LEU 401 Ca 0.15 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3i3b h LEU 401 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i3b h LEU 401 CO 0.01 1.03 -0.26 0.00 0.09 0.00 0.00 178.44 179.30 3i3b h ASP 403 N 0.47 0.75 0.19 0.00 3.32 -0.83 -0.44 116.42 119.88 3i3b h ASP 403 Ca 0.07 -0.18 -0.27 0.00 0.02 0.00 0.00 57.03 56.66 3i3b h ASP 403 Cb 0.71 -0.19 0.03 0.00 0.22 0.00 0.00 39.33 40.09 3i3b h ASP 403 CO 0.05 0.73 -1.18 0.03 -1.72 0.00 0.00 179.24 177.15 3i3b h ARG 404 N 0.72 0.46 0.01 3.56 3.08 -1.15 -3.35 114.38 117.71 3i3b h ARG 404 Ca 0.17 -0.75 -0.23 0.00 0.07 0.00 0.00 59.98 59.24 3i3b h ARG 404 Cb 0.23 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3i3b h ARG 404 CO -0.01 1.35 -1.12 1.88 -1.07 0.00 0.00 179.97 181.01 3i3b h TYR 405 N -0.04 0.05 -0.35 3.04 0.05 -0.56 -3.45 116.97 115.71 3i3b h TYR 405 Ca -0.20 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.54 3i3b h TYR 405 Cb 1.92 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.66 3i3b h TYR 405 CO 0.15 1.03 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 3i3b n GLY 406 N 1.40 0.52 2.95 3.88 0.00 -0.20 -4.79 105.19 108.94 3i3b n GLY 406 Ca -0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 3i3b n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 407 N -0.11 1.13 0.22 0.99 1.43 -1.02 -4.58 118.68 116.73 3i3b s LEU 407 Ca 0.00 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 3i3b s LEU 407 Cb 0.00 0.37 -0.08 0.00 0.03 0.00 0.00 46.19 46.51 3i3b s LEU 407 CO 0.00 -0.10 1.06 -0.31 0.23 0.00 0.00 176.35 177.23 3i3b s TYR 408 N 0.64 3.68 -0.03 0.29 2.02 0.46 -4.74 117.35 119.67 3i3b s TYR 408 Ca -0.05 1.71 0.05 0.00 -0.37 0.00 0.00 57.07 58.41 3i3b s TYR 408 Cb -0.06 -3.21 -0.01 0.00 -0.40 0.00 0.00 41.96 38.28 3i3b s TYR 408 CO -0.03 -0.33 -0.18 0.08 -1.57 0.00 0.00 175.55 173.52 3i3b s VAL 409 N -0.71 1.49 -0.44 0.71 1.01 0.69 -0.56 120.40 122.59 3i3b s VAL 409 Ca 0.46 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3i3b s VAL 409 Cb -0.29 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 34.90 3i3b s VAL 409 CO 0.36 0.43 0.32 -0.69 0.00 0.00 0.00 175.10 175.51 3i3b s VAL 410 N -0.17 4.66 -0.06 2.92 1.01 -0.75 -1.48 120.40 126.54 3i3b s VAL 410 Ca 0.01 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 3i3b s VAL 410 Cb -0.10 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3i3b s VAL 410 CO 0.01 -0.53 0.98 -0.62 0.00 0.00 0.00 175.10 174.94 3i3b s ASP 411 N 2.30 7.28 -0.10 3.32 -1.08 -0.62 -1.76 116.67 126.01 3i3b s ASP 411 Ca 0.03 1.56 0.03 0.00 -0.52 0.00 0.00 52.55 53.65 3i3b s ASP 411 Cb -0.23 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.68 3i3b s ASP 411 CO 0.04 -0.36 -0.20 -0.70 0.52 0.00 0.00 175.17 174.47 3i3b s GLU 412 N 1.59 2.61 0.53 4.34 2.12 -1.26 0.44 118.70 129.07 3i3b s GLU 412 Ca 0.49 -0.72 -0.22 0.00 0.36 0.00 0.00 54.97 54.88 3i3b s GLU 412 Cb -0.19 -2.05 -0.06 0.00 0.26 0.00 0.00 34.13 32.09 3i3b s GLU 412 CO 0.22 0.09 1.22 0.00 -0.54 0.00 0.00 175.26 176.24 3i3b n ALA 413 N 3.75 1.06 -2.16 6.30 0.00 -0.03 -2.15 120.51 127.29 3i3b n ALA 413 Ca -0.20 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3i3b n ALA 413 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3i3b n ALA 413 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i3b n ASN 414 N -0.65 4.47 -3.57 0.00 5.15 -1.26 -3.95 115.26 115.45 3i3b n ASN 414 Ca 0.11 -2.92 -0.24 0.00 -0.60 0.00 0.00 54.58 50.93 3i3b n ASN 414 Cb 0.44 -1.65 -0.16 0.00 -0.53 0.00 0.00 39.78 37.89 3i3b n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i3b s ILE 415 N 2.87 -0.17 -0.09 -1.44 1.01 -1.25 -4.75 121.20 117.38 3i3b s ILE 415 Ca 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 3i3b s ILE 415 Cb 0.09 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 41.99 3i3b s ILE 415 CO -0.02 -0.28 0.19 -0.70 0.00 0.00 0.00 174.94 174.14 3i3b s GLU 416 N 2.20 0.10 -0.30 2.79 2.12 -0.48 -1.04 118.70 124.08 3i3b s GLU 416 Ca 0.04 0.57 0.12 0.00 0.36 0.00 0.00 54.97 56.05 3i3b s GLU 416 Cb -0.16 -0.17 0.47 0.00 0.26 0.00 0.00 34.13 34.52 3i3b s GLU 416 CO -0.11 -0.25 1.14 0.25 -0.54 0.00 0.00 175.26 175.74 3i3b n THR 417 N 4.96 2.05 -0.31 -1.70 -2.24 -1.05 -0.91 114.28 115.07 3i3b n THR 417 Ca -0.12 -3.87 0.13 0.00 -2.27 0.00 0.00 64.05 57.92 3i3b n THR 417 Cb 0.51 -0.35 0.31 0.00 -2.10 0.00 0.00 70.33 68.70 3i3b n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3i3b h HIS 418 N 2.41 0.72 0.00 4.78 6.17 -1.51 -1.84 115.15 125.89 3i3b h HIS 418 Ca 0.19 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.30 3i3b h HIS 418 Cb 1.36 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 31.11 3i3b h HIS 418 CO 0.72 -0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.77 3i3b n GLY 419 N -1.33 -0.85 3.80 5.26 0.00 -1.20 -4.79 105.19 106.08 3i3b n GLY 419 Ca 0.22 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3i3b n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i3b s MET 420 N -2.63 2.65 -0.21 1.61 -1.94 -0.69 -4.83 119.30 113.25 3i3b s MET 420 Ca 0.14 1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 55.12 3i3b s MET 420 Cb 0.11 -1.95 0.07 0.00 2.01 0.00 0.00 34.83 35.07 3i3b s MET 420 CO 0.25 -1.33 0.09 0.08 -0.01 0.00 0.00 175.02 174.10 3i3b s VAL 421 N -2.99 0.09 1.04 -6.03 1.01 -1.26 -3.22 120.40 109.04 3i3b s VAL 421 Ca 0.59 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 3i3b s VAL 421 Cb -0.15 -0.81 0.21 0.00 0.00 0.00 0.00 36.38 35.63 3i3b s VAL 421 CO 0.55 -0.38 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 3i3b s PRO 422 N 2.05 0.12 0.55 2.72 0.04 -1.26 -4.88 135.00 134.34 3i3b s PRO 422 Ca 0.03 0.26 0.24 0.00 0.04 0.00 0.00 61.00 61.57 3i3b s PRO 422 Cb -0.16 -1.72 1.45 0.00 0.04 0.00 0.00 34.50 34.10 3i3b s PRO 422 CO -0.16 -2.88 2.08 1.98 0.04 0.00 0.00 177.00 178.06 3i3b h MET 423 N -1.99 0.00 -0.62 4.56 4.05 -1.85 -2.16 114.93 116.91 3i3b h MET 423 Ca -0.51 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3i3b h MET 423 Cb 1.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.12 3i3b h MET 423 CO 0.52 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.93 3i3b n ASN 424 N -4.24 5.31 -0.08 1.39 6.94 -1.25 -3.85 115.26 119.48 3i3b n ASN 424 Ca 0.03 -2.85 0.09 0.00 -0.02 0.00 0.00 54.58 51.84 3i3b n ASN 424 Cb 0.36 -0.67 0.46 0.00 -2.36 0.00 0.00 39.78 37.58 3i3b n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3i3b h ARG 425 N 3.63 0.47 0.08 -3.83 2.43 -1.70 -1.25 114.38 114.21 3i3b h ARG 425 Ca 0.00 -0.03 -0.37 0.00 -0.81 0.00 0.00 59.98 58.77 3i3b h ARG 425 Cb 1.85 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.26 3i3b h ARG 425 CO 0.45 0.31 -2.13 1.28 -1.51 0.00 0.00 179.97 178.37 3i3b n LEU 426 N -4.47 2.60 0.23 3.80 4.77 -1.26 -4.02 117.00 118.65 3i3b n LEU 426 Ca 0.08 0.12 0.16 0.00 -0.03 0.00 0.00 56.01 56.34 3i3b n LEU 426 Cb 0.28 -0.97 0.67 0.00 -2.33 0.00 0.00 43.42 41.08 3i3b n LEU 426 CO 0.34 0.85 0.96 0.71 -1.33 0.00 0.00 177.39 178.93 3i3b h THR 427 N 0.05 0.00 -0.35 -5.08 1.35 -1.80 -1.45 112.91 105.63 3i3b h THR 427 Ca -0.46 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3i3b h THR 427 Cb 2.00 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 3i3b h THR 427 CO 0.04 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.64 3i3b n ASP 428 N -2.79 3.38 -4.47 5.36 2.03 -0.48 -1.81 116.55 117.75 3i3b n ASP 428 Ca 0.01 -1.99 -0.40 0.00 0.52 0.00 0.00 54.79 52.93 3i3b n ASP 428 Cb 0.25 -0.22 -0.11 0.00 -0.72 0.00 0.00 41.12 40.32 3i3b n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3i3b s ASP 429 N -1.55 5.89 0.64 1.67 -1.08 -0.55 -4.64 116.67 117.06 3i3b s ASP 429 Ca 0.38 -0.60 0.34 0.00 -0.52 0.00 0.00 52.55 52.14 3i3b s ASP 429 Cb 0.22 -2.09 1.87 0.00 -1.46 0.00 0.00 42.92 41.46 3i3b s ASP 429 CO 0.32 -0.28 2.10 1.55 0.52 0.00 0.00 175.17 179.37 3i3b h PRO 430 N 8.47 0.00 0.00 4.34 0.13 -1.89 -0.57 132.00 142.48 3i3b h PRO 430 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3i3b h PRO 430 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i3b h PRO 430 CO 0.65 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.96 3i3b n ARG 431 N -3.22 0.06 0.00 0.86 1.74 -1.26 -2.29 116.66 112.56 3i3b n ARG 431 Ca -0.01 0.21 0.08 0.00 -0.77 0.00 0.00 57.85 57.36 3i3b n ARG 431 Cb 0.29 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 3i3b n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3i3b n TRP 432 N -1.71 0.00 -0.25 -1.55 7.02 -0.23 -4.56 117.44 116.17 3i3b n TRP 432 Ca 0.04 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.54 3i3b n TRP 432 Cb 0.26 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.29 3i3b n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3i3b h LEU 433 N 1.60 0.46 -0.13 -0.99 5.85 -1.47 -1.52 115.31 119.12 3i3b h LEU 433 Ca 0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3i3b h LEU 433 Cb 0.54 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3i3b h LEU 433 CO 0.00 0.26 -0.03 -0.65 -0.34 0.00 0.00 178.44 177.68 3i3b h PRO 434 N 0.60 -0.00 -0.27 5.25 0.11 -1.80 0.66 132.00 136.55 3i3b h PRO 434 Ca 0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.41 3i3b h PRO 434 Cb 0.38 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3i3b h PRO 434 CO -0.27 -0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 177.44 3i3b h ALA 435 N 1.13 1.37 0.01 -0.75 0.00 -1.69 -2.48 119.26 116.84 3i3b h ALA 435 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i3b h ALA 435 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i3b h ALA 435 CO -0.13 0.43 -0.00 0.52 0.00 0.00 0.00 179.25 180.07 3i3b h MET 436 N 0.41 -0.01 -0.83 0.00 2.86 -0.64 -3.19 114.93 113.53 3i3b h MET 436 Ca 0.08 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.87 3i3b h MET 436 Cb 0.39 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 3i3b h MET 436 CO 0.02 0.68 0.54 0.66 1.06 0.00 0.00 176.91 179.88 3i3b h SER 437 N -0.72 0.54 0.17 1.22 4.64 0.36 0.09 113.55 119.85 3i3b h SER 437 Ca -0.00 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3i3b h SER 437 Cb 0.70 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3i3b h SER 437 CO 0.00 0.27 -0.26 -0.08 -0.87 0.00 0.00 176.83 175.89 3i3b h GLU 438 N 0.57 0.16 0.00 4.77 4.81 -1.48 0.36 114.58 123.76 3i3b h GLU 438 Ca 0.41 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 3i3b h GLU 438 Cb 0.78 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 3i3b h GLU 438 CO -0.17 0.41 -0.03 0.00 -0.73 0.00 0.00 179.01 178.49 3i3b h ARG 439 N 0.14 0.00 0.00 1.92 3.08 -0.98 -2.83 114.38 115.72 3i3b h ARG 439 Ca 0.02 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 3i3b h ARG 439 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3i3b h ARG 439 CO 0.04 0.03 -1.33 0.28 -1.07 0.00 0.00 179.97 177.92 3i3b n VAL 440 N -3.11 1.51 -0.21 2.04 0.31 -0.88 -4.01 118.33 113.97 3i3b n VAL 440 Ca 0.03 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3i3b n VAL 440 Cb 0.50 -2.10 0.03 0.00 -0.91 0.00 0.00 33.84 31.36 3i3b n VAL 440 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3i3b h THR 441 N -1.00 1.21 0.00 2.52 1.35 -0.43 -2.38 112.91 114.18 3i3b h THR 441 Ca -0.32 -0.60 -0.04 0.00 -0.55 0.00 0.00 66.41 64.89 3i3b h THR 441 Cb 1.18 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3i3b h THR 441 CO -0.20 0.24 -0.21 0.03 -0.25 0.00 0.00 175.52 175.14 3i3b h ARG 442 N 0.82 0.00 0.11 4.72 3.08 -1.69 -1.31 114.38 120.11 3i3b h ARG 442 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3i3b h ARG 442 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i3b h ARG 442 CO -0.03 0.21 -0.06 1.98 -1.07 0.00 0.00 179.97 181.01 3i3b h MET 443 N 0.00 -0.15 -0.59 0.04 4.05 -1.61 -2.72 114.93 113.94 3i3b h MET 443 Ca -0.00 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.49 3i3b h MET 443 Cb 0.57 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.35 3i3b h MET 443 CO 0.03 0.30 0.30 0.28 0.23 0.00 0.00 176.91 178.04 3i3b h VAL 444 N -0.67 0.92 0.00 -5.77 2.07 -1.18 -0.72 116.25 110.89 3i3b h VAL 444 Ca -0.02 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3i3b h VAL 444 Cb 0.52 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3i3b h VAL 444 CO 0.03 0.10 -0.08 1.56 0.02 0.00 0.00 177.57 179.19 3i3b h GLN 445 N 0.56 0.00 0.13 1.57 4.20 -1.30 -1.12 115.11 119.15 3i3b h GLN 445 Ca 0.27 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.65 3i3b h GLN 445 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3i3b h GLN 445 CO -0.20 0.08 -1.73 -0.09 -0.67 0.00 0.00 178.83 176.22 3i3b h ARG 446 N 0.00 0.27 -0.15 1.46 2.43 -0.88 -2.97 114.38 114.54 3i3b h ARG 446 Ca -0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3i3b h ARG 446 Cb 0.32 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3i3b h ARG 446 CO 0.01 1.22 0.00 -0.25 -1.51 0.00 0.00 179.97 179.44 3i3b n ASP 447 N -3.71 2.58 0.30 -3.80 8.00 -0.41 -4.30 116.55 115.22 3i3b n ASP 447 Ca -0.29 -1.75 0.19 0.00 0.71 0.00 0.00 54.79 53.65 3i3b n ASP 447 Cb 0.98 -0.09 1.01 0.00 -0.02 0.00 0.00 41.12 43.00 3i3b n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3i3b h ARG 448 N 3.04 0.00 -0.00 -1.24 0.11 -1.42 -1.85 114.38 113.01 3i3b h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i3b h ARG 448 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 3i3b h ARG 448 CO 0.00 0.00 -0.44 0.09 0.10 0.00 0.00 179.97 179.72 3i3b n ASN 449 N -2.87 0.83 -4.64 0.08 3.02 -1.26 -4.87 115.26 105.56 3i3b n ASN 449 Ca -0.02 -0.63 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 3i3b n ASN 449 Cb 0.14 0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 3i3b n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i3b s HIS 450 N -2.77 2.76 0.49 3.10 3.76 -0.70 -4.83 115.29 117.10 3i3b s HIS 450 Ca 0.17 0.93 0.20 0.00 -0.15 0.00 0.00 55.06 56.20 3i3b s HIS 450 Cb 0.18 -3.79 1.30 0.00 1.11 0.00 0.00 32.58 31.38 3i3b s HIS 450 CO 0.63 -1.63 2.10 -1.00 -0.85 0.00 0.00 174.74 173.99 3i3b h PRO 451 N 8.94 0.00 -0.45 8.40 0.13 -1.88 -2.73 132.00 144.42 3i3b h PRO 451 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3i3b h PRO 451 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3i3b h PRO 451 CO 1.02 0.09 0.23 0.66 -0.23 0.00 0.00 178.00 179.76 3i3b h SER 452 N 0.00 0.55 -2.89 1.44 4.64 -1.87 -3.40 113.55 112.03 3i3b h SER 452 Ca -0.00 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.71 3i3b h SER 452 Cb 0.17 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 3i3b h SER 452 CO 0.01 0.47 0.98 -0.69 -0.87 0.00 0.00 176.83 176.73 3i3b s VAL 453 N -5.39 4.06 -0.08 0.95 1.01 -1.03 -0.22 120.40 119.69 3i3b s VAL 453 Ca -0.09 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.17 3i3b s VAL 453 Cb 0.17 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3i3b s VAL 453 CO 0.75 -0.21 0.09 2.30 0.00 0.00 0.00 175.10 178.02 3i3b n ILE 454 N 5.70 0.00 -3.81 2.22 -5.35 -0.55 -4.90 119.36 112.68 3i3b n ILE 454 Ca 0.15 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3i3b n ILE 454 Cb 0.45 0.85 -0.14 0.00 -1.74 0.00 0.00 39.64 39.06 3i3b n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i3b s ILE 455 N -1.47 -0.02 -0.08 7.28 1.01 -1.21 -3.70 121.20 123.01 3i3b s ILE 455 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 3i3b s ILE 455 Cb 0.02 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 3i3b s ILE 455 CO 0.10 0.03 0.24 0.26 0.00 0.00 0.00 174.94 175.57 3i3b s TRP 456 N 0.47 3.64 -0.04 3.97 0.52 -0.70 -1.59 118.94 125.21 3i3b s TRP 456 Ca -0.03 0.70 0.06 0.00 0.02 0.00 0.00 56.10 56.85 3i3b s TRP 456 Cb -0.05 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 3i3b s TRP 456 CO -0.02 0.69 -0.23 0.45 0.02 0.00 0.00 176.95 177.86 3i3b s SER 457 N -0.99 2.80 0.00 2.95 0.15 0.17 -0.82 113.70 117.96 3i3b s SER 457 Ca 0.18 -0.46 0.22 0.00 0.70 0.00 0.00 55.95 56.59 3i3b s SER 457 Cb -0.14 -0.65 1.30 0.00 -1.71 0.00 0.00 66.02 64.81 3i3b s SER 457 CO 0.07 0.24 1.82 0.18 1.20 0.00 0.00 173.24 176.76 3i3b n LEU 458 N 2.87 0.00 0.00 3.45 4.77 -0.98 -0.85 117.00 126.27 3i3b n LEU 458 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3i3b n LEU 458 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3i3b n LEU 458 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3i3b n GLY 459 N 0.81 0.64 3.23 -0.72 0.00 -1.25 -4.62 105.19 103.29 3i3b n GLY 459 Ca 0.16 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3i3b n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3b s ASN 460 N -4.00 -0.28 -0.67 1.61 2.47 -0.21 -4.74 114.94 109.13 3i3b s ASN 460 Ca 0.00 0.40 -0.09 0.00 0.42 0.00 0.00 52.86 53.59 3i3b s ASN 460 Cb 0.00 0.51 0.01 0.00 -1.45 0.00 0.00 41.25 40.33 3i3b s ASN 460 CO 0.00 -0.27 0.44 -0.62 -3.72 0.00 0.00 177.10 172.92 3i3b n GLU 461 N 2.13 -0.86 -1.20 0.43 1.02 -1.26 -3.88 120.64 117.02 3i3b n GLU 461 Ca -0.17 0.29 0.04 0.00 -0.02 0.00 0.00 57.16 57.31 3i3b n GLU 461 Cb 0.57 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.56 3i3b n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i3b n SER 462 N -1.52 1.14 0.00 1.62 7.64 -1.26 -1.53 113.62 119.70 3i3b n SER 462 Ca -0.18 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.23 3i3b n SER 462 Cb 0.45 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3i3b n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3b n GLY 463 N 0.05 1.00 2.77 0.23 0.00 -1.25 -3.94 105.19 104.05 3i3b n GLY 463 Ca 0.09 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 3i3b n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3b s HIS 464 N 0.00 0.86 0.30 1.61 2.46 -1.26 -3.41 115.29 115.85 3i3b s HIS 464 Ca 0.00 -0.43 0.06 0.00 0.47 0.00 0.00 55.06 55.16 3i3b s HIS 464 Cb 0.00 -0.92 -0.06 0.00 -0.13 0.00 0.00 32.58 31.47 3i3b s HIS 464 CO 0.00 -0.43 -0.03 0.20 -2.47 0.00 0.00 174.74 172.01 3i3b s GLY 465 N 1.91 1.92 0.52 1.59 0.00 -1.26 -4.82 107.32 107.18 3i3b s GLY 465 Ca 0.03 -1.96 0.21 0.00 0.00 0.00 0.00 44.72 43.00 3i3b s GLY 465 CO -0.06 -1.85 2.06 0.00 0.00 0.00 0.00 173.10 173.24 3i3b h ALA 466 N 2.21 2.26 -0.42 3.20 0.00 -1.82 0.12 119.26 124.82 3i3b h ALA 466 Ca -0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i3b h ALA 466 Cb 1.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3i3b h ALA 466 CO 0.69 -0.35 0.25 -0.91 0.00 0.00 0.00 179.25 178.92 3i3b h ASN 467 N 0.03 0.50 -0.48 0.00 2.35 -1.68 -1.37 115.58 114.93 3i3b h ASN 467 Ca 0.15 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3i3b h ASN 467 Cb 0.57 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3i3b h ASN 467 CO -0.01 0.39 0.10 0.45 -1.65 0.00 0.00 177.43 176.71 3i3b h HIS 468 N 0.58 0.82 -0.63 1.19 3.86 -0.93 -2.12 115.15 117.91 3i3b h HIS 468 Ca 0.15 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3i3b h HIS 468 Cb -0.01 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 3i3b h HIS 468 CO 0.00 0.75 0.26 -0.44 0.86 0.00 0.00 177.93 179.36 3i3b h ASP 469 N 0.65 0.86 0.26 2.45 3.32 -1.27 0.75 116.42 123.44 3i3b h ASP 469 Ca 0.15 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3i3b h ASP 469 Cb 0.35 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i3b h ASP 469 CO 0.00 0.79 -0.13 0.00 -1.72 0.00 0.00 179.24 178.19 3i3b h ALA 470 N 1.11 -0.36 -0.26 3.45 0.00 -1.16 -1.71 119.26 120.33 3i3b h ALA 470 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i3b h ALA 470 Cb 0.19 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i3b h ALA 470 CO -0.02 -0.70 -0.18 -0.07 0.00 0.00 0.00 179.25 178.28 3i3b h LEU 471 N -0.36 0.45 -0.75 0.00 3.38 -1.27 -0.26 115.31 116.50 3i3b h LEU 471 Ca -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i3b h LEU 471 Cb 0.27 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3i3b h LEU 471 CO 0.06 0.65 0.47 0.22 0.09 0.00 0.00 178.44 179.93 3i3b h TYR 472 N 0.42 0.98 -0.22 1.13 3.20 -0.69 -1.73 116.97 120.06 3i3b h TYR 472 Ca 0.07 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 3i3b h TYR 472 Cb 0.55 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3i3b h TYR 472 CO 0.02 0.64 -0.50 -0.09 -1.64 0.00 0.00 178.16 176.59 3i3b h ARG 473 N 1.03 0.62 -0.38 1.82 9.65 -0.69 -2.56 114.38 123.88 3i3b h ARG 473 Ca 0.27 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 3i3b h ARG 473 Cb -0.07 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3i3b h ARG 473 CO -0.05 0.98 0.19 2.35 2.80 0.00 0.00 179.97 186.23 3i3b h TRP 474 N 0.49 0.35 -0.50 2.20 7.01 -0.52 -1.56 115.95 123.42 3i3b h TRP 474 Ca 0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 3i3b h TRP 474 Cb 1.05 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 3i3b h TRP 474 CO 0.05 0.18 0.12 0.82 -2.79 0.00 0.00 178.44 176.82 3i3b h ILE 475 N 0.39 1.24 -0.30 2.65 2.04 -1.25 -1.33 117.51 120.95 3i3b h ILE 475 Ca 0.16 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.19 3i3b h ILE 475 Cb 0.07 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3i3b h ILE 475 CO -0.12 0.31 0.20 0.11 0.00 0.00 0.00 178.15 178.65 3i3b h LYS 476 N 0.69 0.32 -0.04 2.37 1.79 -1.14 0.17 116.57 120.72 3i3b h LYS 476 Ca 0.16 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.48 3i3b h LYS 476 Cb 0.34 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3i3b h LYS 476 CO 0.00 0.21 -0.45 1.03 -1.08 0.00 0.00 179.45 179.16 3i3b h SER 477 N 0.33 0.47 0.73 0.86 0.87 -0.84 -3.27 113.55 112.70 3i3b h SER 477 Ca 0.12 -0.70 -0.25 0.00 -1.23 0.00 0.00 61.79 59.72 3i3b h SER 477 Cb 0.06 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3i3b h SER 477 CO -0.03 1.11 -1.36 -0.37 -0.53 0.00 0.00 176.83 175.65 3i3b h VAL 478 N -0.12 1.27 -2.50 2.23 -1.51 -0.93 -3.42 116.25 111.27 3i3b h VAL 478 Ca -0.04 -3.05 -0.59 0.00 -1.23 0.00 0.00 66.70 61.78 3i3b h VAL 478 Cb 1.14 2.63 -0.39 0.00 -2.13 0.00 0.00 31.29 32.55 3i3b h VAL 478 CO 0.09 0.73 -0.91 -0.62 -1.23 0.00 0.00 177.57 175.64 3i3b s ASP 479 N -6.41 2.08 0.00 4.19 2.15 0.55 -4.96 116.67 114.27 3i3b s ASP 479 Ca -0.02 -3.06 0.17 0.00 0.43 0.00 0.00 52.55 50.07 3i3b s ASP 479 Cb 0.09 -0.60 1.01 0.00 -0.30 0.00 0.00 42.92 43.12 3i3b s ASP 479 CO 0.82 -0.18 1.44 -0.81 -0.17 0.00 0.00 175.17 176.28 3i3b n PRO 480 N 2.88 0.66 0.00 4.34 -0.04 -1.23 -3.28 135.00 138.33 3i3b n PRO 480 Ca 0.26 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3i3b n PRO 480 Cb 0.45 -1.40 0.52 0.00 -0.04 0.00 0.00 33.50 33.03 3i3b n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i3b n SER 481 N -0.90 0.20 -4.03 3.54 3.41 -1.26 -4.84 113.62 109.75 3i3b n SER 481 Ca 0.13 0.11 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 3i3b n SER 481 Cb 0.06 -0.22 -0.16 0.00 -0.26 0.00 0.00 64.21 63.63 3i3b n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3b s ARG 482 N -2.91 1.12 0.75 4.33 0.52 -1.21 -4.33 118.95 117.22 3i3b s ARG 482 Ca 0.16 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 54.88 3i3b s ARG 482 Cb 0.19 -1.03 0.05 0.00 0.52 0.00 0.00 34.95 34.68 3i3b s ARG 482 CO 0.57 0.14 1.13 -2.14 0.02 0.00 0.00 175.30 175.02 3i3b s PRO 483 N 0.17 2.22 -0.09 3.54 0.02 -1.24 -4.78 135.00 134.84 3i3b s PRO 483 Ca -0.03 1.43 0.04 0.00 0.02 0.00 0.00 61.00 62.46 3i3b s PRO 483 Cb -0.09 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 3i3b s PRO 483 CO 0.01 -1.70 -0.23 0.08 -0.33 0.00 0.00 177.00 174.82 3i3b s VAL 484 N -2.47 2.13 0.16 3.83 1.01 -1.26 -1.72 120.40 122.07 3i3b s VAL 484 Ca 0.67 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3i3b s VAL 484 Cb -0.22 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3i3b s VAL 484 CO 0.49 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 176.02 3i3b s GLN 485 N 0.22 1.15 -0.29 2.72 -2.07 -0.00 -0.13 119.66 121.26 3i3b s GLN 485 Ca -0.15 -1.44 -0.15 0.00 -1.82 0.00 0.00 55.36 51.80 3i3b s GLN 485 Cb -0.17 -0.89 0.12 0.00 -1.09 0.00 0.00 33.01 30.98 3i3b s GLN 485 CO 0.08 0.15 0.83 -0.47 -1.32 0.00 0.00 175.29 174.55 3i3b s TYR 486 N -2.85 -0.86 -0.19 9.60 5.04 -1.26 -2.32 117.35 124.51 3i3b s TYR 486 Ca 0.17 1.66 0.17 0.00 -2.44 0.00 0.00 57.07 56.63 3i3b s TYR 486 Cb -0.01 0.51 0.03 0.00 0.35 0.00 0.00 41.96 42.85 3i3b s TYR 486 CO 0.04 -0.43 1.24 1.49 -1.34 0.00 0.00 175.55 176.55 3i3b h GLU 487 N 6.80 0.00 -6.45 4.97 4.22 -1.85 -3.43 114.58 118.84 3i3b h GLU 487 Ca -0.26 0.00 -0.60 0.00 0.08 0.00 0.00 59.36 58.57 3i3b h GLU 487 Cb 1.19 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.56 3i3b h GLU 487 CO 0.16 0.32 -0.06 0.41 -2.18 0.00 0.00 179.01 177.66 3i3b n GLY 488 N 1.25 -0.70 2.30 1.92 0.00 -1.26 -0.13 105.19 108.58 3i3b n GLY 488 Ca -0.01 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3i3b n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 489 N 1.42 0.25 0.00 -0.02 0.00 -1.22 -3.95 105.19 101.67 3i3b n GLY 489 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3i3b n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 490 N -1.09 0.80 4.06 -0.02 0.00 -1.21 -4.72 105.19 103.02 3i3b n GLY 490 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i3b n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3b n ALA 491 N 0.00 0.00 -2.35 4.61 0.00 0.82 -4.66 120.51 118.93 3i3b n ALA 491 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i3b n ALA 491 Cb 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.03 3i3b n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3b n ASP 492 N 0.00 0.96 -3.72 0.00 5.75 -1.26 -2.02 116.55 116.25 3i3b n ASP 492 Ca 0.00 -2.17 -0.30 0.00 -0.01 0.00 0.00 54.79 52.31 3i3b n ASP 492 Cb 0.00 -0.31 0.24 0.00 -1.03 0.00 0.00 41.12 40.02 3i3b n ASP 492 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3i3b s THR 493 N -0.30 1.65 -1.57 2.12 -4.23 -1.26 -4.91 115.64 107.14 3i3b s THR 493 Ca 0.30 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.00 3i3b s THR 493 Cb 0.34 -2.63 0.38 0.00 1.34 0.00 0.00 72.50 71.92 3i3b s THR 493 CO -0.14 0.00 1.55 0.35 -0.54 0.00 0.00 174.62 175.84 3i3b n THR 494 N -4.59 0.34 -0.25 3.99 -2.24 -1.26 -2.82 114.28 107.45 3i3b n THR 494 Ca 0.15 0.09 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 3i3b n THR 494 Cb 0.60 -0.78 0.31 0.00 -2.10 0.00 0.00 70.33 68.35 3i3b n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b n ALA 495 N -1.22 2.85 -3.31 6.98 0.00 -1.26 -4.92 120.51 119.63 3i3b n ALA 495 Ca 0.10 -1.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.10 3i3b n ALA 495 Cb 0.13 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 3i3b n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i3b s THR 496 N -1.62 -0.02 -0.76 0.00 -1.32 -1.13 -4.19 115.64 106.61 3i3b s THR 496 Ca 0.44 0.08 0.25 0.00 -1.21 0.00 0.00 61.69 61.26 3i3b s THR 496 Cb 0.27 -0.17 0.12 0.00 -1.51 0.00 0.00 72.50 71.21 3i3b s THR 496 CO 0.24 0.03 1.52 0.47 -2.21 0.00 0.00 174.62 174.67 3i3b n ASP 497 N 3.54 0.62 -4.13 8.08 8.00 0.82 -4.82 116.55 128.66 3i3b n ASP 497 Ca -0.19 0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.27 3i3b n ASP 497 Cb 0.56 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.35 3i3b n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3b s ILE 498 N -3.10 1.45 -0.40 0.53 1.01 -1.26 -4.52 121.20 114.91 3i3b s ILE 498 Ca 0.09 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 3i3b s ILE 498 Cb 0.14 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.36 3i3b s ILE 498 CO 0.66 0.42 1.47 -0.63 0.00 0.00 0.00 174.94 176.86 3i3b s ILE 499 N 0.14 3.84 -0.55 2.92 1.01 -0.37 -4.67 121.20 123.52 3i3b s ILE 499 Ca -0.06 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.51 3i3b s ILE 499 Cb -0.13 -4.12 0.27 0.00 0.01 0.00 0.00 42.46 38.50 3i3b s ILE 499 CO 0.03 -0.70 0.73 0.00 0.00 0.00 0.00 174.94 175.00 3i3b s PRO 501 N -2.36 1.53 -0.16 0.00 0.04 -1.26 -4.00 135.00 128.78 3i3b s PRO 501 Ca 0.40 0.81 0.02 0.00 0.04 0.00 0.00 61.00 62.27 3i3b s PRO 501 Cb 0.19 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.90 3i3b s PRO 501 CO -0.06 -2.05 -0.20 0.00 0.04 0.00 0.00 177.00 174.72 3i3b s MET 502 N -4.98 3.03 -1.54 4.56 0.23 -1.26 -1.87 119.30 117.47 3i3b s MET 502 Ca 0.63 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 54.45 3i3b s MET 502 Cb -0.17 -2.51 0.00 0.00 -1.53 0.00 0.00 34.83 30.62 3i3b s MET 502 CO 0.56 -0.09 0.00 0.66 -2.03 0.00 0.00 175.02 174.13 3i3b n TYR 503 N 4.28 -0.34 -2.46 3.16 4.01 0.96 -4.97 117.16 121.80 3i3b n TYR 503 Ca -0.20 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.13 3i3b n TYR 503 Cb 0.51 -2.99 -0.04 0.00 -0.31 0.00 0.00 39.34 36.51 3i3b n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i3b s ALA 504 N -2.68 3.40 0.69 -0.72 0.00 -1.26 -4.90 121.76 116.30 3i3b s ALA 504 Ca 0.00 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 3i3b s ALA 504 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.81 3i3b s ALA 504 CO 0.00 -0.23 1.01 1.03 0.00 0.00 0.00 175.76 177.57 3i3b s ARG 505 N -0.78 2.36 -0.03 0.00 0.52 -1.26 -4.76 118.95 114.99 3i3b s ARG 505 Ca 0.48 -0.13 -0.25 0.00 -0.52 0.00 0.00 55.73 55.31 3i3b s ARG 505 Cb -0.31 -2.16 -0.19 0.00 0.52 0.00 0.00 34.95 32.80 3i3b s ARG 505 CO 0.38 -1.15 1.15 0.28 0.02 0.00 0.00 175.30 175.98 3i3b h VAL 506 N -0.56 1.22 0.00 3.52 2.07 -1.94 -0.00 116.25 120.56 3i3b h VAL 506 Ca -0.45 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 3i3b h VAL 506 Cb 1.30 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3i3b h VAL 506 CO 0.61 0.28 -1.33 0.47 0.02 0.00 0.00 177.57 177.61 3i3b n ASP 507 N -4.89 3.73 -4.70 0.57 8.00 -1.26 -3.63 116.55 114.38 3i3b n ASP 507 Ca -0.09 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 3i3b n ASP 507 Cb 0.27 0.74 -0.05 0.00 -0.02 0.00 0.00 41.12 42.06 3i3b n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i3b s GLU 508 N -2.17 4.37 0.50 -1.24 2.12 -1.26 -4.73 118.70 116.28 3i3b s GLU 508 Ca -0.02 0.85 -0.14 0.00 0.36 0.00 0.00 54.97 56.02 3i3b s GLU 508 Cb 0.02 -3.49 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 3i3b s GLU 508 CO 0.21 -0.06 0.93 -0.51 -0.54 0.00 0.00 175.26 175.30 3i3b s ASP 509 N 0.93 6.54 -0.44 -1.70 1.01 -1.26 -3.88 116.67 117.88 3i3b s ASP 509 Ca 0.36 1.43 0.04 0.00 0.71 0.00 0.00 52.55 55.09 3i3b s ASP 509 Cb -0.17 -2.45 0.17 0.00 1.01 0.00 0.00 42.92 41.48 3i3b s ASP 509 CO 0.16 -0.58 0.36 0.00 0.21 0.00 0.00 175.17 175.32 3i3b n GLN 510 N -1.67 0.36 -0.46 8.23 6.02 -0.19 -4.93 117.38 124.74 3i3b n GLN 510 Ca 0.05 -3.31 -0.12 0.00 -0.01 0.00 0.00 57.00 53.61 3i3b n GLN 510 Cb 0.54 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 3i3b n GLN 510 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3i3b n PRO 511 N 2.73 1.24 -2.09 -1.09 -0.04 -1.26 -0.56 135.00 133.93 3i3b n PRO 511 Ca 0.29 -0.98 -0.38 0.00 -0.04 0.00 0.00 63.50 62.38 3i3b n PRO 511 Cb 0.47 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3i3b n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3b s PHE 512 N 3.67 2.77 0.47 0.54 0.08 -1.26 -4.87 117.98 119.37 3i3b s PHE 512 Ca 0.25 1.45 -0.24 0.00 0.12 0.00 0.00 56.93 58.52 3i3b s PHE 512 Cb 0.07 -3.58 -0.07 0.00 -0.57 0.00 0.00 43.02 38.87 3i3b s PHE 512 CO -0.02 -1.99 1.34 -2.14 -0.10 0.00 0.00 175.22 172.32 3i3b s PRO 513 N -2.50 3.59 0.00 0.24 0.02 -1.26 -2.05 135.00 133.05 3i3b s PRO 513 Ca 0.61 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3i3b s PRO 513 Cb -0.35 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3i3b s PRO 513 CO 0.44 -0.82 0.00 0.00 -0.33 0.00 0.00 177.00 176.29 3i3b n ALA 514 N -0.41 0.00 -3.18 -1.55 0.00 -1.26 -4.46 120.51 109.66 3i3b n ALA 514 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 3i3b n ALA 514 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 3i3b n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i3b n VAL 515 N 0.00 1.66 -2.08 0.00 0.24 -1.24 -4.83 118.33 112.08 3i3b n VAL 515 Ca 0.00 -5.04 -0.35 0.00 -2.04 0.00 0.00 64.34 56.91 3i3b n VAL 515 Cb 0.00 -1.51 0.02 0.00 -1.47 0.00 0.00 33.84 30.88 3i3b n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i3b s PRO 516 N -2.60 3.09 -0.55 7.34 0.04 -0.87 -4.54 135.00 136.91 3i3b s PRO 516 Ca 0.42 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.11 3i3b s PRO 516 Cb 0.23 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.96 3i3b s PRO 516 CO -0.08 -1.08 0.39 0.15 0.04 0.00 0.00 177.00 176.42 3i3b s LYS 517 N -3.39 2.49 0.66 4.56 1.02 0.28 -4.86 119.74 120.50 3i3b s LYS 517 Ca 0.75 -2.17 -0.12 0.00 0.02 0.00 0.00 55.97 54.44 3i3b s LYS 517 Cb -0.27 -3.80 -0.01 0.00 -0.52 0.00 0.00 37.83 33.23 3i3b s LYS 517 CO 0.31 -1.16 1.06 -1.58 -0.92 0.00 0.00 175.35 173.06 3i3b s TRP 518 N 0.58 3.09 0.31 3.18 0.52 -1.26 -1.02 118.94 124.34 3i3b s TRP 518 Ca 0.12 1.45 -0.30 0.00 0.02 0.00 0.00 56.10 57.40 3i3b s TRP 518 Cb -0.21 -2.92 -0.12 0.00 -1.15 0.00 0.00 33.47 29.07 3i3b s TRP 518 CO -0.04 -1.17 1.52 0.45 0.02 0.00 0.00 176.95 177.74 3i3b n SER 519 N -2.75 3.60 -0.25 2.95 2.88 -1.25 -4.33 113.62 114.47 3i3b n SER 519 Ca 0.08 1.17 0.07 0.00 -1.33 0.00 0.00 58.87 58.86 3i3b n SER 519 Cb 0.53 -1.57 0.32 0.00 -0.75 0.00 0.00 64.21 62.75 3i3b n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3i3b h ILE 520 N 3.16 0.98 -0.77 2.46 3.07 -1.05 0.11 117.51 125.47 3i3b h ILE 520 Ca -0.47 -0.28 -0.05 0.00 1.55 0.00 0.00 64.86 65.61 3i3b h ILE 520 Cb 1.24 0.08 -0.03 0.00 -0.27 0.00 0.00 36.82 37.83 3i3b h ILE 520 CO 0.74 0.15 0.29 0.11 -1.05 0.00 0.00 178.15 178.40 3i3b h LYS 521 N 0.83 1.15 -0.10 0.16 1.57 -1.84 -2.91 116.57 115.44 3i3b h LYS 521 Ca 0.38 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 3i3b h LYS 521 Cb 0.39 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3i3b h LYS 521 CO -0.15 0.95 -0.77 -0.22 -0.57 0.00 0.00 179.45 178.69 3i3b h LYS 522 N 1.11 0.54 -0.81 3.15 3.64 -1.57 -3.29 116.57 119.35 3i3b h LYS 522 Ca 0.25 -0.45 0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3i3b h LYS 522 Cb 0.23 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3i3b h LYS 522 CO -0.02 1.08 0.45 2.35 -2.27 0.00 0.00 179.45 181.05 3i3b h TRP 523 N 0.36 0.82 -0.88 1.91 2.91 -0.64 -2.70 115.95 117.74 3i3b h TRP 523 Ca -0.04 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.09 3i3b h TRP 523 Cb 1.36 -0.25 -0.07 0.00 -0.51 0.00 0.00 29.16 29.70 3i3b h TRP 523 CO 0.06 0.32 0.53 -0.07 -1.03 0.00 0.00 178.44 178.26 3i3b h LEU 524 N 0.76 0.81 -2.52 0.65 3.38 -1.60 -3.02 115.31 113.77 3i3b h LEU 524 Ca 0.39 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3i3b h LEU 524 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i3b h LEU 524 CO -0.25 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3i3b n SER 525 N -4.65 3.75 -4.69 -0.43 3.41 -1.03 -4.52 113.62 105.46 3i3b n SER 525 Ca 0.14 -2.15 -0.40 0.00 -0.26 0.00 0.00 58.87 56.20 3i3b n SER 525 Cb 0.23 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 3i3b n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i3b n LEU 526 N 1.23 4.18 -4.71 1.04 4.77 -1.14 -4.76 117.00 117.60 3i3b n LEU 526 Ca 0.22 1.04 -0.61 0.00 -0.03 0.00 0.00 56.01 56.62 3i3b n LEU 526 Cb 0.64 -1.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.16 3i3b n LEU 526 CO 0.17 -0.85 1.22 -2.65 -1.33 0.00 0.00 177.39 173.94 3i3b n PRO 527 N -0.30 0.67 -0.11 3.23 -0.02 -1.26 -0.80 135.00 136.41 3i3b n PRO 527 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3i3b n PRO 527 Cb 0.42 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3i3b n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i3b n GLY 528 N 3.96 2.01 3.74 -1.23 0.00 -1.26 -5.03 105.19 107.38 3i3b n GLY 528 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3i3b n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3b s GLU 529 N -0.26 4.61 0.00 1.61 2.56 0.02 -4.92 118.70 122.31 3i3b s GLU 529 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 54.97 56.26 3i3b s GLU 529 Cb 0.00 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.76 3i3b s GLU 529 CO 0.00 0.25 0.00 0.25 -0.56 0.00 0.00 175.26 175.20 3i3b n THR 530 N 2.79 0.00 -1.58 -1.70 -2.24 -1.26 -4.77 114.28 105.51 3i3b n THR 530 Ca 0.00 -0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 3i3b n THR 530 Cb 0.50 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.78 3i3b n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i3b s ARG 531 N -0.19 2.68 0.64 -0.78 0.52 -1.26 -4.05 118.95 116.51 3i3b s ARG 531 Ca 0.00 1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 56.32 3i3b s ARG 531 Cb 0.00 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 3i3b s ARG 531 CO 0.00 -1.32 1.04 -1.25 0.02 0.00 0.00 175.30 173.79 3i3b s PRO 532 N -4.52 3.36 -0.13 3.54 0.04 -1.12 -4.79 135.00 131.36 3i3b s PRO 532 Ca 0.63 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.56 3i3b s PRO 532 Cb -0.18 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.33 3i3b s PRO 532 CO 0.48 -0.76 -0.20 -1.17 0.04 0.00 0.00 177.00 175.39 3i3b s LEU 533 N -5.20 2.00 -0.08 -3.56 0.20 0.10 -1.24 118.68 110.91 3i3b s LEU 533 Ca 0.57 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 3i3b s LEU 533 Cb -0.12 -1.35 0.03 0.00 -0.43 0.00 0.00 46.19 44.32 3i3b s LEU 533 CO 0.52 0.06 0.04 -0.63 -0.29 0.00 0.00 176.35 176.04 3i3b s ILE 534 N 0.90 0.10 -0.01 6.68 1.01 -0.37 -0.94 121.20 128.56 3i3b s ILE 534 Ca -0.06 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 3i3b s ILE 534 Cb -0.15 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 3i3b s ILE 534 CO -0.03 0.13 1.43 -0.76 0.00 0.00 0.00 174.94 175.72 3i3b s LEU 535 N 2.08 4.31 0.40 2.97 1.02 -0.70 -4.01 118.68 124.75 3i3b s LEU 535 Ca 0.04 2.12 0.20 0.00 0.02 0.00 0.00 54.13 56.52 3i3b s LEU 535 Cb -0.13 -3.56 0.78 0.00 0.02 0.00 0.00 46.19 43.30 3i3b s LEU 535 CO -0.05 -0.75 1.78 0.00 0.02 0.00 0.00 176.35 177.35 3i3b s GLU 537 N -3.66 0.34 0.14 0.00 2.02 -1.24 -4.21 118.70 112.08 3i3b s GLU 537 Ca 0.00 0.62 -0.25 0.00 0.02 0.00 0.00 54.97 55.37 3i3b s GLU 537 Cb 0.11 0.01 0.07 0.00 0.10 0.00 0.00 34.13 34.41 3i3b s GLU 537 CO 0.67 -0.13 0.77 1.52 0.02 0.00 0.00 175.26 178.11 3i3b s TYR 538 N 1.02 -0.34 -0.87 1.61 1.13 -1.02 -0.03 117.35 118.85 3i3b s TYR 538 Ca -0.07 0.08 -0.05 0.00 -1.41 0.00 0.00 57.07 55.63 3i3b s TYR 538 Cb -0.07 0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 41.38 3i3b s TYR 538 CO -0.08 -0.84 0.71 0.00 -2.51 0.00 0.00 175.55 172.83 3i3b n ALA 539 N -0.38 -2.60 -1.60 9.51 0.00 -1.26 -2.00 120.51 122.19 3i3b n ALA 539 Ca -0.10 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 3i3b n ALA 539 Cb 0.62 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 3i3b n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i3b n HIS 540 N -2.63 2.02 -0.70 0.00 -0.00 -0.44 -3.87 115.22 109.60 3i3b n HIS 540 Ca -0.11 -0.15 -0.12 0.00 0.46 0.00 0.00 57.72 57.80 3i3b n HIS 540 Cb 0.58 -2.73 0.03 0.00 -0.12 0.00 0.00 29.99 27.75 3i3b n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i3b n ALA 541 N 11.18 4.72 -2.32 1.57 0.00 0.50 -4.32 120.51 131.83 3i3b n ALA 541 Ca 0.29 -1.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 3i3b n ALA 541 Cb 0.44 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3i3b n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3b s ALA 542 N -1.34 3.14 0.00 0.00 0.00 -1.26 -3.86 121.76 118.45 3i3b s ALA 542 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3i3b s ALA 542 Cb 0.18 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3i3b s ALA 542 CO 0.00 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 173.97 3i3b n GLY 543 N 4.85 2.56 3.57 0.00 0.00 -1.26 -4.09 105.19 110.83 3i3b n GLY 543 Ca 0.17 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3i3b n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3b s ASN 544 N -4.00 5.56 0.00 1.61 3.84 -1.26 -4.84 114.94 115.85 3i3b s ASN 544 Ca 0.00 -1.47 0.00 0.00 0.21 0.00 0.00 52.86 51.60 3i3b s ASN 544 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 3i3b s ASN 544 CO 0.00 -2.45 0.00 -0.24 -2.79 0.00 0.00 177.10 171.62 3i3b n SER 545 N 12.54 0.66 -0.58 -4.21 2.88 -1.26 -4.78 113.62 118.87 3i3b n SER 545 Ca 0.43 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.91 3i3b n SER 545 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 3i3b n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i3b n LEU 546 N 0.00 -1.02 -4.73 2.46 7.94 -1.21 -4.79 117.00 115.65 3i3b n LEU 546 Ca 0.00 0.03 -0.41 0.00 -1.11 0.00 0.00 56.01 54.52 3i3b n LEU 546 Cb 0.00 -1.15 -0.04 0.00 0.53 0.00 0.00 43.42 42.76 3i3b n LEU 546 CO 0.00 -0.12 0.70 -0.83 -1.11 0.00 0.00 177.39 176.03 3i3b s GLY 547 N -2.80 2.93 0.00 -3.96 0.00 0.43 -2.99 107.32 100.93 3i3b s GLY 547 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 3i3b s GLY 547 CO 0.00 1.56 0.00 0.61 0.00 0.00 0.00 173.10 175.27 3i3b n GLY 548 N 2.39 0.75 0.27 0.20 0.00 0.13 -4.15 105.19 104.79 3i3b n GLY 548 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3i3b n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i3b h PHE 549 N 0.00 0.86 -0.90 1.61 3.57 -1.71 -2.44 116.94 117.93 3i3b h PHE 549 Ca 0.00 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.67 3i3b h PHE 549 Cb 0.00 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.38 3i3b h PHE 549 CO 0.00 0.54 0.58 0.00 -2.23 0.00 0.00 178.31 177.20 3i3b h ALA 550 N 1.25 1.85 -0.37 2.41 0.00 -1.86 -1.27 119.26 121.26 3i3b h ALA 550 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3i3b h ALA 550 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i3b h ALA 550 CO -0.05 -0.10 0.22 -0.22 0.00 0.00 0.00 179.25 179.10 3i3b h LYS 551 N 0.68 0.50 0.05 0.00 3.64 -1.84 -1.22 116.57 118.38 3i3b h LYS 551 Ca 0.46 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3i3b h LYS 551 Cb 0.76 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3i3b h LYS 551 CO -0.21 0.35 -0.02 1.88 -2.27 0.00 0.00 179.45 179.18 3i3b h TYR 552 N 0.51 -0.06 0.00 1.91 0.05 -1.30 -2.89 116.97 115.20 3i3b h TYR 552 Ca 0.14 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 3i3b h TYR 552 Cb -0.02 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3i3b h TYR 552 CO 0.00 0.40 -0.12 -1.49 -1.05 0.00 0.00 178.16 175.90 3i3b h TRP 553 N -0.54 0.00 -0.18 4.88 4.06 -1.37 0.78 115.95 123.58 3i3b h TRP 553 Ca -0.01 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.76 3i3b h TRP 553 Cb 0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3i3b h TRP 553 CO 0.08 0.12 -0.62 0.37 -3.56 0.00 0.00 178.44 174.83 3i3b h GLN 554 N 0.00 0.62 -0.18 0.49 -0.00 -1.24 -2.46 115.11 112.35 3i3b h GLN 554 Ca -0.00 -0.43 -0.13 0.00 -0.00 0.00 0.00 58.65 58.09 3i3b h GLN 554 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.85 3i3b h GLN 554 CO 0.02 1.05 -0.40 0.00 0.00 0.00 0.00 178.83 179.50 3i3b h ALA 555 N 0.85 0.28 -0.94 3.38 0.00 -1.10 -2.22 119.26 119.52 3i3b h ALA 555 Ca -0.01 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.50 3i3b h ALA 555 Cb 1.20 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3i3b h ALA 555 CO 0.12 0.38 0.60 0.74 0.00 0.00 0.00 179.25 181.09 3i3b h PHE 556 N 0.23 1.12 0.00 0.00 0.04 -0.87 -0.80 116.94 116.67 3i3b h PHE 556 Ca 0.00 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.70 3i3b h PHE 556 Cb 1.00 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3i3b h PHE 556 CO 0.09 0.61 -0.48 0.00 -0.60 0.00 0.00 178.31 177.93 3i3b h ARG 557 N 1.12 0.00 0.13 1.51 3.08 -1.41 -3.31 114.38 115.51 3i3b h ARG 557 Ca 0.39 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.13 3i3b h ARG 557 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3i3b h ARG 557 CO -0.15 0.48 -1.52 0.37 -1.07 0.00 0.00 179.97 178.08 3i3b h GLN 558 N 0.00 0.28 -4.66 0.04 4.15 -0.77 -3.44 115.11 110.71 3i3b h GLN 558 Ca -0.00 -0.47 -0.69 0.00 0.77 0.00 0.00 58.65 58.25 3i3b h GLN 558 Cb 1.12 0.18 -0.21 0.00 0.21 0.00 0.00 27.48 28.78 3i3b h GLN 558 CO 0.06 1.15 -0.49 0.71 -1.93 0.00 0.00 178.83 178.34 3i3b s TYR 559 N -2.62 3.22 0.23 3.99 1.51 -0.36 -5.00 117.35 118.32 3i3b s TYR 559 Ca -0.09 -0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 55.36 3i3b s TYR 559 Cb 0.07 -2.47 0.35 0.00 -0.11 0.00 0.00 41.96 39.80 3i3b s TYR 559 CO 0.86 -0.49 1.64 -1.35 -1.11 0.00 0.00 175.55 175.11 3i3b h PRO 560 N 8.48 0.08 0.00 -1.71 0.11 -1.87 -0.65 132.00 136.44 3i3b h PRO 560 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i3b h PRO 560 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i3b h PRO 560 CO 0.66 0.06 0.00 0.54 -0.21 0.00 0.00 178.00 179.04 3i3b n ARG 561 N -5.34 0.46 -2.96 1.05 1.74 -1.26 -4.38 116.66 105.96 3i3b n ARG 561 Ca 0.11 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.79 3i3b n ARG 561 Cb 0.41 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 3i3b n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i3b s LEU 562 N -2.46 4.66 -0.34 0.55 1.43 -0.25 -0.72 118.68 121.54 3i3b s LEU 562 Ca 0.27 -0.96 0.09 0.00 -1.03 0.00 0.00 54.13 52.50 3i3b s LEU 562 Cb 0.17 -2.47 0.64 0.00 0.03 0.00 0.00 46.19 44.57 3i3b s LEU 562 CO 0.38 -1.24 1.72 0.00 0.23 0.00 0.00 176.35 177.44 3i3b n GLN 563 N 7.09 2.76 0.00 1.70 6.02 -0.12 -4.65 117.38 130.19 3i3b n GLN 563 Ca -0.05 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 3i3b n GLN 563 Cb 0.45 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.64 3i3b n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3b n GLY 564 N -0.72 -0.66 0.00 1.08 0.00 -1.26 -0.06 105.19 103.57 3i3b n GLY 564 Ca 0.42 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3i3b n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 565 N 0.00 -0.71 3.18 -0.02 0.00 -1.03 -1.72 105.19 104.89 3i3b n GLY 565 Ca 0.00 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3i3b n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3b s PHE 566 N -2.00 3.10 0.53 1.61 0.40 0.64 -1.87 117.98 120.39 3i3b s PHE 566 Ca 0.00 -1.66 -0.22 0.00 -0.60 0.00 0.00 56.93 54.45 3i3b s PHE 566 Cb 0.00 -2.05 -0.06 0.00 0.51 0.00 0.00 43.02 41.42 3i3b s PHE 566 CO 0.00 -0.75 1.31 0.28 0.70 0.00 0.00 175.22 176.75 3i3b n VAL 567 N 4.64 3.61 -3.90 -0.44 0.31 -0.37 -2.43 118.33 119.75 3i3b n VAL 567 Ca -0.16 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.33 3i3b n VAL 567 Cb 0.46 -1.60 -0.13 0.00 -0.91 0.00 0.00 33.84 31.66 3i3b n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3i3b s TRP 568 N -1.29 3.42 0.00 3.52 -0.11 -0.85 -0.64 118.94 122.99 3i3b s TRP 568 Ca 0.70 -2.20 0.00 0.00 1.22 0.00 0.00 56.10 55.82 3i3b s TRP 568 Cb -0.43 -2.51 0.00 0.00 -1.50 0.00 0.00 33.47 29.03 3i3b s TRP 568 CO 0.50 -0.87 0.00 -0.40 -4.62 0.00 0.00 176.95 171.56 3i3b n ASP 569 N 4.56 0.00 0.21 5.86 5.75 -0.06 -0.37 116.55 132.49 3i3b n ASP 569 Ca -0.08 -0.58 -0.13 0.00 -0.01 0.00 0.00 54.79 54.00 3i3b n ASP 569 Cb 0.43 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 3i3b n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3i3b h TRP 570 N 0.58 -0.52 -3.90 2.11 2.91 -1.20 -1.60 115.95 114.33 3i3b h TRP 570 Ca 0.00 -0.01 -0.40 0.00 1.13 0.00 0.00 58.89 59.61 3i3b h TRP 570 Cb 0.00 0.17 -0.30 0.00 -0.51 0.00 0.00 29.16 28.52 3i3b h TRP 570 CO 0.00 -0.19 -0.78 0.54 -1.03 0.00 0.00 178.44 176.98 3i3b s VAL 571 N -4.37 0.68 0.32 2.65 0.11 -1.26 -1.57 120.40 116.94 3i3b s VAL 571 Ca -0.13 -0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 58.30 3i3b s VAL 571 Cb 0.02 -0.59 -0.13 0.00 -1.53 0.00 0.00 36.38 34.15 3i3b s VAL 571 CO 0.47 0.21 1.31 0.47 -3.33 0.00 0.00 175.10 174.22 3i3b n ASP 572 N 3.11 2.73 -3.04 3.54 8.00 -0.88 -4.36 116.55 125.64 3i3b n ASP 572 Ca -0.16 1.19 -0.35 0.00 0.71 0.00 0.00 54.79 56.18 3i3b n ASP 572 Cb 0.56 -1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.17 3i3b n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3b n GLN 573 N 0.91 3.62 -3.52 -1.24 6.02 0.40 -4.14 117.38 119.42 3i3b n GLN 573 Ca 0.06 -3.20 -0.34 0.00 -0.01 0.00 0.00 57.00 53.51 3i3b n GLN 573 Cb 0.35 -2.37 -0.05 0.00 1.02 0.00 0.00 30.24 29.18 3i3b n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i3b s SER 574 N -0.06 6.64 0.09 1.08 1.04 -1.26 -4.81 113.70 116.41 3i3b s SER 574 Ca 0.54 0.83 0.08 0.00 0.48 0.00 0.00 55.95 57.87 3i3b s SER 574 Cb 0.30 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 3i3b s SER 574 CO -0.19 0.08 -0.15 -0.76 0.98 0.00 0.00 173.24 173.19 3i3b s LEU 575 N -2.27 2.79 0.03 2.42 1.43 -0.31 -4.19 118.68 118.58 3i3b s LEU 575 Ca 0.39 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 3i3b s LEU 575 Cb -0.13 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 3i3b s LEU 575 CO 0.20 0.20 0.81 -0.63 0.23 0.00 0.00 176.35 177.17 3i3b s ILE 576 N -1.10 4.77 0.38 -0.59 -1.09 -0.89 0.51 121.20 123.20 3i3b s ILE 576 Ca 0.18 1.72 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 3i3b s ILE 576 Cb -0.11 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 3i3b s ILE 576 CO 0.10 0.31 0.08 -0.54 -1.23 0.00 0.00 174.94 173.66 3i3b s LYS 577 N 0.24 1.83 -0.01 2.79 1.02 -0.25 -4.92 119.74 120.42 3i3b s LYS 577 Ca 0.41 -2.07 0.03 0.00 0.02 0.00 0.00 55.97 54.36 3i3b s LYS 577 Cb -0.21 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3i3b s LYS 577 CO 0.24 -0.32 -0.11 0.71 -0.92 0.00 0.00 175.35 174.95 3i3b s TYR 578 N -3.21 1.00 0.91 3.18 2.02 -1.26 -0.93 117.35 119.06 3i3b s TYR 578 Ca 0.28 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.65 3i3b s TYR 578 Cb 0.06 -0.65 0.18 0.00 -0.40 0.00 0.00 41.96 41.14 3i3b s TYR 578 CO 0.14 -0.03 1.26 0.16 -1.57 0.00 0.00 175.55 175.51 3i3b s ASP 579 N -0.20 3.43 0.64 2.29 1.47 0.48 -4.87 116.67 119.92 3i3b s ASP 579 Ca 0.03 0.20 0.39 0.00 1.18 0.00 0.00 52.55 54.35 3i3b s ASP 579 Cb -0.05 -0.33 2.18 0.00 -0.34 0.00 0.00 42.92 44.38 3i3b s ASP 579 CO -0.00 -2.52 2.30 -0.33 0.68 0.00 0.00 175.17 175.29 3i3b h GLU 580 N -1.41 0.00 -0.39 2.11 4.39 -2.01 0.16 114.58 117.42 3i3b h GLU 580 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3i3b h GLU 580 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3i3b h GLU 580 CO 0.40 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.34 3i3b n ASN 581 N -3.32 1.95 -0.40 1.42 3.02 -1.26 -4.88 115.26 111.78 3i3b n ASN 581 Ca -0.03 -2.05 -0.05 0.00 -0.03 0.00 0.00 54.58 52.42 3i3b n ASN 581 Cb 0.11 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3i3b n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3b n GLY 582 N 0.95 0.71 3.84 7.41 0.00 0.55 -5.00 105.19 113.65 3i3b n GLY 582 Ca 0.11 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3i3b n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3b s ASN 583 N -2.43 6.85 0.26 1.61 0.01 -1.25 -4.78 114.94 115.22 3i3b s ASN 583 Ca 0.00 1.06 -0.26 0.00 -0.71 0.00 0.00 52.86 52.95 3i3b s ASN 583 Cb 0.00 -2.28 -0.09 0.00 0.41 0.00 0.00 41.25 39.29 3i3b s ASN 583 CO 0.00 0.19 0.89 -2.16 -1.51 0.00 0.00 177.10 174.51 3i3b s PRO 584 N -1.60 4.62 -0.03 -0.60 0.04 -1.26 -0.38 135.00 135.78 3i3b s PRO 584 Ca 0.33 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 3i3b s PRO 584 Cb -0.16 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3i3b s PRO 584 CO 0.18 0.40 0.22 1.67 0.04 0.00 0.00 177.00 179.51 3i3b s TRP 585 N -1.41 -0.12 -0.17 0.56 1.48 -0.11 -4.95 118.94 114.21 3i3b s TRP 585 Ca 0.45 0.23 -0.29 0.00 -1.06 0.00 0.00 56.10 55.43 3i3b s TRP 585 Cb -0.21 0.04 -0.01 0.00 -1.16 0.00 0.00 33.47 32.13 3i3b s TRP 585 CO 0.26 -0.26 1.24 -1.12 -4.06 0.00 0.00 176.95 173.01 3i3b s SER 586 N -0.87 6.96 0.13 -2.66 0.01 -1.26 -1.10 113.70 114.91 3i3b s SER 586 Ca -0.10 1.66 0.06 0.00 1.31 0.00 0.00 55.95 58.89 3i3b s SER 586 Cb -0.05 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3i3b s SER 586 CO 0.02 -0.75 -0.02 0.00 0.41 0.00 0.00 173.24 172.89 3i3b s ALA 587 N 3.47 3.18 0.00 1.44 0.00 0.18 -4.91 121.76 125.12 3i3b s ALA 587 Ca 0.54 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3i3b s ALA 587 Cb -0.21 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3i3b s ALA 587 CO 0.14 0.59 0.00 2.48 0.00 0.00 0.00 175.76 178.97 3i3b n TYR 588 N 0.30 0.00 -1.54 0.00 0.18 -1.26 -1.16 117.16 113.68 3i3b n TYR 588 Ca -0.11 0.00 -0.49 0.00 1.88 0.00 0.00 57.90 59.18 3i3b n TYR 588 Cb 0.53 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.46 3i3b n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i3b n GLY 589 N 2.68 -0.38 2.26 -7.48 0.00 0.30 -1.73 105.19 100.83 3i3b n GLY 589 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3i3b n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 590 N 1.81 3.12 0.00 -0.02 0.00 -1.25 -4.13 105.19 104.72 3i3b n GLY 590 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3i3b n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3b n ASP 591 N 0.11 0.00 -0.35 1.61 8.00 -0.71 -2.65 116.55 122.57 3i3b n ASP 591 Ca 0.00 -0.86 0.06 0.00 0.71 0.00 0.00 54.79 54.70 3i3b n ASP 591 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 3i3b n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i3b n PHE 592 N -0.73 0.00 -0.22 1.24 3.01 -1.26 -4.94 117.46 114.55 3i3b n PHE 592 Ca 0.06 -0.63 0.00 0.00 1.01 0.00 0.00 57.45 57.89 3i3b n PHE 592 Cb 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 3i3b n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i3b n GLY 593 N -0.77 2.14 3.70 1.37 0.00 -1.08 -4.82 105.19 105.73 3i3b n GLY 593 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3i3b n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i3b s ASP 594 N -3.53 6.55 -0.25 1.61 -4.77 -1.26 -4.98 116.67 110.04 3i3b s ASP 594 Ca 0.00 2.60 -0.26 0.00 -3.30 0.00 0.00 52.55 51.59 3i3b s ASP 594 Cb 0.00 -2.58 0.12 0.00 -1.09 0.00 0.00 42.92 39.37 3i3b s ASP 594 CO 0.00 -0.89 0.98 0.28 0.70 0.00 0.00 175.17 176.25 3i3b s THR 595 N 1.96 0.00 0.70 2.11 -1.32 -1.26 -3.95 115.64 113.88 3i3b s THR 595 Ca 0.73 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 61.05 3i3b s THR 595 Cb -0.43 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.58 3i3b s THR 595 CO 0.32 0.00 1.24 -2.84 -2.21 0.00 0.00 174.62 171.14 3i3b s PRO 596 N -0.02 2.30 0.20 7.08 0.02 -1.26 -5.15 135.00 138.17 3i3b s PRO 596 Ca 0.02 1.89 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 3i3b s PRO 596 Cb -0.04 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3i3b s PRO 596 CO -0.04 -1.74 0.35 0.54 -0.33 0.00 0.00 177.00 175.78 3i3b s ASN 597 N -1.75 -0.01 -0.35 2.53 2.20 -1.26 -4.71 114.94 111.60 3i3b s ASN 597 Ca 0.78 -0.95 0.06 0.00 -0.94 0.00 0.00 52.86 51.81 3i3b s ASN 597 Cb -0.33 0.49 0.46 0.00 -2.00 0.00 0.00 41.25 39.87 3i3b s ASN 597 CO 0.43 -0.99 1.34 0.47 -2.94 0.00 0.00 177.10 175.41 3i3b n ASP 598 N -0.29 5.16 0.00 3.54 8.00 -0.95 -4.48 116.55 127.53 3i3b n ASP 598 Ca -0.04 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.70 3i3b n ASP 598 Cb 0.63 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3i3b n ASP 598 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i3b n ARG 599 N -0.78 0.00 0.00 -1.24 5.12 -1.26 -1.40 116.66 117.10 3i3b n ARG 599 Ca 0.46 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.53 3i3b n ARG 599 Cb 0.91 0.00 0.85 0.00 -1.16 0.00 0.00 32.46 33.06 3i3b n ARG 599 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i3b n GLN 600 N 7.68 1.08 0.00 5.56 0.00 -1.26 -0.54 117.38 129.89 3i3b n GLN 600 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 57.00 56.84 3i3b n GLN 600 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 28.89 3i3b n GLN 600 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i3b n PHE 601 N -0.80 0.00 1.01 2.61 -0.00 -0.50 -1.35 117.46 118.43 3i3b n PHE 601 Ca 0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.77 3i3b n PHE 601 Cb 0.17 -0.11 0.31 0.00 -0.00 0.00 0.00 39.48 39.85 3i3b n PHE 601 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i3b s MET 603 N -1.69 1.71 -0.07 0.00 -1.94 -0.46 -0.45 119.30 116.40 3i3b s MET 603 Ca 0.32 -2.21 0.11 0.00 -1.71 0.00 0.00 55.69 52.20 3i3b s MET 603 Cb 0.17 -3.27 0.19 0.00 2.01 0.00 0.00 34.83 33.94 3i3b s MET 603 CO 0.25 -1.02 1.09 0.09 -0.01 0.00 0.00 175.02 175.43 3i3b n ASN 604 N 3.75 1.13 -4.89 3.03 5.03 -1.26 -4.10 115.26 117.94 3i3b n ASN 604 Ca 0.04 -2.57 -0.29 0.00 0.87 0.00 0.00 54.58 52.63 3i3b n ASN 604 Cb 0.38 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 3i3b n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3i3b s GLY 605 N -2.00 1.56 0.26 7.41 0.00 -1.25 -0.88 107.32 112.42 3i3b s GLY 605 Ca 0.19 -0.37 0.25 0.00 0.00 0.00 0.00 44.72 44.79 3i3b s GLY 605 CO -0.01 -0.17 1.59 1.41 0.00 0.00 0.00 173.10 175.92 3i3b h LEU 606 N 0.08 0.00 -8.38 0.66 3.38 -0.25 -3.43 115.31 107.36 3i3b h LEU 606 Ca -0.46 -0.04 -0.32 0.00 0.09 0.00 0.00 57.88 57.15 3i3b h LEU 606 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 3i3b h LEU 606 CO 0.62 0.02 -0.74 0.68 0.09 0.00 0.00 178.44 179.11 3i3b s VAL 607 N -3.17 0.87 0.99 1.22 -7.23 -0.86 -0.46 120.40 111.76 3i3b s VAL 607 Ca 0.08 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 3i3b s VAL 607 Cb 0.10 -1.15 0.18 0.00 0.56 0.00 0.00 36.38 36.08 3i3b s VAL 607 CO 0.66 -0.47 1.08 -0.36 -0.31 0.00 0.00 175.10 175.70 3i3b s PHE 608 N -2.04 2.04 0.49 2.82 0.08 0.25 -2.07 117.98 119.55 3i3b s PHE 608 Ca 0.01 1.12 0.19 0.00 0.12 0.00 0.00 56.93 58.37 3i3b s PHE 608 Cb -0.05 -3.21 1.23 0.00 -0.57 0.00 0.00 43.02 40.42 3i3b s PHE 608 CO 0.00 -2.90 2.01 0.00 -0.10 0.00 0.00 175.22 174.24 3i3b h ALA 609 N -1.91 2.24 -0.31 5.36 0.00 -1.88 0.24 119.26 123.00 3i3b h ALA 609 Ca -0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3i3b h ALA 609 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i3b h ALA 609 CO 0.55 -0.36 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 3i3b n ASP 610 N -4.44 2.04 -0.11 0.00 5.75 -1.26 -4.50 116.55 114.03 3i3b n ASP 610 Ca 0.08 -2.09 -0.01 0.00 -0.01 0.00 0.00 54.79 52.75 3i3b n ASP 610 Cb 0.44 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.22 3i3b n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i3b n ARG 611 N 0.41 -0.39 -2.51 0.11 3.00 0.85 -5.02 116.66 113.10 3i3b n ARG 611 Ca 0.11 0.29 -0.42 0.00 -0.01 0.00 0.00 57.85 57.82 3i3b n ARG 611 Cb 0.36 -3.73 -0.03 0.00 0.00 0.00 0.00 32.46 29.06 3i3b n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3i3b s THR 612 N -1.91 4.14 0.47 0.55 2.01 -1.25 -4.69 115.64 114.95 3i3b s THR 612 Ca 0.00 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 63.39 3i3b s THR 612 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 3i3b s THR 612 CO 0.00 0.18 1.27 -2.84 -0.69 0.00 0.00 174.62 172.54 3i3b s PRO 613 N 0.58 3.64 0.40 4.92 0.02 -1.26 0.85 135.00 144.15 3i3b s PRO 613 Ca 0.54 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.60 3i3b s PRO 613 Cb -0.28 -2.48 -0.03 0.00 0.02 0.00 0.00 34.50 31.73 3i3b s PRO 613 CO 0.31 -0.72 0.63 -1.01 -0.33 0.00 0.00 177.00 175.88 3i3b s HIS 614 N -1.38 3.46 0.53 6.54 3.76 0.39 -4.78 115.29 123.81 3i3b s HIS 614 Ca 0.64 0.44 0.20 0.00 -0.15 0.00 0.00 55.06 56.19 3i3b s HIS 614 Cb -0.35 -2.08 1.37 0.00 1.11 0.00 0.00 32.58 32.62 3i3b s HIS 614 CO 0.43 -0.07 2.11 -1.35 -0.85 0.00 0.00 174.74 175.01 3i3b h PRO 615 N 0.55 0.00 -0.19 8.40 0.11 -1.93 -2.37 132.00 136.57 3i3b h PRO 615 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3i3b h PRO 615 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3i3b h PRO 615 CO 0.61 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 178.53 3i3b h ALA 616 N 1.91 2.10 -0.95 -0.75 0.00 -1.86 -2.66 119.26 117.03 3i3b h ALA 616 Ca 0.08 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.12 3i3b h ALA 616 Cb 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3i3b h ALA 616 CO -0.00 -0.14 0.61 1.25 0.00 0.00 0.00 179.25 180.96 3i3b h LEU 617 N 0.07 0.79 -1.09 0.00 5.85 -1.62 -1.03 115.31 118.29 3i3b h LEU 617 Ca 0.09 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 3i3b h LEU 617 Cb 0.27 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3i3b h LEU 617 CO -0.01 0.40 -0.37 0.74 -0.34 0.00 0.00 178.44 178.86 3i3b h THR 618 N 0.84 1.29 -0.45 1.05 2.02 -1.68 -1.30 112.91 114.68 3i3b h THR 618 Ca 0.48 -1.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.15 3i3b h THR 618 Cb 0.63 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3i3b h THR 618 CO -0.25 0.41 -0.22 -0.08 0.37 0.00 0.00 175.52 175.75 3i3b h GLU 619 N 0.13 0.95 -0.29 6.66 4.57 -1.32 -1.70 114.58 123.57 3i3b h GLU 619 Ca 0.01 -0.42 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 3i3b h GLU 619 Cb 0.73 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3i3b h GLU 619 CO 0.05 1.08 0.06 0.00 -1.18 0.00 0.00 179.01 179.02 3i3b h ALA 620 N 0.84 0.39 -0.67 2.92 0.00 -1.15 -1.88 119.26 119.71 3i3b h ALA 620 Ca 0.10 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i3b h ALA 620 Cb 0.80 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3i3b h ALA 620 CO 0.07 0.06 0.39 -0.22 0.00 0.00 0.00 179.25 179.55 3i3b h LYS 621 N 0.31 0.70 -0.03 0.00 3.64 -1.14 -0.26 116.57 119.80 3i3b h LYS 621 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i3b h LYS 621 Cb 0.31 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3i3b h LYS 621 CO 0.00 0.46 0.00 1.25 -2.27 0.00 0.00 179.45 178.90 3i3b h HIS 622 N 0.72 0.05 0.00 1.91 2.76 -1.17 -2.83 115.15 116.59 3i3b h HIS 622 Ca 0.29 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.43 3i3b h HIS 622 Cb 0.15 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 3i3b h HIS 622 CO -0.07 0.33 -0.13 1.96 -1.30 0.00 0.00 177.93 178.73 3i3b h GLN 623 N -0.25 0.00 -0.58 5.26 1.08 -1.17 -2.68 115.11 116.78 3i3b h GLN 623 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i3b h GLN 623 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3i3b h GLN 623 CO 0.00 0.13 0.00 1.04 -0.95 0.00 0.00 178.83 179.05 3i3b n GLN 624 N -3.41 2.49 -1.59 1.46 6.02 -0.12 -4.95 117.38 117.27 3i3b n GLN 624 Ca -0.01 -2.07 -0.39 0.00 -0.01 0.00 0.00 57.00 54.52 3i3b n GLN 624 Cb 0.31 -1.51 0.03 0.00 1.02 0.00 0.00 30.24 30.09 3i3b n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3b n GLN 625 N 1.08 1.04 -0.13 -1.09 6.02 -1.01 -4.85 117.38 118.43 3i3b n GLN 625 Ca 0.19 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.68 3i3b n GLN 625 Cb 0.53 -2.04 0.28 0.00 1.02 0.00 0.00 30.24 30.02 3i3b n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i3b n PHE 626 N -1.19 0.35 -4.29 1.08 3.01 -1.26 -4.82 117.46 110.34 3i3b n PHE 626 Ca 0.11 -0.17 -0.24 0.00 1.01 0.00 0.00 57.45 58.16 3i3b n PHE 626 Cb 0.44 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.74 3i3b n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3i3b s PHE 627 N -1.65 1.25 0.10 1.38 0.08 -1.26 -0.04 117.98 117.83 3i3b s PHE 627 Ca 0.35 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.97 3i3b s PHE 627 Cb 0.20 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 3i3b s PHE 627 CO 0.29 -0.31 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.44 3i3b s GLN 628 N 1.03 2.50 0.05 0.44 -1.52 -0.28 -4.89 119.66 116.98 3i3b s GLN 628 Ca -0.08 -0.89 0.04 0.00 -1.95 0.00 0.00 55.36 52.48 3i3b s GLN 628 Cb -0.15 -2.50 -0.02 0.00 -0.22 0.00 0.00 33.01 30.12 3i3b s GLN 628 CO -0.00 0.53 -0.11 -0.06 -0.25 0.00 0.00 175.29 175.39 3i3b s PHE 629 N -1.36 0.97 0.03 0.91 0.40 -1.26 -1.08 117.98 116.59 3i3b s PHE 629 Ca 0.26 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 3i3b s PHE 629 Cb -0.11 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 3i3b s PHE 629 CO 0.18 -0.00 -0.09 1.03 0.70 0.00 0.00 175.22 177.04 3i3b s ARG 630 N -1.40 0.60 -0.04 0.44 0.52 -0.88 -5.00 118.95 113.19 3i3b s ARG 630 Ca -0.04 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 3i3b s ARG 630 Cb -0.09 -0.48 -0.01 0.00 0.52 0.00 0.00 34.95 34.89 3i3b s ARG 630 CO 0.01 0.11 -0.23 -1.17 0.02 0.00 0.00 175.30 174.04 3i3b s LEU 631 N -1.19 2.03 -0.28 2.53 2.96 -1.26 -1.28 118.68 122.19 3i3b s LEU 631 Ca -0.05 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3i3b s LEU 631 Cb -0.08 -1.25 0.14 0.00 0.50 0.00 0.00 46.19 45.50 3i3b s LEU 631 CO 0.01 0.25 0.35 -0.55 -1.32 0.00 0.00 176.35 175.08 3i3b s SER 632 N -0.26 1.03 1.56 3.68 0.15 -0.62 -5.04 113.70 114.20 3i3b s SER 632 Ca 0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 3i3b s SER 632 Cb -0.12 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 3i3b s SER 632 CO 0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3i3b n GLY 633 N 5.33 2.28 0.66 9.45 0.00 -1.26 -1.47 105.19 120.18 3i3b n GLY 633 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.76 3i3b n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3b n GLN 634 N 13.20 1.85 -3.75 1.61 1.13 -1.26 -4.86 117.38 125.30 3i3b n GLN 634 Ca 0.00 -1.29 -0.37 0.00 -1.94 0.00 0.00 57.00 53.40 3i3b n GLN 634 Cb 0.00 -1.38 -0.13 0.00 0.11 0.00 0.00 30.24 28.84 3i3b n GLN 634 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3i3b s THR 635 N -1.69 4.21 -0.19 5.09 2.01 -0.54 0.15 115.64 124.69 3i3b s THR 635 Ca 0.31 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 3i3b s THR 635 Cb 0.17 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 3i3b s THR 635 CO 0.25 0.26 0.17 -0.63 -0.69 0.00 0.00 174.62 173.98 3i3b s ILE 636 N 1.58 5.39 -0.25 1.82 1.01 0.50 -1.59 121.20 129.66 3i3b s ILE 636 Ca 0.05 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 3i3b s ILE 636 Cb -0.16 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 3i3b s ILE 636 CO 0.03 0.43 0.06 -0.70 0.00 0.00 0.00 174.94 174.76 3i3b s GLU 637 N 0.33 3.50 -0.15 2.79 2.12 -0.40 -0.30 118.70 126.60 3i3b s GLU 637 Ca 0.10 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.80 3i3b s GLU 637 Cb -0.12 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3i3b s GLU 637 CO -0.00 -0.24 0.06 0.08 -0.54 0.00 0.00 175.26 174.62 3i3b s VAL 638 N 1.57 4.80 -0.07 3.70 1.01 -0.21 -2.08 120.40 129.12 3i3b s VAL 638 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3i3b s VAL 638 Cb -0.15 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3i3b s VAL 638 CO 0.02 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 3i3b s THR 639 N -0.16 1.71 -0.01 3.92 2.01 -0.24 -1.20 115.64 121.66 3i3b s THR 639 Ca 0.07 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 3i3b s THR 639 Cb -0.12 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.86 3i3b s THR 639 CO 0.01 0.48 0.48 -0.55 -0.69 0.00 0.00 174.62 174.35 3i3b s SER 640 N 0.17 6.85 -0.05 3.53 0.15 -0.10 -1.12 113.70 123.14 3i3b s SER 640 Ca -0.10 1.02 0.15 0.00 0.70 0.00 0.00 55.95 57.71 3i3b s SER 640 Cb -0.15 -2.30 0.46 0.00 -1.71 0.00 0.00 66.02 62.33 3i3b s SER 640 CO 0.05 0.21 1.38 -0.62 1.20 0.00 0.00 173.24 175.46 3i3b n GLU 641 N 2.33 3.00 -2.67 5.44 1.02 0.94 -2.59 120.64 128.11 3i3b n GLU 641 Ca -0.11 -2.40 -0.38 0.00 -0.02 0.00 0.00 57.16 54.25 3i3b n GLU 641 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.38 3i3b n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3i3b s TYR 642 N -1.43 3.62 -0.14 -0.32 2.02 -1.26 -4.86 117.35 114.98 3i3b s TYR 642 Ca 0.34 1.76 0.17 0.00 -0.37 0.00 0.00 57.07 58.97 3i3b s TYR 642 Cb 0.21 -3.03 -0.24 0.00 -0.40 0.00 0.00 41.96 38.49 3i3b s TYR 642 CO 0.19 -0.06 0.30 1.28 -1.57 0.00 0.00 175.55 175.69 3i3b n LEU 643 N 0.63 0.28 0.00 -1.29 4.77 -1.26 -1.86 117.00 118.28 3i3b n LEU 643 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3i3b n LEU 643 Cb 0.49 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3i3b n LEU 643 CO 0.47 0.41 -0.50 0.49 -1.33 0.00 0.00 177.39 176.93 3i3b n PHE 644 N -2.80 0.00 -3.43 -1.77 3.72 -1.26 -4.85 117.46 107.07 3i3b n PHE 644 Ca -0.25 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.87 3i3b n PHE 644 Cb 1.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.58 3i3b n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3i3b s ARG 645 N -1.99 3.58 0.35 -1.08 1.70 -1.26 -4.82 118.95 115.42 3i3b s ARG 645 Ca 0.00 -0.14 -0.02 0.00 -0.47 0.00 0.00 55.73 55.10 3i3b s ARG 645 Cb 0.00 -2.70 -0.04 0.00 -0.57 0.00 0.00 34.95 31.64 3i3b s ARG 645 CO 0.00 0.25 0.59 -1.58 -1.08 0.00 0.00 175.30 173.48 3i3b s HIS 646 N -2.07 3.50 -1.36 5.89 5.65 -1.26 -3.58 115.29 122.07 3i3b s HIS 646 Ca 0.42 0.52 -0.13 0.00 0.25 0.00 0.00 55.06 56.12 3i3b s HIS 646 Cb -0.11 -2.03 -0.04 0.00 -1.18 0.00 0.00 32.58 29.23 3i3b s HIS 646 CO 0.31 0.08 2.41 -1.13 -0.65 0.00 0.00 174.74 175.75 3i3b n SER 647 N -1.56 5.34 -0.16 9.88 3.41 -0.98 -4.67 113.62 124.89 3i3b n SER 647 Ca -0.03 -2.68 0.05 0.00 -0.26 0.00 0.00 58.87 55.96 3i3b n SER 647 Cb 0.55 -1.49 0.24 0.00 -0.26 0.00 0.00 64.21 63.25 3i3b n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i3b n ASP 648 N 5.30 0.47 -2.88 4.04 5.68 -1.26 -3.89 116.55 124.00 3i3b n ASP 648 Ca 0.59 -1.78 -0.12 0.00 -0.50 0.00 0.00 54.79 52.98 3i3b n ASP 648 Cb 0.31 -0.05 0.04 0.00 -1.14 0.00 0.00 41.12 40.29 3i3b n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i3b n ASN 649 N -0.35 -0.68 -3.69 -1.12 5.15 -1.26 -5.07 115.26 108.25 3i3b n ASN 649 Ca 0.08 -3.17 -0.14 0.00 -0.60 0.00 0.00 54.58 50.75 3i3b n ASN 649 Cb 0.10 0.59 -0.08 0.00 -0.53 0.00 0.00 39.78 39.86 3i3b n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i3b s GLU 650 N -1.13 0.69 0.01 1.20 8.01 -1.25 -4.23 118.70 122.00 3i3b s GLU 650 Ca 0.29 0.35 -0.04 0.00 0.01 0.00 0.00 54.97 55.58 3i3b s GLU 650 Cb 0.35 0.33 -0.01 0.00 -4.31 0.00 0.00 34.13 30.49 3i3b s GLU 650 CO -0.05 -0.15 0.07 -0.48 0.01 0.00 0.00 175.26 174.65 3i3b s LEU 651 N -0.47 1.82 -0.28 1.80 0.05 -0.52 -2.85 118.68 118.23 3i3b s LEU 651 Ca -0.06 -0.28 -0.12 0.00 0.05 0.00 0.00 54.13 53.72 3i3b s LEU 651 Cb -0.03 0.43 -0.04 0.00 -2.05 0.00 0.00 46.19 44.49 3i3b s LEU 651 CO 0.03 -0.31 0.26 -0.22 -0.55 0.00 0.00 176.35 175.56 3i3b s LEU 652 N -1.27 4.07 -0.23 1.48 2.96 0.86 -1.10 118.68 125.44 3i3b s LEU 652 Ca -0.14 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 3i3b s LEU 652 Cb -0.08 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3i3b s LEU 652 CO 0.00 -0.11 0.12 -2.28 -1.32 0.00 0.00 176.35 172.77 3i3b s HIS 653 N 1.86 3.24 0.22 5.38 5.65 0.67 -0.69 115.29 131.63 3i3b s HIS 653 Ca 0.10 0.06 0.10 0.00 0.25 0.00 0.00 55.06 55.56 3i3b s HIS 653 Cb -0.16 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 28.97 3i3b s HIS 653 CO 0.11 -0.02 -0.13 1.67 -0.65 0.00 0.00 174.74 175.72 3i3b s TRP 654 N 1.06 2.50 -0.20 3.88 1.48 0.17 0.04 118.94 127.87 3i3b s TRP 654 Ca 0.06 -0.27 -0.11 0.00 -1.06 0.00 0.00 56.10 54.72 3i3b s TRP 654 Cb -0.14 -1.17 0.07 0.00 -1.16 0.00 0.00 33.47 31.07 3i3b s TRP 654 CO 0.04 0.58 0.49 1.41 -4.06 0.00 0.00 176.95 175.40 3i3b s MET 655 N -3.11 0.47 -0.18 3.25 1.75 0.42 -2.19 119.30 119.71 3i3b s MET 655 Ca 0.26 0.95 -0.02 0.00 -1.25 0.00 0.00 55.69 55.63 3i3b s MET 655 Cb -0.07 0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.68 3i3b s MET 655 CO 0.15 -0.17 -0.09 0.08 -0.65 0.00 0.00 175.02 174.34 3i3b s VAL 656 N 1.66 3.18 0.03 10.11 1.01 0.05 -0.35 120.40 136.08 3i3b s VAL 656 Ca -0.09 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3i3b s VAL 656 Cb -0.08 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3i3b s VAL 656 CO -0.15 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.35 3i3b s ALA 657 N 0.94 0.64 -0.49 5.51 0.00 -0.28 -1.02 121.76 127.07 3i3b s ALA 657 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 3i3b s ALA 657 Cb -0.15 -0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.06 3i3b s ALA 657 CO -0.00 0.04 0.40 -1.17 0.00 0.00 0.00 175.76 175.03 3i3b s LEU 658 N -1.27 5.75 -1.32 0.00 2.96 0.16 0.01 118.68 124.96 3i3b s LEU 658 Ca -0.06 -1.62 -0.10 0.00 -0.22 0.00 0.00 54.13 52.12 3i3b s LEU 658 Cb -0.08 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3i3b s LEU 658 CO 0.00 -0.71 0.51 0.47 -1.32 0.00 0.00 176.35 175.31 3i3b n ASP 659 N 5.11 -2.04 0.00 3.68 8.00 -0.99 -0.79 116.55 129.53 3i3b n ASP 659 Ca -0.12 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3i3b n ASP 659 Cb 0.42 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 3i3b n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3b n GLY 660 N -1.98 3.13 3.60 0.44 0.00 -1.26 -4.87 105.19 104.25 3i3b n GLY 660 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3i3b n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3b s LYS 661 N -0.37 3.78 0.09 1.61 1.02 0.03 -4.77 119.74 121.14 3i3b s LYS 661 Ca 0.00 0.57 -0.31 0.00 0.02 0.00 0.00 55.97 56.25 3i3b s LYS 661 Cb 0.00 -3.85 -0.09 0.00 -0.52 0.00 0.00 37.83 33.37 3i3b s LYS 661 CO 0.00 -1.12 1.79 -2.14 -0.92 0.00 0.00 175.35 172.95 3i3b s PRO 662 N 3.85 4.16 -0.19 -1.68 0.02 -1.26 0.36 135.00 140.25 3i3b s PRO 662 Ca 0.42 2.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.88 3i3b s PRO 662 Cb -0.10 -3.69 -0.10 0.00 0.02 0.00 0.00 34.50 30.63 3i3b s PRO 662 CO 0.24 -0.83 -0.22 1.28 -0.33 0.00 0.00 177.00 177.14 3i3b n LEU 663 N 5.97 1.96 -3.68 -5.54 4.77 -0.18 -4.90 117.00 115.40 3i3b n LEU 663 Ca 0.17 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 3i3b n LEU 663 Cb 0.39 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3i3b n LEU 663 CO 0.65 0.55 0.12 0.00 -1.33 0.00 0.00 177.39 177.39 3i3b s ALA 664 N -2.36 -0.80 0.37 -1.18 0.00 -0.99 -5.03 121.76 111.76 3i3b s ALA 664 Ca -0.27 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 3i3b s ALA 664 Cb 0.09 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.94 3i3b s ALA 664 CO 0.37 -0.63 0.79 -1.54 0.00 0.00 0.00 175.76 174.75 3i3b s SER 665 N -2.82 -0.03 0.00 0.00 1.04 -1.26 -0.77 113.70 109.86 3i3b s SER 665 Ca 0.04 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.41 3i3b s SER 665 Cb 0.02 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.97 3i3b s SER 665 CO -0.11 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.09 3i3b n GLY 666 N -0.53 -0.72 3.05 7.32 0.00 -0.93 -4.99 105.19 108.39 3i3b n GLY 666 Ca -0.08 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3i3b n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i3b s GLU 667 N -2.00 0.41 0.00 1.61 -1.05 -1.26 -0.65 118.70 115.76 3i3b s GLU 667 Ca 0.00 -0.52 0.02 0.00 -0.15 0.00 0.00 54.97 54.32 3i3b s GLU 667 Cb 0.00 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 3i3b s GLU 667 CO 0.00 -0.09 -0.07 0.08 0.95 0.00 0.00 175.26 176.13 3i3b s VAL 668 N -1.50 0.55 0.49 1.83 1.01 0.14 -4.97 120.40 117.95 3i3b s VAL 668 Ca -0.15 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3i3b s VAL 668 Cb -0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.75 3i3b s VAL 668 CO 0.00 0.09 1.22 -2.84 0.00 0.00 0.00 175.10 173.57 3i3b s PRO 669 N -0.33 3.52 -0.30 2.72 0.02 -1.26 -0.10 135.00 139.27 3i3b s PRO 669 Ca 0.01 1.91 -0.10 0.00 0.02 0.00 0.00 61.00 62.85 3i3b s PRO 669 Cb -0.03 -2.32 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 3i3b s PRO 669 CO -0.00 -0.79 0.15 -0.51 -0.33 0.00 0.00 177.00 175.52 3i3b s LEU 670 N -3.25 4.02 -0.56 -5.54 1.43 -1.13 -4.75 118.68 108.90 3i3b s LEU 670 Ca 0.67 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 3i3b s LEU 670 Cb -0.32 -2.01 0.19 0.00 0.03 0.00 0.00 46.19 44.09 3i3b s LEU 670 CO 0.38 -0.16 0.49 -0.67 0.23 0.00 0.00 176.35 176.62 3i3b n ASP 671 N 4.99 1.58 -4.20 2.29 2.03 -1.26 -4.70 116.55 117.27 3i3b n ASP 671 Ca -0.14 -2.90 -0.32 0.00 0.52 0.00 0.00 54.79 51.95 3i3b n ASP 671 Cb 0.50 -0.66 -0.17 0.00 -0.72 0.00 0.00 41.12 40.07 3i3b n ASP 671 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i3b s VAL 672 N -1.07 2.03 0.62 5.18 0.11 -1.26 -4.86 120.40 121.15 3i3b s VAL 672 Ca 0.31 -0.99 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 3i3b s VAL 672 Cb 0.04 -1.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3i3b s VAL 672 CO -0.15 0.55 1.06 0.00 -3.33 0.00 0.00 175.10 173.23 3i3b s ALA 673 N 0.48 2.69 0.28 1.54 0.00 -1.26 -2.31 121.76 123.17 3i3b s ALA 673 Ca -0.16 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 3i3b s ALA 673 Cb -0.17 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 3i3b s ALA 673 CO 0.06 -0.96 1.48 -0.35 0.00 0.00 0.00 175.76 175.99 3i3b n PRO 674 N -2.32 2.35 -0.86 0.00 -0.04 -1.23 0.75 135.00 133.65 3i3b n PRO 674 Ca 0.09 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3i3b n PRO 674 Cb 0.53 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 3i3b n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i3b n GLN 675 N 1.91 -0.52 -2.69 0.54 1.13 -0.78 -4.94 117.38 112.03 3i3b n GLN 675 Ca 0.09 0.13 -0.23 0.00 -1.94 0.00 0.00 57.00 55.05 3i3b n GLN 675 Cb 0.34 -3.82 0.11 0.00 0.11 0.00 0.00 30.24 26.98 3i3b n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i3b s GLY 676 N -2.00 1.73 0.14 1.08 0.00 0.23 -4.75 107.32 103.76 3i3b s GLY 676 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 44.72 42.82 3i3b s GLY 676 CO 0.00 -1.33 -0.10 0.54 0.00 0.00 0.00 173.10 172.21 3i3b s LYS 677 N -5.12 1.05 -0.05 2.90 1.02 -1.26 -0.92 119.74 117.37 3i3b s LYS 677 Ca 0.67 -1.44 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 3i3b s LYS 677 Cb -0.04 -0.62 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 3i3b s LYS 677 CO 0.44 0.08 0.15 -1.14 -0.92 0.00 0.00 175.35 173.96 3i3b s GLN 678 N -3.69 0.22 -0.21 1.68 0.74 -0.34 -4.80 119.66 113.25 3i3b s GLN 678 Ca 0.16 0.12 -0.05 0.00 0.05 0.00 0.00 55.36 55.64 3i3b s GLN 678 Cb 0.02 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.21 3i3b s GLN 678 CO 0.01 -0.03 0.01 -0.51 -0.55 0.00 0.00 175.29 174.21 3i3b s LEU 679 N -0.13 3.23 -0.27 3.68 1.43 -1.26 -1.05 118.68 124.30 3i3b s LEU 679 Ca -0.02 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3i3b s LEU 679 Cb -0.02 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3i3b s LEU 679 CO 0.00 0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 175.92 3i3b s ILE 680 N 1.22 2.52 -0.19 -0.59 1.01 0.59 -4.96 121.20 120.81 3i3b s ILE 680 Ca 0.03 -1.51 -0.26 0.00 0.00 0.00 0.00 60.65 58.92 3i3b s ILE 680 Cb -0.15 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 3i3b s ILE 680 CO 0.01 -0.05 0.87 -1.61 0.00 0.00 0.00 174.94 174.17 3i3b s GLU 681 N 1.17 4.28 0.33 2.79 8.01 -1.26 -0.37 118.70 133.64 3i3b s GLU 681 Ca -0.07 1.07 -0.27 0.00 0.01 0.00 0.00 54.97 55.72 3i3b s GLU 681 Cb -0.20 -3.60 -0.09 0.00 -4.31 0.00 0.00 34.13 25.93 3i3b s GLU 681 CO -0.03 -0.41 1.02 -0.51 0.01 0.00 0.00 175.26 175.33 3i3b s LEU 682 N 2.43 4.36 0.44 1.80 1.43 0.39 -4.98 118.68 124.55 3i3b s LEU 682 Ca 0.39 2.03 -0.24 0.00 -1.03 0.00 0.00 54.13 55.27 3i3b s LEU 682 Cb -0.16 -3.93 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 3i3b s LEU 682 CO 0.11 -0.20 1.14 -2.65 0.23 0.00 0.00 176.35 174.97 3i3b n PRO 683 N 0.61 1.58 -1.67 1.29 -0.02 -1.26 -4.83 135.00 130.70 3i3b n PRO 683 Ca 0.02 0.57 -0.46 0.00 -2.02 0.00 0.00 63.50 61.61 3i3b n PRO 683 Cb 0.48 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3i3b n PRO 683 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i3b n GLU 684 N -0.05 2.22 -4.83 -0.52 0.00 -1.26 -4.97 120.64 111.24 3i3b n GLU 684 Ca 0.09 0.80 -0.33 0.00 0.00 0.00 0.00 57.16 57.72 3i3b n GLU 684 Cb 0.40 -2.59 -0.13 0.00 0.00 0.00 0.00 31.44 29.12 3i3b n GLU 684 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3i3b s LEU 685 N 1.34 2.81 0.23 4.31 1.43 -1.26 -5.12 118.68 122.42 3i3b s LEU 685 Ca 0.80 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 3i3b s LEU 685 Cb -0.66 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 3i3b s LEU 685 CO 0.39 0.34 0.96 -2.16 0.23 0.00 0.00 176.35 176.12 3i3b s PRO 686 N -0.80 4.81 0.37 1.29 0.04 -1.26 -5.01 135.00 134.44 3i3b s PRO 686 Ca 0.12 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 3i3b s PRO 686 Cb -0.11 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 3i3b s PRO 686 CO 0.01 0.44 1.40 0.00 0.04 0.00 0.00 177.00 178.89 3i3b n GLN 687 N 1.62 2.43 -1.18 4.56 0.00 -1.26 -4.96 117.38 118.59 3i3b n GLN 687 Ca -0.01 0.85 -0.30 0.00 0.00 0.00 0.00 57.00 57.54 3i3b n GLN 687 Cb 0.47 -2.52 0.13 0.00 0.00 0.00 0.00 30.24 28.32 3i3b n GLN 687 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3i3b s PRO 688 N -2.02 1.47 0.00 2.61 0.04 -1.26 -5.03 135.00 130.80 3i3b s PRO 688 Ca 0.54 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.53 3i3b s PRO 688 Cb -0.51 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3i3b s PRO 688 CO 0.63 -2.13 0.00 0.39 0.04 0.00 0.00 177.00 175.93 3i3b n GLU 689 N -3.83 0.00 -0.80 4.56 -0.58 -1.26 -4.93 120.64 113.81 3i3b n GLU 689 Ca 0.08 0.21 -0.32 0.00 -0.42 0.00 0.00 57.16 56.70 3i3b n GLU 689 Cb 0.54 -0.68 0.14 0.00 -0.57 0.00 0.00 31.44 30.88 3i3b n GLU 689 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i3b n SER 690 N -1.31 -0.48 -4.87 1.62 2.88 -1.26 -4.99 113.62 105.21 3i3b n SER 690 Ca 0.00 0.42 -0.29 0.00 -1.33 0.00 0.00 58.87 57.67 3i3b n SER 690 Cb 0.00 -1.38 0.09 0.00 -0.75 0.00 0.00 64.21 62.17 3i3b n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3b s ALA 691 N -2.46 2.53 0.00 -1.46 0.00 -1.26 -4.98 121.76 114.14 3i3b s ALA 691 Ca 0.64 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3i3b s ALA 691 Cb -0.24 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3i3b s ALA 691 CO 0.60 -1.69 0.00 0.41 0.00 0.00 0.00 175.76 175.09 3i3b n GLY 692 N -3.02 0.90 3.63 0.00 0.00 0.58 -4.96 105.19 102.32 3i3b n GLY 692 Ca 0.08 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3i3b n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3b s GLN 693 N -1.27 3.99 0.02 1.61 2.00 -1.26 -0.81 119.66 123.95 3i3b s GLN 693 Ca 0.00 -0.33 -0.24 0.00 -2.00 0.00 0.00 55.36 52.80 3i3b s GLN 693 Cb 0.00 -3.31 -0.05 0.00 0.80 0.00 0.00 33.01 30.44 3i3b s GLN 693 CO 0.00 0.20 0.71 -0.51 -0.50 0.00 0.00 175.29 175.19 3i3b s LEU 694 N 0.61 4.43 -0.08 3.68 1.43 -0.45 -2.36 118.68 125.94 3i3b s LEU 694 Ca 0.05 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 3i3b s LEU 694 Cb -0.13 -3.13 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 3i3b s LEU 694 CO 0.01 0.03 -0.22 0.26 0.23 0.00 0.00 176.35 176.66 3i3b s TRP 695 N -0.02 2.31 -0.23 0.29 0.52 0.10 -0.60 118.94 121.31 3i3b s TRP 695 Ca 0.36 -0.83 -0.07 0.00 0.02 0.00 0.00 56.10 55.58 3i3b s TRP 695 Cb -0.20 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 3i3b s TRP 695 CO 0.21 -0.31 0.06 -1.17 0.02 0.00 0.00 176.95 175.76 3i3b s LEU 696 N 0.19 3.51 -0.13 2.99 2.96 -0.05 -1.13 118.68 127.02 3i3b s LEU 696 Ca -0.12 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3i3b s LEU 696 Cb -0.16 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3i3b s LEU 696 CO 0.06 0.02 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.01 3i3b s THR 697 N 1.31 1.95 -0.01 3.68 2.01 0.52 -1.14 115.64 123.95 3i3b s THR 697 Ca 0.05 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.21 3i3b s THR 697 Cb -0.15 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3i3b s THR 697 CO 0.03 0.53 -0.26 0.68 -0.69 0.00 0.00 174.62 174.92 3i3b s VAL 698 N 0.76 2.03 0.01 3.82 -7.23 -0.42 -0.44 120.40 118.93 3i3b s VAL 698 Ca -0.09 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 3i3b s VAL 698 Cb -0.16 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 3i3b s VAL 698 CO 0.00 0.56 -0.02 0.00 -0.31 0.00 0.00 175.10 175.33 3i3b s ARG 699 N -0.65 0.16 -0.22 4.82 1.70 0.11 -1.46 118.95 123.41 3i3b s ARG 699 Ca 0.10 -0.21 -0.16 0.00 -0.47 0.00 0.00 55.73 54.99 3i3b s ARG 699 Cb -0.10 -0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 3i3b s ARG 699 CO -0.01 0.01 0.40 0.08 -1.08 0.00 0.00 175.30 174.70 3i3b s VAL 700 N -0.44 5.19 -0.06 4.99 1.01 0.30 -0.24 120.40 131.15 3i3b s VAL 700 Ca -0.04 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.69 3i3b s VAL 700 Cb -0.03 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3i3b s VAL 700 CO -0.00 0.22 -0.22 -0.69 0.00 0.00 0.00 175.10 174.41 3i3b s VAL 701 N 1.50 2.34 -0.53 2.92 1.01 -0.26 -1.47 120.40 125.91 3i3b s VAL 701 Ca 0.18 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3i3b s VAL 701 Cb -0.15 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.44 3i3b s VAL 701 CO 0.08 0.57 0.61 -1.10 0.00 0.00 0.00 175.10 175.26 3i3b s GLN 702 N -0.29 3.06 0.19 2.72 -0.21 0.36 -1.43 119.66 124.05 3i3b s GLN 702 Ca 0.01 -1.19 -0.12 0.00 0.02 0.00 0.00 55.36 54.08 3i3b s GLN 702 Cb -0.13 -4.18 0.17 0.00 1.00 0.00 0.00 33.01 29.87 3i3b s GLN 702 CO 0.03 -1.31 1.79 -1.35 -2.12 0.00 0.00 175.29 172.32 3i3b h PRO 703 N 9.02 0.53 -6.08 2.91 0.11 -1.87 0.41 132.00 137.02 3i3b h PRO 703 Ca -0.29 -0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.20 3i3b h PRO 703 Cb 1.10 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3i3b h PRO 703 CO 1.01 0.35 -0.31 -0.80 -0.21 0.00 0.00 178.00 178.03 3i3b s ASN 704 N -5.52 6.53 0.63 -2.05 0.01 -1.26 -3.61 114.94 109.68 3i3b s ASN 704 Ca -0.13 0.63 -0.14 0.00 -0.71 0.00 0.00 52.86 52.51 3i3b s ASN 704 Cb 0.14 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 3i3b s ASN 704 CO 0.74 0.14 1.07 0.00 -1.51 0.00 0.00 177.10 177.54 3i3b s ALA 705 N -1.49 2.67 0.27 0.60 0.00 -1.26 -4.39 121.76 118.15 3i3b s ALA 705 Ca 0.35 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.67 3i3b s ALA 705 Cb -0.13 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3i3b s ALA 705 CO 0.21 -1.01 0.07 0.25 0.00 0.00 0.00 175.76 175.28 3i3b n THR 706 N -2.38 0.00 0.33 0.00 -2.24 0.44 -4.89 114.28 105.54 3i3b n THR 706 Ca 0.09 -1.46 0.15 0.00 -2.27 0.00 0.00 64.05 60.55 3i3b n THR 706 Cb 0.53 0.47 0.62 0.00 -2.10 0.00 0.00 70.33 69.85 3i3b n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b h ALA 707 N 1.36 1.00 -0.00 6.98 0.00 -1.99 -3.18 119.26 123.42 3i3b h ALA 707 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i3b h ALA 707 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i3b h ALA 707 CO 0.34 0.00 -0.03 -2.67 0.00 0.00 0.00 179.25 176.88 3i3b n TRP 708 N -2.68 0.00 -4.03 0.00 4.27 -1.26 -5.05 117.44 108.68 3i3b n TRP 708 Ca 0.01 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.53 3i3b n TRP 708 Cb 0.25 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.11 3i3b n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3i3b s SER 709 N -0.73 0.26 0.30 -0.67 1.04 -1.20 -4.70 113.70 108.00 3i3b s SER 709 Ca 0.01 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.51 3i3b s SER 709 Cb 0.01 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 3i3b s SER 709 CO 0.04 -0.73 0.46 -1.61 0.98 0.00 0.00 173.24 172.37 3i3b s GLU 710 N -3.96 3.34 0.50 4.02 2.02 -1.26 -0.42 118.70 122.95 3i3b s GLU 710 Ca 0.14 -0.69 -0.23 0.00 0.02 0.00 0.00 54.97 54.21 3i3b s GLU 710 Cb 0.06 -2.79 -0.07 0.00 0.10 0.00 0.00 34.13 31.43 3i3b s GLU 710 CO -0.05 0.22 1.27 0.00 0.02 0.00 0.00 175.26 176.72 3i3b n ALA 711 N -1.61 1.28 -0.19 5.21 0.00 -1.26 -2.13 120.51 121.81 3i3b n ALA 711 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i3b n ALA 711 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3i3b n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3b n GLY 712 N 0.85 1.47 3.64 0.00 0.00 0.14 -4.92 105.19 106.37 3i3b n GLY 712 Ca 0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 3i3b n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i3b n HIS 713 N -2.00 1.97 -3.48 1.61 -0.00 -0.91 -4.56 115.22 107.85 3i3b n HIS 713 Ca 0.00 0.44 -0.38 0.00 0.46 0.00 0.00 57.72 58.23 3i3b n HIS 713 Cb 0.00 -2.45 -0.09 0.00 -0.12 0.00 0.00 29.99 27.33 3i3b n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3i3b s ILE 714 N 0.47 5.24 -0.08 3.57 1.01 -1.26 -0.49 121.20 129.66 3i3b s ILE 714 Ca 0.77 0.44 0.19 0.00 0.00 0.00 0.00 60.65 62.05 3i3b s ILE 714 Cb -0.75 -3.63 -0.29 0.00 0.01 0.00 0.00 42.46 37.79 3i3b s ILE 714 CO 0.44 0.22 0.45 -1.54 0.00 0.00 0.00 174.94 174.51 3i3b n SER 715 N 4.96 0.61 -3.44 3.58 3.41 -0.54 -5.02 113.62 117.18 3i3b n SER 715 Ca -0.11 -0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.33 3i3b n SER 715 Cb 0.51 1.83 -0.02 0.00 -0.26 0.00 0.00 64.21 66.27 3i3b n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b s ALA 716 N -3.30 -1.61 0.08 7.33 0.00 -1.25 -4.70 121.76 118.31 3i3b s ALA 716 Ca -0.06 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 3i3b s ALA 716 Cb 0.12 0.84 0.08 0.00 0.00 0.00 0.00 23.12 24.17 3i3b s ALA 716 CO 0.80 -0.77 0.79 1.67 0.00 0.00 0.00 175.76 178.25 3i3b s TRP 717 N -3.69 -0.38 -0.08 0.00 -2.14 -1.26 -0.54 118.94 110.84 3i3b s TRP 717 Ca 0.02 0.19 -0.30 0.00 2.66 0.00 0.00 56.10 58.67 3i3b s TRP 717 Cb -0.01 0.56 0.08 0.00 -3.10 0.00 0.00 33.47 31.00 3i3b s TRP 717 CO -0.12 -0.71 0.73 -1.14 -2.66 0.00 0.00 176.95 173.04 3i3b s GLN 718 N -3.39 0.98 0.11 3.25 2.00 -0.53 -5.00 119.66 117.07 3i3b s GLN 718 Ca 0.05 0.31 0.08 0.00 -2.00 0.00 0.00 55.36 53.79 3i3b s GLN 718 Cb -0.01 0.46 -0.04 0.00 0.80 0.00 0.00 33.01 34.22 3i3b s GLN 718 CO -0.09 -0.29 -0.19 -0.65 -0.50 0.00 0.00 175.29 173.57 3i3b s GLN 719 N -1.03 1.10 0.01 1.67 -0.21 -1.26 -1.31 119.66 118.63 3i3b s GLN 719 Ca -0.09 -1.18 -0.05 0.00 0.02 0.00 0.00 55.36 54.06 3i3b s GLN 719 Cb -0.01 -1.26 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 3i3b s GLN 719 CO 0.08 0.28 0.08 -1.58 -2.12 0.00 0.00 175.29 172.03 3i3b s TRP 720 N -1.42 0.13 -0.09 0.91 0.51 -0.29 -5.00 118.94 113.69 3i3b s TRP 720 Ca 0.07 -0.29 -0.20 0.00 -2.12 0.00 0.00 56.10 53.55 3i3b s TRP 720 Cb -0.09 -0.10 -0.04 0.00 -0.81 0.00 0.00 33.47 32.43 3i3b s TRP 720 CO 0.04 -0.26 0.58 1.03 -0.51 0.00 0.00 176.95 177.83 3i3b s ARG 721 N -1.50 4.37 0.00 4.98 0.52 -1.26 -0.87 118.95 125.20 3i3b s ARG 721 Ca -0.15 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 3i3b s ARG 721 Cb -0.08 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3i3b s ARG 721 CO 0.00 0.14 0.00 1.28 0.02 0.00 0.00 175.30 176.75 3i3b n LEU 722 N 3.62 0.00 -4.76 2.53 4.77 0.24 -4.93 117.00 118.46 3i3b n LEU 722 Ca -0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 3i3b n LEU 722 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3i3b n LEU 722 CO 0.45 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.48 3i3b s ALA 723 N -2.94 3.13 -0.03 -1.18 0.00 -1.26 -4.64 121.76 114.84 3i3b s ALA 723 Ca 0.00 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.27 3i3b s ALA 723 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3i3b s ALA 723 CO 0.00 -0.98 -0.19 -2.00 0.00 0.00 0.00 175.76 172.59 3i3b s GLU 724 N -2.48 1.78 -0.29 0.00 2.12 -1.26 -1.35 118.70 117.22 3i3b s GLU 724 Ca 0.62 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 55.28 3i3b s GLU 724 Cb -0.38 -1.61 0.07 0.00 0.26 0.00 0.00 34.13 32.46 3i3b s GLU 724 CO 0.48 0.34 -0.04 -0.80 -0.54 0.00 0.00 175.26 174.69 3i3b s ASN 725 N -0.20 4.63 0.00 -1.70 0.01 0.01 -4.98 114.94 112.72 3i3b s ASN 725 Ca 0.01 -1.55 -0.30 0.00 -0.71 0.00 0.00 52.86 50.31 3i3b s ASN 725 Cb -0.10 -1.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.90 3i3b s ASN 725 CO 0.01 -0.26 1.40 -0.76 -1.51 0.00 0.00 177.10 175.98 3i3b s LEU 726 N 1.09 4.32 0.11 0.60 1.43 -1.26 -0.31 118.68 124.66 3i3b s LEU 726 Ca -0.04 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 54.86 3i3b s LEU 726 Cb -0.20 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3i3b s LEU 726 CO -0.05 -0.72 1.69 -0.55 0.23 0.00 0.00 176.35 176.96 3i3b s SER 727 N 1.86 6.54 0.00 2.29 0.15 -1.26 -4.86 113.70 118.42 3i3b s SER 727 Ca 0.64 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.89 3i3b s SER 727 Cb -0.31 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 3i3b s SER 727 CO 0.26 -0.91 0.40 1.33 1.20 0.00 0.00 173.24 175.52 3i3b n VAL 728 N 4.54 0.00 -2.54 4.45 0.24 -1.26 -5.02 118.33 118.74 3i3b n VAL 728 Ca 0.16 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 61.59 3i3b n VAL 728 Cb 0.39 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 3i3b n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i3b s THR 729 N -0.10 4.46 0.21 3.34 -4.23 -1.26 -5.01 115.64 113.05 3i3b s THR 729 Ca 0.00 1.76 -0.30 0.00 -1.18 0.00 0.00 61.69 61.97 3i3b s THR 729 Cb 0.00 -4.13 -0.08 0.00 1.34 0.00 0.00 72.50 69.63 3i3b s THR 729 CO 0.00 -0.05 1.12 -0.76 -0.54 0.00 0.00 174.62 174.39 3i3b s LEU 730 N 2.52 4.50 0.51 4.79 1.02 -1.26 -5.00 118.68 125.76 3i3b s LEU 730 Ca 0.52 2.16 -0.22 0.00 0.02 0.00 0.00 54.13 56.61 3i3b s LEU 730 Cb -0.21 -3.61 -0.06 0.00 0.02 0.00 0.00 46.19 42.33 3i3b s LEU 730 CO 0.17 -0.22 1.28 -2.16 0.02 0.00 0.00 176.35 175.44 3i3b s PRO 731 N -0.64 3.38 0.13 1.29 0.04 -1.26 -4.90 135.00 133.03 3i3b s PRO 731 Ca 0.49 2.05 -0.33 0.00 0.04 0.00 0.00 61.00 63.24 3i3b s PRO 731 Cb -0.31 -2.31 -0.13 0.00 0.04 0.00 0.00 34.50 31.79 3i3b s PRO 731 CO 0.37 -0.94 1.66 0.00 0.04 0.00 0.00 177.00 178.12 3i3b n ALA 732 N -0.83 1.56 -1.70 8.56 0.00 -1.26 -4.88 120.51 121.97 3i3b n ALA 732 Ca 0.09 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 3i3b n ALA 732 Cb 0.46 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 3i3b n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3b n ALA 733 N 4.07 2.23 -1.40 0.00 0.00 -1.26 -4.97 120.51 119.17 3i3b n ALA 733 Ca 0.18 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 3i3b n ALA 733 Cb 0.30 -2.49 0.07 0.00 0.00 0.00 0.00 19.45 17.33 3i3b n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i3b s SER 734 N 1.55 4.90 -0.21 0.00 1.04 -1.26 -4.98 113.70 114.73 3i3b s SER 734 Ca 0.78 1.83 0.10 0.00 0.48 0.00 0.00 55.95 59.15 3i3b s SER 734 Cb -0.55 -2.53 -0.22 0.00 0.10 0.00 0.00 66.02 62.82 3i3b s SER 734 CO 0.36 -1.77 -0.00 1.41 0.98 0.00 0.00 173.24 174.21 3i3b n HIS 735 N -3.06 0.12 -2.62 5.02 8.25 -1.26 -4.99 115.22 116.66 3i3b n HIS 735 Ca 0.09 0.03 -0.26 0.00 -0.26 0.00 0.00 57.72 57.33 3i3b n HIS 735 Cb 0.53 -1.02 0.02 0.00 1.12 0.00 0.00 29.99 30.64 3i3b n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i3b s ALA 736 N -2.51 3.46 0.02 -1.41 0.00 -1.26 -5.11 121.76 114.94 3i3b s ALA 736 Ca -0.20 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3i3b s ALA 736 Cb 0.07 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 3i3b s ALA 736 CO 0.73 -0.58 -0.17 0.42 0.00 0.00 0.00 175.76 176.16 3i3b s ILE 737 N -2.81 1.35 0.37 0.00 1.01 -1.26 -3.98 121.20 115.88 3i3b s ILE 737 Ca 0.51 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 3i3b s ILE 737 Cb -0.10 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.11 3i3b s ILE 737 CO 0.43 0.23 1.14 -2.84 0.00 0.00 0.00 174.94 173.89 3i3b s PRO 738 N -0.80 4.23 -0.15 2.79 0.02 -1.26 -4.91 135.00 134.92 3i3b s PRO 738 Ca 0.05 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 3i3b s PRO 738 Cb -0.07 -2.79 -0.05 0.00 0.02 0.00 0.00 34.50 31.61 3i3b s PRO 738 CO 0.01 -0.15 0.22 -1.01 -0.33 0.00 0.00 177.00 175.73 3i3b s HIS 739 N -1.39 3.51 -0.13 6.54 3.76 0.12 -4.77 115.29 122.93 3i3b s HIS 739 Ca 0.54 0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 55.94 3i3b s HIS 739 Cb -0.30 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 3i3b s HIS 739 CO 0.38 0.42 0.04 -1.17 -0.85 0.00 0.00 174.74 173.56 3i3b s LEU 740 N -0.11 3.76 -0.13 0.89 2.96 -1.26 -1.02 118.68 123.77 3i3b s LEU 740 Ca 0.14 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3i3b s LEU 740 Cb -0.12 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.69 3i3b s LEU 740 CO 0.03 0.30 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.38 3i3b s THR 741 N -0.37 1.19 0.06 3.68 2.01 0.71 -5.00 115.64 117.91 3i3b s THR 741 Ca 0.08 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.67 3i3b s THR 741 Cb -0.12 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3i3b s THR 741 CO 0.02 0.36 0.12 -0.89 -0.69 0.00 0.00 174.62 173.54 3i3b s THR 742 N 1.64 4.87 0.23 -0.82 2.01 -1.26 -0.98 115.64 121.33 3i3b s THR 742 Ca 0.04 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 3i3b s THR 742 Cb -0.13 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 3i3b s THR 742 CO -0.09 0.18 0.43 -0.94 -0.69 0.00 0.00 174.62 173.51 3i3b s SER 743 N -2.30 -0.07 0.30 3.53 1.04 -0.75 -5.01 113.70 110.45 3i3b s SER 743 Ca 0.30 -0.93 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 3i3b s SER 743 Cb -0.12 0.55 0.47 0.00 0.10 0.00 0.00 66.02 67.02 3i3b s SER 743 CO 0.22 -1.08 1.89 -0.08 0.98 0.00 0.00 173.24 175.17 3i3b h GLU 744 N 2.31 0.83 0.00 4.02 4.81 -2.03 -3.18 114.58 121.34 3i3b h GLU 744 Ca -0.28 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3i3b h GLU 744 Cb 1.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3i3b h GLU 744 CO 0.38 0.68 -0.93 -1.33 -0.73 0.00 0.00 179.01 177.09 3i3b n MET 745 N -4.33 0.31 -3.83 1.92 2.81 -1.26 -4.76 117.12 107.99 3i3b n MET 745 Ca 0.05 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.87 3i3b n MET 745 Cb 0.17 -1.63 -0.06 0.00 -0.71 0.00 0.00 33.22 30.99 3i3b n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i3b s ASP 746 N -4.08 -0.04 -0.29 7.83 1.01 -1.20 -0.63 116.67 119.26 3i3b s ASP 746 Ca 0.04 -0.63 0.02 0.00 0.71 0.00 0.00 52.55 52.69 3i3b s ASP 746 Cb 0.14 0.44 0.08 0.00 1.01 0.00 0.00 42.92 44.59 3i3b s ASP 746 CO 0.78 -0.86 0.01 -0.36 0.21 0.00 0.00 175.17 174.95 3i3b s PHE 747 N -3.89 2.96 -0.16 4.23 0.08 -0.20 -1.81 117.98 119.20 3i3b s PHE 747 Ca 0.09 -2.35 -0.06 0.00 0.12 0.00 0.00 56.93 54.73 3i3b s PHE 747 Cb 0.03 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3i3b s PHE 747 CO -0.06 -0.88 0.06 0.00 -0.10 0.00 0.00 175.22 174.23 3i3b s ILE 749 N 0.03 2.27 -0.02 0.00 1.01 0.53 -0.21 121.20 124.81 3i3b s ILE 749 Ca 0.05 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3i3b s ILE 749 Cb -0.12 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 3i3b s ILE 749 CO 0.01 0.57 -0.11 -0.70 0.00 0.00 0.00 174.94 174.72 3i3b s GLU 750 N -0.32 1.00 -0.23 2.79 2.12 -0.18 -0.40 118.70 123.48 3i3b s GLU 750 Ca 0.01 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 3i3b s GLU 750 Cb -0.13 -0.94 0.11 0.00 0.26 0.00 0.00 34.13 33.44 3i3b s GLU 750 CO 0.02 0.18 0.28 -1.17 -0.54 0.00 0.00 175.26 174.04 3i3b s LEU 751 N -0.03 -0.29 0.00 2.70 2.96 0.26 -0.70 118.68 123.58 3i3b s LEU 751 Ca 0.00 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3i3b s LEU 751 Cb -0.07 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.24 3i3b s LEU 751 CO 0.00 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 3i3b n GLY 752 N 5.33 3.62 0.77 7.98 0.00 -1.26 -0.76 105.19 120.87 3i3b n GLY 752 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3i3b n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i3b n ASN 753 N 5.39 2.15 -4.35 1.61 6.94 -1.26 -4.86 115.26 120.88 3i3b n ASN 753 Ca 0.00 -2.17 -0.30 0.00 -0.02 0.00 0.00 54.58 52.09 3i3b n ASN 753 Cb 0.00 -0.37 -0.15 0.00 -2.36 0.00 0.00 39.78 36.91 3i3b n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3i3b s LYS 754 N -1.65 1.87 0.01 -3.83 1.02 0.06 0.20 119.74 117.43 3i3b s LYS 754 Ca 0.20 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.09 3i3b s LYS 754 Cb 0.13 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 3i3b s LYS 754 CO 0.10 0.52 0.03 1.03 -0.92 0.00 0.00 175.35 176.11 3i3b s ARG 755 N -1.16 0.37 -0.00 1.68 0.52 -0.58 -0.58 118.95 119.20 3i3b s ARG 755 Ca 0.12 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 3i3b s ARG 755 Cb -0.10 0.14 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 3i3b s ARG 755 CO 0.02 -0.07 -0.08 -1.58 0.02 0.00 0.00 175.30 173.61 3i3b s TRP 756 N -1.47 0.69 -0.11 -0.53 0.51 0.46 -1.01 118.94 117.50 3i3b s TRP 756 Ca -0.15 -0.14 -0.00 0.00 -2.12 0.00 0.00 56.10 53.68 3i3b s TRP 756 Cb -0.09 -0.44 0.02 0.00 -0.81 0.00 0.00 33.47 32.15 3i3b s TRP 756 CO -0.00 -0.01 -0.08 -1.14 -0.51 0.00 0.00 176.95 175.21 3i3b s GLN 757 N -0.23 1.51 -0.22 4.98 0.74 0.16 -0.35 119.66 126.24 3i3b s GLN 757 Ca 0.03 -0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.13 3i3b s GLN 757 Cb -0.03 -1.54 -0.02 0.00 1.10 0.00 0.00 33.01 32.52 3i3b s GLN 757 CO -0.00 -0.24 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.43 3i3b s PHE 758 N 1.60 3.00 -0.13 1.67 0.40 -0.36 -0.70 117.98 123.47 3i3b s PHE 758 Ca 0.03 -0.71 -0.29 0.00 -0.60 0.00 0.00 56.93 55.35 3i3b s PHE 758 Cb -0.13 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 3i3b s PHE 758 CO -0.07 -0.44 1.16 1.21 0.70 0.00 0.00 175.22 177.78 3i3b s ASN 759 N 1.41 7.06 0.08 1.36 3.84 -0.64 -1.03 114.94 127.01 3i3b s ASN 759 Ca 0.05 1.65 0.25 0.00 0.21 0.00 0.00 52.86 55.03 3i3b s ASN 759 Cb -0.15 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 39.01 3i3b s ASN 759 CO -0.00 -0.63 1.80 0.54 -2.79 0.00 0.00 177.10 176.01 3i3b n ARG 760 N 5.80 0.08 0.04 0.43 1.74 0.20 0.19 116.66 125.14 3i3b n ARG 760 Ca 0.12 0.13 -0.19 0.00 -0.77 0.00 0.00 57.85 57.14 3i3b n ARG 760 Cb 0.46 -1.61 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 3i3b n ARG 760 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i3b h GLN 761 N 0.00 0.26 0.00 5.56 4.15 -1.88 -3.38 115.11 119.82 3i3b h GLN 761 Ca 0.00 -0.45 -0.19 0.00 0.77 0.00 0.00 58.65 58.78 3i3b h GLN 761 Cb 0.51 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 3i3b h GLN 761 CO 0.00 1.12 -2.07 -1.13 -1.93 0.00 0.00 178.83 174.82 3i3b n SER 762 N -3.45 0.16 -0.23 -0.69 3.41 -1.21 -4.82 113.62 106.79 3i3b n SER 762 Ca -0.23 0.07 -0.03 0.00 -0.26 0.00 0.00 58.87 58.42 3i3b n SER 762 Cb 1.05 1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 66.21 3i3b n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3b n GLY 763 N 1.50 0.52 3.39 5.00 0.00 0.13 -4.77 105.19 110.96 3i3b n GLY 763 Ca -0.18 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 3i3b n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3b s PHE 764 N -2.11 2.00 -0.32 1.61 0.08 -1.21 -4.92 117.98 113.11 3i3b s PHE 764 Ca 0.00 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 3i3b s PHE 764 Cb 0.00 -0.94 -0.01 0.00 -0.57 0.00 0.00 43.02 41.50 3i3b s PHE 764 CO 0.00 0.46 1.50 -1.17 -0.10 0.00 0.00 175.22 175.92 3i3b s LEU 765 N -3.01 3.73 0.04 -0.37 2.96 -1.26 -1.63 118.68 119.14 3i3b s LEU 765 Ca 0.22 1.21 0.22 0.00 -0.22 0.00 0.00 54.13 55.56 3i3b s LEU 765 Cb -0.05 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.98 3i3b s LEU 765 CO 0.09 -1.35 0.82 -1.54 -1.32 0.00 0.00 176.35 173.06 3i3b n SER 766 N 8.66 0.48 -3.56 3.68 3.41 0.13 -1.53 113.62 124.89 3i3b n SER 766 Ca 0.18 -0.12 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 3i3b n SER 766 Cb 0.47 1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 65.55 3i3b n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i3b s GLN 767 N -3.32 0.74 0.05 4.33 2.00 -1.18 -4.51 119.66 117.77 3i3b s GLN 767 Ca -0.01 0.14 0.02 0.00 -2.00 0.00 0.00 55.36 53.51 3i3b s GLN 767 Cb 0.14 0.35 -0.03 0.00 0.80 0.00 0.00 33.01 34.27 3i3b s GLN 767 CO 0.85 -0.24 -0.06 -1.64 -0.50 0.00 0.00 175.29 173.69 3i3b s MET 768 N -1.28 0.55 -0.07 1.67 -1.94 -1.26 -0.67 119.30 116.29 3i3b s MET 768 Ca -0.04 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 3i3b s MET 768 Cb -0.00 -0.17 0.02 0.00 2.01 0.00 0.00 34.83 36.69 3i3b s MET 768 CO 0.03 0.01 -0.05 -1.58 -0.01 0.00 0.00 175.02 173.42 3i3b s TRP 769 N -1.95 1.02 -0.29 -0.03 0.51 -0.18 -1.31 118.94 116.72 3i3b s TRP 769 Ca -0.06 -0.39 -0.05 0.00 -2.12 0.00 0.00 56.10 53.48 3i3b s TRP 769 Cb -0.06 -0.91 0.02 0.00 -0.81 0.00 0.00 33.47 31.70 3i3b s TRP 769 CO -0.01 -0.33 0.05 0.42 -0.51 0.00 0.00 176.95 176.57 3i3b s ILE 770 N 1.40 3.69 0.00 2.03 1.01 -1.14 -1.53 121.20 126.66 3i3b s ILE 770 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3i3b s ILE 770 Cb -0.13 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3i3b s ILE 770 CO -0.03 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3i3b n GLY 771 N 4.81 1.86 0.79 6.18 0.00 0.54 -2.56 105.19 116.80 3i3b n GLY 771 Ca -0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i3b n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3b n ASP 772 N 8.50 0.05 -4.73 1.61 8.00 -1.26 -4.55 116.55 124.17 3i3b n ASP 772 Ca 0.00 -1.73 -0.35 0.00 0.71 0.00 0.00 54.79 53.42 3i3b n ASP 772 Cb 0.00 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 3i3b n ASP 772 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3i3b s LYS 773 N 0.00 4.07 0.49 -1.24 2.20 -1.06 -5.06 119.74 119.14 3i3b s LYS 773 Ca 0.07 -0.23 -0.24 0.00 -0.36 0.00 0.00 55.97 55.21 3i3b s LYS 773 Cb 0.08 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3i3b s LYS 773 CO -0.04 0.35 1.38 0.15 -0.36 0.00 0.00 175.35 176.83 3i3b s LYS 774 N 0.21 3.44 -0.00 4.03 1.02 -1.26 -2.88 119.74 124.29 3i3b s LYS 774 Ca 0.08 2.29 0.05 0.00 0.02 0.00 0.00 55.97 58.41 3i3b s LYS 774 Cb -0.11 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 3i3b s LYS 774 CO -0.01 -0.97 0.17 1.04 -0.92 0.00 0.00 175.35 174.66 3i3b n GLN 775 N -0.59 3.06 -4.80 1.68 1.13 -0.42 -4.81 117.38 112.63 3i3b n GLN 775 Ca 0.08 -0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.83 3i3b n GLN 775 Cb 0.44 -0.91 -0.14 0.00 0.11 0.00 0.00 30.24 29.73 3i3b n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3b s LEU 776 N -2.73 2.18 -0.09 1.08 1.43 -1.26 -1.21 118.68 118.07 3i3b s LEU 776 Ca 0.00 -0.58 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3i3b s LEU 776 Cb 0.04 -1.19 -0.15 0.00 0.03 0.00 0.00 46.19 44.92 3i3b s LEU 776 CO 0.21 0.22 0.10 0.18 0.23 0.00 0.00 176.35 177.30 3i3b n LEU 777 N 1.75 0.00 -3.93 1.79 4.77 0.12 -4.71 117.00 116.78 3i3b n LEU 777 Ca -0.17 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 3i3b n LEU 777 Cb 0.52 0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.68 3i3b n LEU 777 CO 0.23 0.20 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.22 3i3b s THR 778 N -2.43 0.25 0.89 -5.08 2.01 -1.18 -4.95 115.64 105.16 3i3b s THR 778 Ca -0.05 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 3i3b s THR 778 Cb 0.05 -0.24 0.11 0.00 0.01 0.00 0.00 72.50 72.43 3i3b s THR 778 CO 0.47 0.01 1.06 -2.65 -0.69 0.00 0.00 174.62 172.82 3i3b n PRO 779 N 2.84 -0.24 -2.66 4.92 -0.02 -1.26 -3.49 135.00 135.08 3i3b n PRO 779 Ca -0.14 -0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 3i3b n PRO 779 Cb 0.58 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3i3b n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i3b s LEU 780 N -5.49 3.66 0.29 2.45 2.96 -0.58 -4.45 118.68 117.52 3i3b s LEU 780 Ca 0.68 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.77 3i3b s LEU 780 Cb -0.25 -3.20 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 3i3b s LEU 780 CO 0.57 -1.34 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.05 3i3b s ARG 781 N 4.54 1.60 0.53 1.98 0.52 -0.61 -4.16 118.95 123.35 3i3b s ARG 781 Ca 0.41 -1.80 -0.19 0.00 -0.52 0.00 0.00 55.73 53.63 3i3b s ARG 781 Cb -0.08 -1.30 -0.06 0.00 0.52 0.00 0.00 34.95 34.03 3i3b s ARG 781 CO 0.26 0.08 1.08 -0.51 0.02 0.00 0.00 175.30 176.24 3i3b s ASP 782 N -3.47 5.94 -0.03 0.23 1.11 -1.26 -0.99 116.67 118.20 3i3b s ASP 782 Ca 0.30 2.03 0.01 0.00 0.18 0.00 0.00 52.55 55.07 3i3b s ASP 782 Cb 0.03 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.48 3i3b s ASP 782 CO 0.13 -1.06 -0.01 -1.58 1.18 0.00 0.00 175.17 173.82 3i3b s GLN 783 N -3.39 0.43 -0.02 8.23 0.74 0.56 -4.80 119.66 121.42 3i3b s GLN 783 Ca 0.69 0.03 0.03 0.00 0.05 0.00 0.00 55.36 56.16 3i3b s GLN 783 Cb -0.20 -0.57 0.04 0.00 1.10 0.00 0.00 33.01 33.39 3i3b s GLN 783 CO 0.26 -0.12 0.98 1.19 -0.55 0.00 0.00 175.29 177.05 3i3b n PHE 784 N 4.11 0.00 -4.31 1.67 3.72 -1.26 -2.02 117.46 119.36 3i3b n PHE 784 Ca -0.26 -0.52 -0.17 0.00 -0.05 0.00 0.00 57.45 56.45 3i3b n PHE 784 Cb 0.50 -0.06 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 3i3b n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3i3b s THR 785 N -1.18 0.42 0.04 4.37 -4.23 -1.26 -3.05 115.64 110.75 3i3b s THR 785 Ca 0.05 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 3i3b s THR 785 Cb 0.04 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3i3b s THR 785 CO 0.00 0.00 0.19 0.00 -0.54 0.00 0.00 174.62 174.27 3i3b s ARG 786 N -3.97 0.67 -0.04 3.99 1.70 -1.26 -4.74 118.95 115.30 3i3b s ARG 786 Ca 0.37 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 3i3b s ARG 786 Cb 0.07 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 3i3b s ARG 786 CO 0.15 -0.19 1.80 0.00 -1.08 0.00 0.00 175.30 175.98 3i3b s ALA 787 N -2.49 3.52 0.14 7.88 0.00 -1.26 -4.86 121.76 124.69 3i3b s ALA 787 Ca -0.06 1.04 -0.35 0.00 0.00 0.00 0.00 51.96 52.59 3i3b s ALA 787 Cb -0.01 -3.81 -0.15 0.00 0.00 0.00 0.00 23.12 19.15 3i3b s ALA 787 CO -0.04 -1.59 1.50 -0.35 0.00 0.00 0.00 175.76 175.28 3i3b n PRO 788 N 7.43 1.84 -1.81 0.00 -0.04 -1.26 -1.38 135.00 139.78 3i3b n PRO 788 Ca 0.19 0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 64.02 3i3b n PRO 788 Cb 0.42 -2.39 0.09 0.00 -0.04 0.00 0.00 33.50 31.59 3i3b n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i3b s LEU 789 N 0.75 2.45 0.31 1.53 1.43 -1.26 -4.62 118.68 119.27 3i3b s LEU 789 Ca 0.80 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.81 3i3b s LEU 789 Cb -0.76 -3.37 0.62 0.00 0.03 0.00 0.00 46.19 42.70 3i3b s LEU 789 CO 0.41 -1.98 1.87 0.44 0.23 0.00 0.00 176.35 177.32 3i3b h ASP 790 N -1.11 0.85 0.72 2.29 5.19 -1.87 -0.80 116.42 121.68 3i3b h ASP 790 Ca -0.47 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 55.90 3i3b h ASP 790 Cb 1.32 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3i3b h ASP 790 CO 0.65 0.48 -0.35 0.78 -3.12 0.00 0.00 179.24 177.68 3i3b h ASN 791 N 0.93 0.00 0.54 6.45 2.35 -1.85 0.01 115.58 124.00 3i3b h ASN 791 Ca 0.45 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.01 3i3b h ASN 791 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3i3b h ASN 791 CO -0.21 0.35 -0.85 0.44 -1.65 0.00 0.00 177.43 175.51 3i3b h ASP 792 N 0.00 0.28 0.08 5.81 3.32 -1.47 -3.28 116.42 121.16 3i3b h ASP 792 Ca -0.00 -0.22 -0.19 0.00 0.02 0.00 0.00 57.03 56.64 3i3b h ASP 792 Cb 0.80 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 40.29 3i3b h ASP 792 CO 0.05 1.01 -0.81 0.40 -1.72 0.00 0.00 179.24 178.17 3i3b h ILE 793 N 0.13 1.44 -5.94 0.35 2.04 -1.23 -0.08 117.51 114.22 3i3b h ILE 793 Ca -0.04 -2.34 -0.26 0.00 1.00 0.00 0.00 64.86 63.22 3i3b h ILE 793 Cb 1.47 2.88 0.04 0.00 -0.74 0.00 0.00 36.82 40.47 3i3b h ILE 793 CO 0.13 0.68 -0.59 0.61 0.00 0.00 0.00 178.15 178.98 3i3b n GLY 794 N 1.38 -1.19 2.68 5.37 0.00 -0.03 -4.82 105.19 108.59 3i3b n GLY 794 Ca -0.12 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 3i3b n GLY 794 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3b s VAL 795 N -3.15 0.55 -1.17 1.61 -7.23 -1.15 -4.58 120.40 105.27 3i3b s VAL 795 Ca 0.16 -1.05 0.29 0.00 -1.81 0.00 0.00 61.98 59.57 3i3b s VAL 795 Cb -0.05 -1.35 0.29 0.00 0.56 0.00 0.00 36.38 35.83 3i3b s VAL 795 CO 0.81 -0.59 1.87 -1.54 -0.31 0.00 0.00 175.10 175.34 3i3b n SER 796 N 5.00 0.13 -3.59 4.85 3.41 -1.26 -4.58 113.62 117.58 3i3b n SER 796 Ca -0.05 0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 3i3b n SER 796 Cb 0.43 -0.29 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 3i3b n SER 796 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i3b s GLU 797 N -2.85 0.13 0.00 4.33 2.02 -1.26 -4.85 118.70 116.22 3i3b s GLU 797 Ca 0.18 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.62 3i3b s GLU 797 Cb 0.19 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.78 3i3b s GLU 797 CO 0.53 -0.46 0.37 0.00 0.02 0.00 0.00 175.26 175.73 3i3b n ALA 798 N 5.33 1.21 0.49 5.21 0.00 -1.26 -0.94 120.51 130.55 3i3b n ALA 798 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.50 3i3b n ALA 798 Cb 0.50 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 3i3b n ALA 798 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i3b n THR 799 N -0.87 0.13 -3.70 0.00 -1.04 -1.26 -4.90 114.28 102.64 3i3b n THR 799 Ca 0.00 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.05 61.37 3i3b n THR 799 Cb 0.00 0.26 -0.11 0.00 -1.82 0.00 0.00 70.33 68.66 3i3b n THR 799 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i3b s ARG 800 N -3.24 3.92 -0.89 -2.82 0.52 -0.12 -5.03 118.95 111.29 3i3b s ARG 800 Ca 0.02 -0.34 -0.05 0.00 -0.52 0.00 0.00 55.73 54.83 3i3b s ARG 800 Cb 0.14 -3.49 0.22 0.00 0.52 0.00 0.00 34.95 32.35 3i3b s ARG 800 CO 0.83 -0.05 0.80 0.42 0.02 0.00 0.00 175.30 177.32 3i3b s ILE 801 N 1.34 4.82 -0.32 1.52 1.09 -1.26 -4.88 121.20 123.51 3i3b s ILE 801 Ca 0.06 -3.41 -0.29 0.00 -1.10 0.00 0.00 60.65 55.92 3i3b s ILE 801 Cb -0.15 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.26 3i3b s ILE 801 CO 0.06 -1.07 1.71 -0.62 -0.10 0.00 0.00 174.94 174.92 3i3b s ASP 802 N 0.68 6.05 0.45 3.58 -1.08 -1.26 -4.86 116.67 120.23 3i3b s ASP 802 Ca 0.25 1.31 0.31 0.00 -0.52 0.00 0.00 52.55 53.89 3i3b s ASP 802 Cb -0.11 -2.53 1.38 0.00 -1.46 0.00 0.00 42.92 40.20 3i3b s ASP 802 CO -0.09 -1.58 1.92 -0.65 0.52 0.00 0.00 175.17 175.29 3i3b h PRO 803 N 12.13 0.00 -0.01 4.34 0.11 -1.96 -2.10 132.00 144.52 3i3b h PRO 803 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i3b h PRO 803 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i3b h PRO 803 CO 1.03 0.00 -0.30 -1.71 -0.21 0.00 0.00 178.00 176.81 3i3b n ASN 804 N -2.71 1.04 -4.77 -2.05 2.85 -1.26 -4.00 115.26 104.36 3i3b n ASN 804 Ca 0.00 -0.87 -0.38 0.00 -0.11 0.00 0.00 54.58 53.22 3i3b n ASN 804 Cb 0.22 0.17 -0.00 0.00 1.24 0.00 0.00 39.78 41.41 3i3b n ASN 804 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i3b s ALA 805 N -2.55 3.00 0.20 5.20 0.00 -0.79 -4.68 121.76 122.15 3i3b s ALA 805 Ca 0.23 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 3i3b s ALA 805 Cb 0.19 -3.43 0.24 0.00 0.00 0.00 0.00 23.12 20.12 3i3b s ALA 805 CO 0.54 -0.79 1.68 -1.49 0.00 0.00 0.00 175.76 175.70 3i3b h TRP 806 N 2.09 0.00 -0.99 0.00 4.06 -1.79 -1.81 115.95 117.52 3i3b h TRP 806 Ca -0.50 0.04 0.03 0.00 2.06 0.00 0.00 58.89 60.53 3i3b h TRP 806 Cb 1.26 0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 29.44 3i3b h TRP 806 CO 0.52 -0.12 0.65 -0.24 -3.56 0.00 0.00 178.44 175.69 3i3b h VAL 807 N 0.14 1.18 -0.11 1.49 3.04 -1.34 -0.89 116.25 119.77 3i3b h VAL 807 Ca 0.29 -0.43 -0.11 0.00 -1.01 0.00 0.00 66.70 65.43 3i3b h VAL 807 Cb 0.44 -0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 3i3b h VAL 807 CO -0.45 0.23 -0.44 -0.33 -1.01 0.00 0.00 177.57 175.57 3i3b h GLU 808 N 1.26 0.26 -0.10 4.17 4.39 -1.61 -0.89 114.58 122.05 3i3b h GLU 808 Ca 0.39 -0.13 -0.20 0.00 0.34 0.00 0.00 59.36 59.76 3i3b h GLU 808 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3i3b h GLU 808 CO -0.12 0.65 -0.76 0.00 -1.16 0.00 0.00 179.01 177.62 3i3b h ARG 809 N 0.21 0.55 -0.08 2.33 3.08 -0.69 -1.16 114.38 118.62 3i3b h ARG 809 Ca 0.02 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3i3b h ARG 809 Cb 0.87 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 3i3b h ARG 809 CO 0.07 1.08 -0.03 -1.49 -1.07 0.00 0.00 179.97 178.53 3i3b h TRP 810 N 0.37 0.19 -0.22 3.04 6.55 -1.03 -1.98 115.95 122.88 3i3b h TRP 810 Ca -0.04 -0.05 0.03 0.00 0.95 0.00 0.00 58.89 59.78 3i3b h TRP 810 Cb 1.36 -0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 29.59 3i3b h TRP 810 CO 0.06 0.52 0.04 0.87 -1.05 0.00 0.00 178.44 178.88 3i3b h LYS 811 N -0.18 0.12 0.00 0.49 1.57 -1.17 -1.72 116.57 115.68 3i3b h LYS 811 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3i3b h LYS 811 Cb 0.46 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i3b h LYS 811 CO 0.01 0.08 -0.12 0.00 -0.57 0.00 0.00 179.45 178.85 3i3b h ALA 812 N 1.16 1.25 0.00 3.86 0.00 -1.20 -1.64 119.26 122.69 3i3b h ALA 812 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3b h ALA 812 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i3b h ALA 812 CO -0.14 0.15 -0.55 0.00 0.00 0.00 0.00 179.25 178.71 3i3b n ALA 813 N -2.27 2.85 -0.42 0.00 0.00 -0.75 -4.96 120.51 114.97 3i3b n ALA 813 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3i3b n ALA 813 Cb 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3i3b n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3b n GLY 814 N 1.34 0.77 0.36 0.00 0.00 -0.62 -4.86 105.19 102.18 3i3b n GLY 814 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3i3b n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i3b h HIS 815 N 0.00 0.96 0.00 1.61 3.86 -1.60 0.33 115.15 120.31 3i3b h HIS 815 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3i3b h HIS 815 Cb 0.00 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.15 3i3b h HIS 815 CO 0.00 0.54 0.00 0.66 0.86 0.00 0.00 177.93 179.99 3i3b n TYR 816 N -4.46 0.86 0.19 2.45 4.01 -1.26 -3.77 117.16 115.17 3i3b n TYR 816 Ca 0.11 0.27 0.02 0.00 -0.16 0.00 0.00 57.90 58.14 3i3b n TYR 816 Cb 0.14 -0.94 -0.02 0.00 -0.31 0.00 0.00 39.34 38.21 3i3b n TYR 816 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3i3b n GLN 817 N -2.22 5.55 -1.58 -0.72 6.02 -0.62 -5.05 117.38 118.77 3i3b n GLN 817 Ca 0.05 -0.02 -0.51 0.00 -0.01 0.00 0.00 57.00 56.51 3i3b n GLN 817 Cb 0.37 -0.70 -0.05 0.00 1.02 0.00 0.00 30.24 30.88 3i3b n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i3b n ALA 818 N -1.07 -0.99 -2.80 -1.58 0.00 0.11 -4.96 120.51 109.21 3i3b n ALA 818 Ca 0.01 0.49 -0.34 0.00 0.00 0.00 0.00 53.44 53.60 3i3b n ALA 818 Cb 0.06 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 3i3b n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3b s GLU 819 N 0.00 3.39 -0.02 0.00 2.02 -1.12 -4.86 118.70 118.11 3i3b s GLU 819 Ca 0.79 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 3i3b s GLU 819 Cb -0.91 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3i3b s GLU 819 CO 0.50 0.45 1.31 0.00 0.02 0.00 0.00 175.26 177.54 3i3b s ALA 820 N -0.20 3.54 -0.20 5.21 0.00 -1.26 -2.76 121.76 126.09 3i3b s ALA 820 Ca 0.05 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 3i3b s ALA 820 Cb -0.13 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3i3b s ALA 820 CO 0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 175.76 174.94 3i3b s ALA 821 N 2.29 3.00 -0.14 0.00 0.00 0.74 -4.92 121.76 122.75 3i3b s ALA 821 Ca 0.60 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 3i3b s ALA 821 Cb -0.28 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 3i3b s ALA 821 CO 0.24 -0.14 1.31 -1.17 0.00 0.00 0.00 175.76 176.01 3i3b s LEU 822 N 0.98 4.21 -0.14 0.00 2.96 -1.26 -1.00 118.68 124.42 3i3b s LEU 822 Ca 0.01 1.78 0.19 0.00 -0.22 0.00 0.00 54.13 55.90 3i3b s LEU 822 Cb -0.14 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.73 3i3b s LEU 822 CO 0.02 -0.76 0.19 0.18 -1.32 0.00 0.00 176.35 174.65 3i3b n LEU 823 N 6.50 0.00 -3.56 -0.68 4.77 0.20 -4.97 117.00 119.25 3i3b n LEU 823 Ca 0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 3i3b n LEU 823 Cb 0.45 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.81 3i3b n LEU 823 CO 0.57 0.34 0.57 -1.58 -1.33 0.00 0.00 177.39 175.95 3i3b s GLN 824 N -2.79 0.85 -0.29 3.23 0.74 -1.05 -4.93 119.66 115.41 3i3b s GLN 824 Ca -0.09 0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.68 3i3b s GLN 824 Cb 0.08 0.40 0.20 0.00 1.10 0.00 0.00 33.01 34.79 3i3b s GLN 824 CO 0.84 -0.24 0.65 0.00 -0.55 0.00 0.00 175.29 175.99 3i3b s THR 826 N 2.85 1.72 0.01 0.00 -4.23 -0.21 -4.99 115.64 110.79 3i3b s THR 826 Ca 0.13 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3i3b s THR 826 Cb -0.10 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 3i3b s THR 826 CO -0.25 -0.28 -0.10 0.00 -0.54 0.00 0.00 174.62 173.45 3i3b s ALA 827 N -2.96 0.87 -0.01 3.99 0.00 -1.26 -1.63 121.76 120.76 3i3b s ALA 827 Ca 0.30 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3i3b s ALA 827 Cb 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3i3b s ALA 827 CO 0.13 0.18 0.02 -0.51 0.00 0.00 0.00 175.76 175.57 3i3b s ASP 828 N -0.55 0.03 -0.35 0.00 1.01 -0.24 -4.98 116.67 111.58 3i3b s ASP 828 Ca 0.02 0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.18 3i3b s ASP 828 Cb -0.05 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.84 3i3b s ASP 828 CO 0.00 -0.06 0.23 -0.89 0.21 0.00 0.00 175.17 174.66 3i3b s THR 829 N 0.50 5.10 0.61 -1.27 2.01 -1.26 0.65 115.64 121.98 3i3b s THR 829 Ca -0.04 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.61 3i3b s THR 829 Cb -0.06 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.86 3i3b s THR 829 CO -0.01 -0.05 0.84 -0.76 -0.69 0.00 0.00 174.62 173.94 3i3b s LEU 830 N 1.68 3.17 0.36 4.42 1.43 0.62 -4.97 118.68 125.39 3i3b s LEU 830 Ca 0.05 -0.27 0.12 0.00 -1.03 0.00 0.00 54.13 53.00 3i3b s LEU 830 Cb -0.18 -2.38 0.91 0.00 0.03 0.00 0.00 46.19 44.57 3i3b s LEU 830 CO 0.09 -1.41 1.80 0.00 0.23 0.00 0.00 176.35 177.07 3i3b h ALA 831 N -0.10 1.93 0.00 4.21 0.00 -2.02 -3.05 119.26 120.23 3i3b h ALA 831 Ca -0.38 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i3b h ALA 831 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i3b h ALA 831 CO 0.46 -0.28 -0.16 -0.40 0.00 0.00 0.00 179.25 178.86 3i3b n ASP 832 N -4.66 0.92 -3.38 0.00 5.75 -1.26 -4.97 116.55 108.95 3i3b n ASP 832 Ca 0.22 -2.00 -0.03 0.00 -0.01 0.00 0.00 54.79 52.97 3i3b n ASP 832 Cb 0.66 -0.17 0.02 0.00 -1.03 0.00 0.00 41.12 40.60 3i3b n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3b s ALA 833 N -0.87 -1.61 -0.09 2.12 0.00 -1.15 -2.09 121.76 118.06 3i3b s ALA 833 Ca 0.08 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3i3b s ALA 833 Cb 0.07 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 3i3b s ALA 833 CO 0.01 -1.07 -0.24 0.08 0.00 0.00 0.00 175.76 174.54 3i3b s VAL 834 N -2.19 2.05 -0.23 0.00 1.01 -0.63 0.23 120.40 120.64 3i3b s VAL 834 Ca 0.22 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3i3b s VAL 834 Cb -0.03 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3i3b s VAL 834 CO 0.05 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.47 3i3b s LEU 835 N 0.25 3.09 -0.22 3.92 2.96 0.21 -2.14 118.68 126.74 3i3b s LEU 835 Ca -0.16 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.22 3i3b s LEU 835 Cb -0.17 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3i3b s LEU 835 CO 0.08 -0.05 0.09 -0.63 -1.32 0.00 0.00 176.35 174.52 3i3b s ILE 836 N 1.48 4.70 -0.10 6.68 -1.09 -0.05 -1.08 121.20 131.73 3i3b s ILE 836 Ca 0.05 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3i3b s ILE 836 Cb -0.15 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 3i3b s ILE 836 CO -0.02 0.38 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.00 3i3b s THR 837 N 1.09 2.67 0.13 2.92 2.01 -0.64 0.54 115.64 124.35 3i3b s THR 837 Ca 0.05 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3i3b s THR 837 Cb -0.14 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3i3b s THR 837 CO 0.04 0.55 -0.03 0.42 -0.69 0.00 0.00 174.62 174.90 3i3b s THR 838 N 0.17 0.63 -0.16 -0.82 -4.23 -0.32 -1.04 115.64 109.86 3i3b s THR 838 Ca -0.10 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.36 3i3b s THR 838 Cb -0.16 -1.88 0.05 0.00 1.34 0.00 0.00 72.50 71.85 3i3b s THR 838 CO 0.06 -0.68 0.40 0.00 -0.54 0.00 0.00 174.62 173.86 3i3b s ALA 839 N -3.68 -1.02 0.10 3.99 0.00 -0.71 -1.23 121.76 119.21 3i3b s ALA 839 Ca 0.18 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.60 3i3b s ALA 839 Cb 0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3i3b s ALA 839 CO -0.01 -0.25 -0.11 -1.01 0.00 0.00 0.00 175.76 174.39 3i3b s HIS 840 N 1.13 1.11 -0.09 0.00 3.76 0.40 -0.63 115.29 120.98 3i3b s HIS 840 Ca -0.07 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3i3b s HIS 840 Cb -0.07 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 33.04 3i3b s HIS 840 CO -0.10 0.02 -0.05 0.00 -0.85 0.00 0.00 174.74 173.77 3i3b s ALA 841 N -2.35 1.06 -0.26 -1.40 0.00 -0.17 -1.30 121.76 117.34 3i3b s ALA 841 Ca 0.06 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 3i3b s ALA 841 Cb -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3i3b s ALA 841 CO 0.01 -0.35 0.44 -1.58 0.00 0.00 0.00 175.76 174.27 3i3b s TRP 842 N 1.64 3.27 0.17 0.00 0.51 0.11 -0.18 118.94 124.46 3i3b s TRP 842 Ca 0.02 0.54 0.07 0.00 -2.12 0.00 0.00 56.10 54.61 3i3b s TRP 842 Cb -0.13 -2.63 -0.04 0.00 -0.81 0.00 0.00 33.47 29.86 3i3b s TRP 842 CO -0.06 -0.22 -0.14 -0.65 -0.51 0.00 0.00 176.95 175.37 3i3b s GLN 843 N 2.07 1.21 -0.17 4.98 -0.21 -1.11 0.05 119.66 126.48 3i3b s GLN 843 Ca 0.18 -1.48 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 3i3b s GLN 843 Cb -0.16 -0.99 0.08 0.00 1.00 0.00 0.00 33.01 32.94 3i3b s GLN 843 CO 0.09 0.17 0.22 -1.58 -2.12 0.00 0.00 175.29 172.07 3i3b s HIS 844 N -2.84 -0.31 -1.31 0.91 2.46 0.54 -2.78 115.29 111.97 3i3b s HIS 844 Ca 0.18 0.48 -0.09 0.00 0.47 0.00 0.00 55.06 56.10 3i3b s HIS 844 Cb -0.01 -0.26 -0.00 0.00 -0.13 0.00 0.00 32.58 32.18 3i3b s HIS 844 CO 0.05 -0.49 0.55 1.04 -2.47 0.00 0.00 174.74 173.42 3i3b n GLN 845 N 5.33 -2.46 -0.43 2.88 6.02 -1.26 -1.32 117.38 126.14 3i3b n GLN 845 Ca -0.05 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 3i3b n GLN 845 Cb 0.50 -4.28 0.00 0.00 1.02 0.00 0.00 30.24 27.48 3i3b n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3b n GLY 846 N -1.89 1.79 3.57 1.08 0.00 -1.26 -5.02 105.19 103.45 3i3b n GLY 846 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3i3b n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3b s LYS 847 N -0.13 3.88 -0.41 1.61 2.47 -0.43 -5.06 119.74 121.67 3i3b s LYS 847 Ca 0.00 -0.38 -0.24 0.00 -1.56 0.00 0.00 55.97 53.80 3i3b s LYS 847 Cb 0.00 -3.37 0.02 0.00 -1.46 0.00 0.00 37.83 33.02 3i3b s LYS 847 CO 0.00 0.02 0.83 0.99 0.16 0.00 0.00 175.35 177.35 3i3b s THR 848 N 1.10 4.63 -0.18 3.43 2.01 -1.26 -0.34 115.64 125.03 3i3b s THR 848 Ca 0.05 0.75 -0.23 0.00 0.31 0.00 0.00 61.69 62.57 3i3b s THR 848 Cb -0.14 -4.31 -0.21 0.00 0.01 0.00 0.00 72.50 67.85 3i3b s THR 848 CO 0.04 -0.62 0.38 -0.07 -0.69 0.00 0.00 174.62 173.66 3i3b h LEU 849 N 10.08 0.03 -8.35 4.42 3.38 -0.75 -3.42 115.31 120.69 3i3b h LEU 849 Ca -0.24 -0.66 -0.26 0.00 0.09 0.00 0.00 57.88 56.81 3i3b h LEU 849 Cb 1.09 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.65 3i3b h LEU 849 CO 0.96 1.37 -0.72 -0.36 0.09 0.00 0.00 178.44 179.79 3i3b s PHE 850 N -2.33 0.85 -0.06 1.13 0.08 -1.16 -1.39 117.98 115.09 3i3b s PHE 850 Ca -0.26 -0.72 -0.00 0.00 0.12 0.00 0.00 56.93 56.07 3i3b s PHE 850 Cb 0.03 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 42.02 3i3b s PHE 850 CO 0.63 -0.10 -0.02 0.42 -0.10 0.00 0.00 175.22 176.05 3i3b s ILE 851 N -2.61 0.46 -0.15 0.64 1.01 -0.34 -0.71 121.20 119.50 3i3b s ILE 851 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 3i3b s ILE 851 Cb -0.02 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 3i3b s ILE 851 CO -0.02 0.24 -0.13 -0.55 0.00 0.00 0.00 174.94 174.48 3i3b s SER 852 N 1.44 3.87 -0.13 3.58 0.15 -0.42 -0.47 113.70 121.72 3i3b s SER 852 Ca -0.03 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3i3b s SER 852 Cb -0.13 -1.60 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 3i3b s SER 852 CO -0.03 0.11 -0.22 -0.13 1.20 0.00 0.00 173.24 174.18 3i3b s ARG 853 N 0.67 2.92 0.26 5.44 0.52 -0.05 -0.45 118.95 128.27 3i3b s ARG 853 Ca -0.07 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3i3b s ARG 853 Cb -0.15 -2.34 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 3i3b s ARG 853 CO 0.02 0.02 0.10 0.15 0.02 0.00 0.00 175.30 175.61 3i3b s LYS 854 N 0.74 1.43 -0.15 3.54 1.02 -0.37 -1.09 119.74 124.86 3i3b s LYS 854 Ca -0.09 -1.77 -0.10 0.00 0.02 0.00 0.00 55.97 54.02 3i3b s LYS 854 Cb -0.16 -0.27 0.05 0.00 -0.52 0.00 0.00 37.83 36.93 3i3b s LYS 854 CO 0.00 -0.30 0.37 0.95 -0.92 0.00 0.00 175.35 175.46 3i3b s THR 855 N -3.74 -0.02 -0.23 2.17 -4.23 -1.02 -1.17 115.64 107.40 3i3b s THR 855 Ca 0.38 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3i3b s THR 855 Cb 0.08 -0.55 0.02 0.00 1.34 0.00 0.00 72.50 73.39 3i3b s THR 855 CO 0.14 0.03 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.86 3i3b s TYR 856 N 0.97 3.00 -0.36 3.99 1.51 0.19 -1.73 117.35 124.91 3i3b s TYR 856 Ca -0.06 -1.45 -0.05 0.00 -1.01 0.00 0.00 57.07 54.50 3i3b s TYR 856 Cb -0.07 -2.04 0.07 0.00 -0.11 0.00 0.00 41.96 39.80 3i3b s TYR 856 CO -0.08 -0.71 0.13 0.50 -1.11 0.00 0.00 175.55 174.29 3i3b s ARG 857 N 1.35 2.42 -0.36 -0.62 3.52 -0.05 -0.87 118.95 124.34 3i3b s ARG 857 Ca 0.02 -1.40 -0.12 0.00 -0.13 0.00 0.00 55.73 54.09 3i3b s ARG 857 Cb -0.16 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 3i3b s ARG 857 CO -0.06 -0.80 0.23 0.42 -0.81 0.00 0.00 175.30 174.28 3i3b s ILE 858 N 1.31 5.02 0.36 4.11 1.01 -0.91 -1.47 121.20 130.62 3i3b s ILE 858 Ca 0.01 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3i3b s ILE 858 Cb -0.21 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.65 3i3b s ILE 858 CO 0.00 -0.10 0.39 -0.90 0.00 0.00 0.00 174.94 174.33 3i3b n ASP 859 N 5.07 1.67 0.26 3.58 5.68 -1.12 -1.60 116.55 130.11 3i3b n ASP 859 Ca -0.12 -2.07 0.17 0.00 -0.50 0.00 0.00 54.79 52.27 3i3b n ASP 859 Cb 0.48 -0.16 0.91 0.00 -1.14 0.00 0.00 41.12 41.22 3i3b n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3i3b h GLY 860 N 0.22 0.00 2.00 6.12 0.00 -1.55 -1.25 103.07 108.61 3i3b h GLY 860 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3i3b h GLY 860 CO 0.29 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.31 3i3b h SER 861 N 0.00 0.00 0.00 0.19 4.64 -1.89 -3.43 113.55 113.06 3i3b h SER 861 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i3b h SER 861 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3i3b h SER 861 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3i3b n GLY 862 N 0.78 0.83 3.86 -0.77 0.00 -0.47 -5.04 105.19 104.39 3i3b n GLY 862 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3i3b n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3b s GLN 863 N -0.85 3.76 -0.29 1.61 -0.21 -1.26 -4.65 119.66 117.77 3i3b s GLN 863 Ca 0.00 0.18 -0.03 0.00 0.02 0.00 0.00 55.36 55.52 3i3b s GLN 863 Cb 0.00 -3.05 0.03 0.00 1.00 0.00 0.00 33.01 30.99 3i3b s GLN 863 CO 0.00 0.60 0.01 1.41 -2.12 0.00 0.00 175.29 175.19 3i3b s MET 864 N -1.72 2.70 -0.26 2.91 -2.45 0.50 -2.77 119.30 118.21 3i3b s MET 864 Ca 0.30 -1.09 -0.16 0.00 -1.25 0.00 0.00 55.69 53.50 3i3b s MET 864 Cb -0.14 -3.20 -0.04 0.00 1.25 0.00 0.00 34.83 32.70 3i3b s MET 864 CO 0.17 -0.53 0.40 0.00 1.05 0.00 0.00 175.02 176.11 3i3b s ALA 865 N 1.34 3.57 -0.24 4.11 0.00 -0.54 0.17 121.76 130.17 3i3b s ALA 865 Ca -0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 3i3b s ALA 865 Cb -0.18 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3i3b s ALA 865 CO -0.01 -0.65 0.04 0.42 0.00 0.00 0.00 175.76 175.56 3i3b s ILE 866 N 2.07 4.03 -0.22 0.00 1.01 0.11 -0.87 121.20 127.33 3i3b s ILE 866 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 3i3b s ILE 866 Cb -0.16 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 3i3b s ILE 866 CO 0.10 0.36 0.01 -0.89 0.00 0.00 0.00 174.94 174.51 3i3b s THR 867 N 1.57 3.88 -0.10 2.92 2.01 -0.71 -1.26 115.64 123.95 3i3b s THR 867 Ca 0.06 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3i3b s THR 867 Cb -0.15 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3i3b s THR 867 CO 0.02 0.40 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.44 3i3b s VAL 868 N 1.30 1.89 -0.14 3.82 1.01 -0.39 -2.42 120.40 125.46 3i3b s VAL 868 Ca 0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 3i3b s VAL 868 Cb -0.15 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.62 3i3b s VAL 868 CO 0.01 0.52 -0.08 -1.81 0.00 0.00 0.00 175.10 173.74 3i3b s ASP 869 N 0.45 2.59 0.01 3.32 1.01 -0.25 -1.76 116.67 122.04 3i3b s ASP 869 Ca -0.17 -0.51 0.06 0.00 0.71 0.00 0.00 52.55 52.64 3i3b s ASP 869 Cb -0.17 -0.94 -0.03 0.00 1.01 0.00 0.00 42.92 42.79 3i3b s ASP 869 CO 0.07 -0.14 -0.16 -0.69 0.21 0.00 0.00 175.17 174.46 3i3b s VAL 870 N 1.63 2.90 -0.07 -1.27 1.01 0.80 -0.87 120.40 124.53 3i3b s VAL 870 Ca 0.03 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3i3b s VAL 870 Cb -0.14 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3i3b s VAL 870 CO -0.08 0.41 -0.16 -1.61 0.00 0.00 0.00 175.10 173.66 3i3b s GLU 871 N -1.24 2.75 -0.13 2.72 2.02 0.38 -0.26 118.70 124.94 3i3b s GLU 871 Ca 0.14 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.42 3i3b s GLU 871 Cb -0.11 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.73 3i3b s GLU 871 CO 0.04 0.47 -0.17 0.08 0.02 0.00 0.00 175.26 175.71 3i3b s VAL 872 N -0.34 1.66 0.10 2.63 1.01 0.92 -1.20 120.40 125.18 3i3b s VAL 872 Ca 0.03 -0.72 -0.35 0.00 0.00 0.00 0.00 61.98 60.94 3i3b s VAL 872 Cb -0.13 -1.51 -0.15 0.00 0.00 0.00 0.00 36.38 34.60 3i3b s VAL 872 CO 0.02 0.47 1.54 0.00 0.00 0.00 0.00 175.10 177.14 3i3b n ALA 873 N 4.35 0.59 0.29 5.51 0.00 -0.49 -4.63 120.51 126.12 3i3b n ALA 873 Ca -0.19 0.45 0.16 0.00 0.00 0.00 0.00 53.44 53.86 3i3b n ALA 873 Cb 0.51 -2.28 0.87 0.00 0.00 0.00 0.00 19.45 18.55 3i3b n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i3b h SER 874 N 5.85 0.00 -0.24 0.00 4.64 -1.93 -2.71 113.55 119.17 3i3b h SER 874 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3i3b h SER 874 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3i3b h SER 874 CO 0.86 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.98 3i3b n ASP 875 N -3.56 2.51 -4.90 4.97 5.75 -1.26 -4.89 116.55 115.18 3i3b n ASP 875 Ca -0.02 -1.84 -0.32 0.00 -0.01 0.00 0.00 54.79 52.60 3i3b n ASP 875 Cb 0.17 -0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 3i3b n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3i3b s THR 876 N -1.70 5.19 0.35 2.12 -1.32 -1.02 -5.03 115.64 114.22 3i3b s THR 876 Ca 0.35 0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 60.58 3i3b s THR 876 Cb 0.20 -3.62 -0.12 0.00 -1.51 0.00 0.00 72.50 67.45 3i3b s THR 876 CO 0.29 0.08 1.46 -0.81 -2.21 0.00 0.00 174.62 173.44 3i3b n PRO 877 N 0.22 2.55 -1.64 7.08 -0.04 -1.26 -4.84 135.00 137.06 3i3b n PRO 877 Ca -0.04 0.90 -0.48 0.00 -0.04 0.00 0.00 63.50 63.84 3i3b n PRO 877 Cb 0.52 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 3i3b n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i3b n HIS 878 N 0.77 1.99 -2.17 0.54 8.25 -1.26 -4.92 115.22 118.41 3i3b n HIS 878 Ca 0.04 0.42 -0.37 0.00 -0.26 0.00 0.00 57.72 57.55 3i3b n HIS 878 Cb 0.38 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.03 3i3b n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3i3b s PRO 879 N 0.50 3.62 0.47 -0.41 0.04 -1.26 -4.90 135.00 133.06 3i3b s PRO 879 Ca 0.78 1.85 0.14 0.00 0.04 0.00 0.00 61.00 63.81 3i3b s PRO 879 Cb -0.76 -2.35 1.08 0.00 0.04 0.00 0.00 34.50 32.51 3i3b s PRO 879 CO 0.43 -0.69 2.06 0.00 0.04 0.00 0.00 177.00 178.84 3i3b h ALA 880 N 1.89 1.81 -2.85 8.56 0.00 -1.89 -3.42 119.26 123.36 3i3b h ALA 880 Ca -0.50 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.40 3i3b h ALA 880 Cb 1.26 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3i3b h ALA 880 CO 0.59 0.14 0.28 -0.98 0.00 0.00 0.00 179.25 179.29 3i3b s ARG 881 N -4.91 1.52 -0.29 0.00 1.70 -1.22 -1.07 118.95 114.67 3i3b s ARG 881 Ca -0.05 -0.77 -0.03 0.00 -0.47 0.00 0.00 55.73 54.40 3i3b s ARG 881 Cb 0.16 0.56 0.11 0.00 -0.57 0.00 0.00 34.95 35.21 3i3b s ARG 881 CO 0.69 -0.69 0.16 0.42 -1.08 0.00 0.00 175.30 174.80 3i3b s ILE 882 N -3.73 -0.13 0.00 4.99 1.01 -0.62 -4.11 121.20 118.62 3i3b s ILE 882 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3i3b s ILE 882 Cb -0.04 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.45 3i3b s ILE 882 CO 0.01 -0.68 0.00 0.61 0.00 0.00 0.00 174.94 174.87 3i3b n GLY 883 N 5.26 2.60 3.33 6.18 0.00 -0.86 -1.31 105.19 120.39 3i3b n GLY 883 Ca -0.05 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 3i3b n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 884 N 0.00 2.39 0.15 0.99 1.43 0.35 -0.32 118.68 123.68 3i3b s LEU 884 Ca 0.00 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.77 3i3b s LEU 884 Cb 0.00 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.85 3i3b s LEU 884 CO 0.00 -0.38 0.53 0.54 0.23 0.00 0.00 176.35 177.27 3i3b s ASN 885 N -3.30 -0.43 0.05 2.29 4.22 -0.16 -0.91 114.94 116.70 3i3b s ASN 885 Ca 0.25 -0.15 -0.28 0.00 -2.14 0.00 0.00 52.86 50.54 3i3b s ASN 885 Cb 0.03 0.56 0.09 0.00 1.28 0.00 0.00 41.25 43.21 3i3b s ASN 885 CO 0.07 -0.94 0.99 0.00 -2.04 0.00 0.00 177.10 175.17 3i3b s GLN 887 N -3.06 2.38 0.40 0.00 0.74 -1.23 -1.34 119.66 117.54 3i3b s GLN 887 Ca 0.10 -1.59 -0.26 0.00 0.05 0.00 0.00 55.36 53.65 3i3b s GLN 887 Cb -0.00 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.35 3i3b s GLN 887 CO -0.03 -0.99 1.26 -0.51 -0.55 0.00 0.00 175.29 174.47 3i3b s LEU 888 N 1.31 4.23 0.29 3.68 1.43 0.61 0.11 118.68 130.34 3i3b s LEU 888 Ca 0.04 2.57 0.13 0.00 -1.03 0.00 0.00 54.13 55.84 3i3b s LEU 888 Cb -0.23 -3.91 0.38 0.00 0.03 0.00 0.00 46.19 42.46 3i3b s LEU 888 CO -0.01 -0.77 1.60 0.00 0.23 0.00 0.00 176.35 177.41 3i3b h ALA 889 N 2.74 0.89 -2.30 4.21 0.00 -1.44 0.15 119.26 123.51 3i3b h ALA 889 Ca -0.49 -0.52 -0.49 0.00 0.00 0.00 0.00 54.91 53.40 3i3b h ALA 889 Cb 1.24 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.97 3i3b h ALA 889 CO 0.63 0.72 0.11 -1.14 0.00 0.00 0.00 179.25 179.56 3i3b s GLN 890 N -3.47 3.56 -0.28 0.00 0.74 -1.26 -4.21 119.66 114.73 3i3b s GLN 890 Ca -0.00 0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.60 3i3b s GLN 890 Cb 0.11 -2.38 0.09 0.00 1.10 0.00 0.00 33.01 31.94 3i3b s GLN 890 CO 0.74 -0.19 0.10 0.08 -0.55 0.00 0.00 175.29 175.47 3i3b s VAL 891 N -2.71 0.40 0.59 1.34 1.01 -1.26 -3.33 120.40 116.44 3i3b s VAL 891 Ca 0.48 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3i3b s VAL 891 Cb -0.10 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.06 3i3b s VAL 891 CO 0.44 -0.63 0.83 0.00 0.00 0.00 0.00 175.10 175.74 3i3b s ALA 892 N 1.87 3.81 -0.04 5.51 0.00 -1.26 -5.04 121.76 126.61 3i3b s ALA 892 Ca 0.08 -1.36 0.10 0.00 0.00 0.00 0.00 51.96 50.78 3i3b s ALA 892 Cb -0.17 -2.11 -0.23 0.00 0.00 0.00 0.00 23.12 20.61 3i3b s ALA 892 CO -0.28 -0.90 0.68 0.93 0.00 0.00 0.00 175.76 176.19 3i3b h GLU 893 N -0.08 0.04 -6.16 0.00 5.08 -2.00 -3.43 114.58 108.03 3i3b h GLU 893 Ca -0.41 -0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.31 3i3b h GLU 893 Cb 1.29 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.40 3i3b h GLU 893 CO 0.51 0.62 -0.78 1.03 -1.00 0.00 0.00 179.01 179.39 3i3b s ARG 894 N -2.60 1.45 -0.14 2.33 1.81 -1.26 -0.84 118.95 119.69 3i3b s ARG 894 Ca -0.06 -1.55 -0.00 0.00 -1.72 0.00 0.00 55.73 52.39 3i3b s ARG 894 Cb 0.08 -1.56 0.03 0.00 -0.45 0.00 0.00 34.95 33.05 3i3b s ARG 894 CO 0.82 0.31 -0.08 0.08 -0.68 0.00 0.00 175.30 175.76 3i3b s VAL 895 N -2.16 1.17 -0.14 3.52 1.01 0.13 -4.54 120.40 119.40 3i3b s VAL 895 Ca 0.21 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3i3b s VAL 895 Cb -0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3i3b s VAL 895 CO 0.10 0.27 -0.13 0.21 0.00 0.00 0.00 175.10 175.55 3i3b s ASN 896 N 1.63 4.02 0.03 3.32 3.84 -0.63 -2.03 114.94 125.11 3i3b s ASN 896 Ca 0.03 -0.34 -0.10 0.00 0.21 0.00 0.00 52.86 52.66 3i3b s ASN 896 Cb -0.14 -1.62 0.01 0.00 -0.55 0.00 0.00 41.25 38.95 3i3b s ASN 896 CO -0.08 0.15 0.22 -1.66 -2.79 0.00 0.00 177.10 172.93 3i3b s TRP 897 N 0.43 0.00 -0.40 0.43 -2.14 0.06 0.51 118.94 117.83 3i3b s TRP 897 Ca -0.10 -0.15 -0.08 0.00 2.66 0.00 0.00 56.10 58.43 3i3b s TRP 897 Cb -0.16 -0.00 0.08 0.00 -3.10 0.00 0.00 33.47 30.29 3i3b s TRP 897 CO 0.05 -0.41 0.22 -1.17 -2.66 0.00 0.00 176.95 172.98 3i3b s LEU 898 N -1.89 5.03 0.00 -4.66 2.96 0.96 -0.11 118.68 120.98 3i3b s LEU 898 Ca -0.08 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.29 3i3b s LEU 898 Cb -0.02 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.73 3i3b s LEU 898 CO -0.02 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 3i3b n GLY 899 N 4.84 -0.58 3.71 7.98 0.00 -0.53 -0.44 105.19 120.17 3i3b n GLY 899 Ca -0.09 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3i3b n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 900 N 0.00 4.37 0.00 0.99 1.43 -0.70 -1.73 118.68 123.03 3i3b s LEU 900 Ca 0.00 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 3i3b s LEU 900 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3i3b s LEU 900 CO 0.00 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.57 3i3b n GLY 901 N 3.45 1.06 0.22 -3.19 0.00 -0.45 -4.41 105.19 101.88 3i3b n GLY 901 Ca 0.11 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3i3b n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3b h PRO 902 N 0.00 0.00 -7.19 1.61 0.13 -1.92 -0.64 132.00 123.99 3i3b h PRO 902 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3i3b h PRO 902 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 3i3b h PRO 902 CO 0.00 0.03 0.27 -0.65 -0.23 0.00 0.00 178.00 177.43 3i3b s GLN 903 N -3.26 3.36 0.11 0.86 -0.21 -1.26 -5.00 119.66 114.26 3i3b s GLN 903 Ca 0.06 0.40 -0.36 0.00 0.02 0.00 0.00 55.36 55.48 3i3b s GLN 903 Cb 0.06 -2.20 -0.16 0.00 1.00 0.00 0.00 33.01 31.70 3i3b s GLN 903 CO 0.66 -0.53 1.33 -1.91 -2.12 0.00 0.00 175.29 172.71 3i3b n GLU 904 N -2.59 1.26 -3.79 2.91 2.13 -1.26 -4.88 120.64 114.43 3i3b n GLU 904 Ca 0.04 0.45 -0.13 0.00 0.66 0.00 0.00 57.16 58.19 3i3b n GLU 904 Cb 0.55 -2.08 -0.10 0.00 0.27 0.00 0.00 31.44 30.08 3i3b n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i3b s ASN 905 N 0.42 -0.23 0.31 4.31 2.20 0.15 -4.91 114.94 117.19 3i3b s ASN 905 Ca 0.81 0.35 0.07 0.00 -0.94 0.00 0.00 52.86 53.16 3i3b s ASN 905 Cb -0.90 0.46 -0.06 0.00 -2.00 0.00 0.00 41.25 38.75 3i3b s ASN 905 CO 0.47 -0.21 -0.06 -0.31 -2.94 0.00 0.00 177.10 174.05 3i3b s TYR 906 N -0.40 2.12 0.27 1.54 1.51 -0.76 -3.64 117.35 117.99 3i3b s TYR 906 Ca -0.05 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.33 3i3b s TYR 906 Cb -0.03 -1.24 0.57 0.00 -0.11 0.00 0.00 41.96 41.15 3i3b s TYR 906 CO 0.01 0.37 1.63 -1.35 -1.11 0.00 0.00 175.55 175.11 3i3b h PRO 907 N 2.17 0.14 -0.62 -1.71 0.11 -1.86 0.17 132.00 130.40 3i3b h PRO 907 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3i3b h PRO 907 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i3b h PRO 907 CO 0.69 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 3i3b n ASP 908 N -5.31 3.66 -2.88 -2.05 5.75 -1.26 -4.38 116.55 110.08 3i3b n ASP 908 Ca 0.18 -2.34 -0.13 0.00 -0.01 0.00 0.00 54.79 52.49 3i3b n ASP 908 Cb 0.58 -0.50 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 3i3b n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i3b n ARG 909 N 0.76 0.79 0.00 0.11 0.63 0.58 0.23 116.66 119.75 3i3b n ARG 909 Ca 0.19 -2.20 0.00 0.00 -0.92 0.00 0.00 57.85 54.92 3i3b n ARG 909 Cb 0.70 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.23 3i3b n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3i3b n LEU 910 N 1.44 0.00 -0.04 6.15 -0.00 -1.02 -1.83 117.00 121.70 3i3b n LEU 910 Ca 0.13 -0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.16 3i3b n LEU 910 Cb 0.61 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 44.40 3i3b n LEU 910 CO 0.08 0.00 1.14 0.71 -0.00 0.00 0.00 177.39 179.32 3i3b h THR 911 N 2.10 1.14 -0.12 1.47 1.35 -1.91 -2.40 112.91 114.53 3i3b h THR 911 Ca 0.00 -0.33 -0.13 0.00 -0.55 0.00 0.00 66.41 65.41 3i3b h THR 911 Cb 0.78 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3i3b h THR 911 CO 0.00 0.15 -0.48 0.00 -0.25 0.00 0.00 175.52 174.94 3i3b h ALA 912 N 1.66 0.97 -2.62 6.62 0.00 -1.88 -3.45 119.26 120.56 3i3b h ALA 912 Ca 0.17 -0.46 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 3i3b h ALA 912 Cb -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 17.79 17.80 3i3b h ALA 912 CO -0.03 0.65 0.41 0.00 0.00 0.00 0.00 179.25 180.28 3i3b s ALA 913 N -4.03 2.48 0.03 0.00 0.00 -0.91 -5.01 121.76 114.32 3i3b s ALA 913 Ca -0.05 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3i3b s ALA 913 Cb 0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3i3b s ALA 913 CO 0.79 -1.23 -0.23 0.00 0.00 0.00 0.00 175.76 175.09 3i3b s PHE 915 N -0.73 3.24 0.02 0.00 5.36 -1.26 -1.35 117.98 123.27 3i3b s PHE 915 Ca 0.09 1.32 -0.09 0.00 -0.96 0.00 0.00 56.93 57.30 3i3b s PHE 915 Cb -0.09 -3.35 0.03 0.00 -0.34 0.00 0.00 43.02 39.27 3i3b s PHE 915 CO 0.01 -0.95 0.42 -3.47 -1.46 0.00 0.00 175.22 169.77 3i3b n ASP 916 N 5.55 -0.50 -4.50 6.13 -0.08 -0.70 -4.93 116.55 117.52 3i3b n ASP 916 Ca 0.11 -1.18 -0.43 0.00 -1.51 0.00 0.00 54.79 51.78 3i3b n ASP 916 Cb 0.47 0.79 -0.07 0.00 2.34 0.00 0.00 41.12 44.65 3i3b n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3i3b s ARG 917 N -2.01 3.21 0.06 -0.67 6.06 -1.26 -1.46 118.95 122.88 3i3b s ARG 917 Ca 0.10 -0.53 0.03 0.00 -2.50 0.00 0.00 55.73 52.83 3i3b s ARG 917 Cb -0.01 -3.97 -0.04 0.00 0.06 0.00 0.00 34.95 30.99 3i3b s ARG 917 CO 0.01 -1.00 0.01 -1.58 -2.50 0.00 0.00 175.30 170.24 3i3b s TRP 918 N 2.63 3.05 -0.19 5.12 0.52 0.85 -4.97 118.94 125.96 3i3b s TRP 918 Ca 0.19 0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.30 3i3b s TRP 918 Cb -0.15 -1.60 0.09 0.00 -1.15 0.00 0.00 33.47 30.66 3i3b s TRP 918 CO 0.17 0.48 0.22 0.34 0.02 0.00 0.00 176.95 178.18 3i3b s ASP 919 N -2.07 1.25 0.18 2.95 -1.08 -1.26 -0.76 116.67 115.87 3i3b s ASP 919 Ca 0.24 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 52.17 3i3b s ASP 919 Cb -0.12 0.40 -0.05 0.00 -1.46 0.00 0.00 42.92 41.70 3i3b s ASP 919 CO 0.16 -0.31 -0.00 -0.76 0.52 0.00 0.00 175.17 174.77 3i3b s LEU 920 N 2.33 2.15 0.57 -1.34 1.43 -0.86 -4.97 118.68 117.99 3i3b s LEU 920 Ca 0.06 -1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 51.83 3i3b s LEU 920 Cb -0.15 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 3i3b s LEU 920 CO -0.11 -0.55 1.06 -2.16 0.23 0.00 0.00 176.35 174.82 3i3b s PRO 921 N -3.90 3.39 0.26 1.29 0.04 -1.26 -0.69 135.00 134.13 3i3b s PRO 921 Ca 0.24 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 3i3b s PRO 921 Cb 0.06 -2.04 0.57 0.00 0.04 0.00 0.00 34.50 33.13 3i3b s PRO 921 CO 0.04 -0.76 1.70 1.25 0.04 0.00 0.00 177.00 179.27 3i3b h LEU 922 N 0.70 0.22 -1.00 -3.56 5.85 -1.27 -2.04 115.31 114.21 3i3b h LEU 922 Ca -0.48 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.57 3i3b h LEU 922 Cb 1.22 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.29 3i3b h LEU 922 CO 0.57 0.02 0.61 0.77 -0.34 0.00 0.00 178.44 180.07 3i3b h SER 923 N 0.38 0.79 0.40 1.25 4.64 -1.91 -0.59 113.55 118.50 3i3b h SER 923 Ca 0.48 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3i3b h SER 923 Cb 0.83 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3i3b h SER 923 CO -0.49 0.29 0.00 0.47 -0.87 0.00 0.00 176.83 176.23 3i3b n ASP 924 N -4.76 0.00 -0.50 4.97 8.00 -0.76 -2.01 116.55 121.49 3i3b n ASP 924 Ca 0.23 0.48 0.09 0.00 0.71 0.00 0.00 54.79 56.30 3i3b n ASP 924 Cb 0.55 -0.49 0.33 0.00 -0.02 0.00 0.00 41.12 41.49 3i3b n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i3b n MET 925 N -1.49 1.65 -4.61 -1.24 2.81 -0.23 -4.72 117.12 109.29 3i3b n MET 925 Ca 0.03 -0.99 -0.31 0.00 -1.81 0.00 0.00 57.70 54.63 3i3b n MET 925 Cb 0.14 -1.34 -0.17 0.00 -0.71 0.00 0.00 33.22 31.14 3i3b n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3i3b s TYR 926 N -1.76 2.34 -0.39 2.03 5.04 -0.85 -4.36 117.35 119.40 3i3b s TYR 926 Ca 0.29 -1.13 -0.15 0.00 -2.44 0.00 0.00 57.07 53.64 3i3b s TYR 926 Cb 0.15 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.85 3i3b s TYR 926 CO 0.23 -0.54 0.30 0.99 -1.34 0.00 0.00 175.55 175.19 3i3b s THR 927 N 0.86 5.25 -0.55 4.34 2.01 -1.26 -4.96 115.64 121.33 3i3b s THR 927 Ca -0.08 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 3i3b s THR 927 Cb -0.15 -3.88 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 3i3b s THR 927 CO -0.01 -0.24 1.70 -0.81 -0.69 0.00 0.00 174.62 174.57 3i3b n PRO 928 N 5.18 1.22 -2.07 4.92 -0.04 -1.26 -4.86 135.00 138.08 3i3b n PRO 928 Ca -0.11 -1.17 -0.42 0.00 -0.04 0.00 0.00 63.50 61.76 3i3b n PRO 928 Cb 0.48 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3i3b n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i3b s TYR 929 N 4.33 3.08 0.28 0.54 2.02 -1.26 -4.88 117.35 121.46 3i3b s TYR 929 Ca 0.31 0.78 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 3i3b s TYR 929 Cb 0.08 -3.79 0.69 0.00 -0.40 0.00 0.00 41.96 38.54 3i3b s TYR 929 CO 0.02 -2.87 1.66 0.28 -1.57 0.00 0.00 175.55 173.07 3i3b h VAL 930 N 4.28 0.36 -3.69 0.71 2.07 -1.97 -3.23 116.25 114.78 3i3b h VAL 930 Ca -0.42 -0.08 -0.66 0.00 0.82 0.00 0.00 66.70 66.36 3i3b h VAL 930 Cb 1.20 0.09 -0.17 0.00 -1.52 0.00 0.00 31.29 30.90 3i3b h VAL 930 CO 0.89 0.04 -0.32 0.12 0.02 0.00 0.00 177.57 178.33 3i3b s PHE 931 N -5.94 3.22 0.42 1.57 5.36 -1.26 -0.66 117.98 120.69 3i3b s PHE 931 Ca -0.12 0.02 -0.26 0.00 -0.96 0.00 0.00 56.93 55.61 3i3b s PHE 931 Cb 0.25 -2.62 -0.09 0.00 -0.34 0.00 0.00 43.02 40.23 3i3b s PHE 931 CO 0.77 -0.38 1.36 -2.14 -1.46 0.00 0.00 175.22 173.37 3i3b s PRO 932 N 1.98 3.85 0.26 10.12 0.02 -1.22 -4.95 135.00 145.06 3i3b s PRO 932 Ca 0.11 2.27 -0.19 0.00 0.02 0.00 0.00 61.00 63.21 3i3b s PRO 932 Cb -0.16 -2.71 0.07 0.00 0.02 0.00 0.00 34.50 31.71 3i3b s PRO 932 CO 0.11 -0.64 0.96 -1.13 -0.33 0.00 0.00 177.00 175.98 3i3b n SER 933 N -0.01 -1.96 -4.66 2.53 3.41 -1.26 -4.77 113.62 106.90 3i3b n SER 933 Ca 0.04 -2.16 -0.45 0.00 -0.26 0.00 0.00 58.87 56.05 3i3b n SER 933 Cb 0.43 3.21 -0.02 0.00 -0.26 0.00 0.00 64.21 67.57 3i3b n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i3b n GLU 934 N -0.67 1.95 -3.83 4.33 4.07 -0.48 -4.93 120.64 121.09 3i3b n GLU 934 Ca -0.05 0.69 -0.08 0.00 -0.06 0.00 0.00 57.16 57.67 3i3b n GLU 934 Cb 0.59 -2.31 -0.02 0.00 -0.06 0.00 0.00 31.44 29.64 3i3b n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i3b s ASN 935 N 0.12 -0.28 0.00 4.31 2.20 -1.26 -4.91 114.94 115.12 3i3b s ASN 935 Ca 0.66 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 52.01 3i3b s ASN 935 Cb -0.65 0.71 0.00 0.00 -2.00 0.00 0.00 41.25 39.31 3i3b s ASN 935 CO 0.52 -1.31 0.00 0.61 -2.94 0.00 0.00 177.10 173.99 3i3b n GLY 936 N -0.45 0.35 3.72 0.45 0.00 -1.26 -4.82 105.19 103.19 3i3b n GLY 936 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3i3b n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i3b s LEU 937 N 0.00 3.40 -0.03 0.99 2.96 -1.26 -4.55 118.68 120.19 3i3b s LEU 937 Ca 0.00 2.43 -0.01 0.00 -0.22 0.00 0.00 54.13 56.34 3i3b s LEU 937 Cb 0.00 -4.60 0.03 0.00 0.50 0.00 0.00 46.19 42.12 3i3b s LEU 937 CO 0.00 -2.18 0.05 -0.13 -1.32 0.00 0.00 176.35 172.77 3i3b s ARG 938 N -3.74 -0.03 0.56 1.98 3.00 -0.19 -0.68 118.95 119.85 3i3b s ARG 938 Ca 0.77 0.25 0.09 0.00 0.00 0.00 0.00 55.73 56.83 3i3b s ARG 938 Cb -0.31 -0.28 0.07 0.00 0.00 0.00 0.00 34.95 34.43 3i3b s ARG 938 CO 0.43 -0.20 0.71 0.00 0.00 0.00 0.00 175.30 176.24 3i3b n GLY 940 N -2.14 -0.49 3.70 0.00 0.00 -1.22 -1.73 105.19 103.31 3i3b n GLY 940 Ca 0.12 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 3i3b n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3b s THR 941 N -3.21 5.20 -0.23 2.61 2.01 -0.69 -3.58 115.64 117.76 3i3b s THR 941 Ca 0.61 0.79 0.18 0.00 0.31 0.00 0.00 61.69 63.58 3i3b s THR 941 Cb -0.31 -3.75 -0.26 0.00 0.01 0.00 0.00 72.50 68.18 3i3b s THR 941 CO 0.76 0.29 0.49 0.54 -0.69 0.00 0.00 174.62 176.00 3i3b n ARG 942 N 4.09 0.71 -3.68 4.92 5.12 0.41 -1.84 116.66 126.39 3i3b n ARG 942 Ca -0.08 -0.12 -0.10 0.00 -1.93 0.00 0.00 57.85 55.62 3i3b n ARG 942 Cb 0.51 -1.41 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 3i3b n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3i3b s GLU 943 N -3.11 0.43 -0.07 5.56 2.12 -1.15 -2.33 118.70 120.15 3i3b s GLU 943 Ca -0.03 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.23 3i3b s GLU 943 Cb 0.12 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.56 3i3b s GLU 943 CO 0.75 -0.17 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.92 3i3b s LEU 944 N 1.61 1.97 -0.08 2.70 2.96 -0.10 -0.03 118.68 127.72 3i3b s LEU 944 Ca -0.09 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 3i3b s LEU 944 Cb -0.08 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.42 3i3b s LEU 944 CO -0.14 0.17 -0.16 0.20 -1.32 0.00 0.00 176.35 175.10 3i3b s ASN 945 N 0.13 2.29 -0.26 3.68 0.01 0.18 -0.82 114.94 120.17 3i3b s ASN 945 Ca -0.09 -0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 3i3b s ASN 945 Cb -0.14 -1.05 0.14 0.00 0.41 0.00 0.00 41.25 40.61 3i3b s ASN 945 CO 0.05 0.07 0.42 -0.47 -1.51 0.00 0.00 177.10 175.65 3i3b s TYR 946 N 0.63 -0.97 0.00 2.20 5.04 -0.79 -1.61 117.35 121.85 3i3b s TYR 946 Ca -0.14 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 3i3b s TYR 946 Cb -0.16 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.25 3i3b s TYR 946 CO 0.04 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 3i3b n GLY 947 N 5.37 3.04 0.50 8.97 0.00 -1.26 -1.87 105.19 119.94 3i3b n GLY 947 Ca -0.03 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3i3b n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i3b n PRO 948 N 13.33 1.66 -3.75 1.61 -0.04 -1.26 -4.85 135.00 141.69 3i3b n PRO 948 Ca 0.00 -1.01 -0.31 0.00 -0.04 0.00 0.00 63.50 62.14 3i3b n PRO 948 Cb 0.00 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 3i3b n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i3b s HIS 949 N -2.04 3.49 -0.04 0.54 3.76 -0.78 0.10 115.29 120.31 3i3b s HIS 949 Ca 0.36 0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 55.69 3i3b s HIS 949 Cb 0.21 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 32.02 3i3b s HIS 949 CO 0.35 0.48 0.09 -1.14 -0.85 0.00 0.00 174.74 173.66 3i3b s GLN 950 N -2.68 0.03 -0.06 1.40 0.74 -0.59 -1.89 119.66 116.62 3i3b s GLN 950 Ca 0.39 0.28 0.06 0.00 0.05 0.00 0.00 55.36 56.13 3i3b s GLN 950 Cb -0.12 -0.20 -0.01 0.00 1.10 0.00 0.00 33.01 33.77 3i3b s GLN 950 CO 0.26 -0.16 -0.24 -1.58 -0.55 0.00 0.00 175.29 173.02 3i3b s TRP 951 N 1.09 2.46 0.08 1.67 0.51 0.00 -1.82 118.94 122.94 3i3b s TRP 951 Ca -0.09 -0.70 0.05 0.00 -2.12 0.00 0.00 56.10 53.24 3i3b s TRP 951 Cb -0.12 -1.61 -0.03 0.00 -0.81 0.00 0.00 33.47 30.90 3i3b s TRP 951 CO -0.04 -0.20 -0.14 1.03 -0.51 0.00 0.00 176.95 177.08 3i3b s ARG 952 N -0.17 0.87 0.00 4.98 0.52 -0.47 -0.92 118.95 123.75 3i3b s ARG 952 Ca -0.03 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 3i3b s ARG 952 Cb -0.14 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.50 3i3b s ARG 952 CO 0.04 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.94 3i3b n GLY 953 N 1.08 -0.10 2.82 -3.53 0.00 -0.98 -0.55 105.19 103.93 3i3b n GLY 953 Ca -0.20 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 3i3b n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i3b s ASP 954 N -4.00 -0.02 0.34 1.61 2.15 -1.25 -4.23 116.67 111.27 3i3b s ASP 954 Ca 0.00 -1.63 0.06 0.00 0.43 0.00 0.00 52.55 51.41 3i3b s ASP 954 Cb 0.00 1.06 -0.02 0.00 -0.30 0.00 0.00 42.92 43.66 3i3b s ASP 954 CO 0.00 -0.18 0.22 2.22 -0.17 0.00 0.00 175.17 177.26 3i3b n PHE 955 N 3.81 -0.42 -4.68 -5.34 1.16 -0.77 -4.86 117.46 106.36 3i3b n PHE 955 Ca 0.15 -2.60 -0.30 0.00 -1.87 0.00 0.00 57.45 52.83 3i3b n PHE 955 Cb 0.51 0.17 -0.13 0.00 -1.61 0.00 0.00 39.48 38.41 3i3b n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3i3b s GLN 956 N -3.36 1.84 0.11 3.97 -1.52 0.58 -1.70 119.66 119.58 3i3b s GLN 956 Ca 0.31 -1.11 -0.14 0.00 -1.95 0.00 0.00 55.36 52.47 3i3b s GLN 956 Cb 0.02 -2.06 0.03 0.00 -0.22 0.00 0.00 33.01 30.77 3i3b s GLN 956 CO 0.22 0.51 0.35 -0.59 -0.25 0.00 0.00 175.29 175.53 3i3b s PHE 957 N -0.92 -0.12 -0.00 0.91 -0.71 -0.55 -0.10 117.98 116.48 3i3b s PHE 957 Ca 0.14 -0.20 -0.05 0.00 -1.04 0.00 0.00 56.93 55.78 3i3b s PHE 957 Cb -0.10 0.17 -0.00 0.00 -1.21 0.00 0.00 43.02 41.88 3i3b s PHE 957 CO 0.05 -0.64 0.10 0.54 -1.34 0.00 0.00 175.22 173.92 3i3b s ASN 958 N -2.73 0.05 -0.12 1.98 2.20 -0.93 -1.03 114.94 114.37 3i3b s ASN 958 Ca 0.02 -0.19 -0.08 0.00 -0.94 0.00 0.00 52.86 51.68 3i3b s ASN 958 Cb 0.02 0.19 0.04 0.00 -2.00 0.00 0.00 41.25 39.50 3i3b s ASN 958 CO -0.11 -0.30 0.29 -0.51 -2.94 0.00 0.00 177.10 173.54 3i3b s ILE 959 N -1.14 -0.02 0.06 0.54 2.07 -1.26 -1.50 121.20 119.95 3i3b s ILE 959 Ca -0.12 0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.06 3i3b s ILE 959 Cb -0.07 -0.43 0.05 0.00 0.13 0.00 0.00 42.46 42.14 3i3b s ILE 959 CO 0.01 0.03 0.63 -1.54 -1.91 0.00 0.00 174.94 172.16 3i3b n SER 960 N 3.72 -0.87 -0.69 4.50 3.41 -0.64 -4.59 113.62 118.45 3i3b n SER 960 Ca -0.20 -1.39 0.08 0.00 -0.26 0.00 0.00 58.87 57.10 3i3b n SER 960 Cb 0.55 1.40 0.24 0.00 -0.26 0.00 0.00 64.21 66.15 3i3b n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3b n ARG 961 N -0.44 1.87 -5.03 4.33 5.12 -1.26 0.19 116.66 121.43 3i3b n ARG 961 Ca 0.00 -1.34 -0.30 0.00 -1.93 0.00 0.00 57.85 54.27 3i3b n ARG 961 Cb 0.33 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.12 3i3b n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i3b s TYR 962 N -1.58 2.32 0.53 -1.55 2.02 -1.26 -0.39 117.35 117.44 3i3b s TYR 962 Ca 0.29 -0.95 -0.12 0.00 -0.37 0.00 0.00 57.07 55.92 3i3b s TYR 962 Cb 0.15 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 3i3b s TYR 962 CO 0.21 -0.40 0.94 -1.54 -1.57 0.00 0.00 175.55 173.19 3i3b s SER 963 N 0.45 6.40 0.44 2.29 1.04 -1.26 -4.82 113.70 118.24 3i3b s SER 963 Ca -0.17 1.34 0.11 0.00 0.48 0.00 0.00 55.95 57.72 3i3b s SER 963 Cb -0.17 -2.42 1.00 0.00 0.10 0.00 0.00 66.02 64.52 3i3b s SER 963 CO 0.07 -0.67 2.04 1.56 0.98 0.00 0.00 173.24 177.23 3i3b h GLN 964 N 0.39 0.39 0.14 4.02 1.08 -1.99 -0.52 115.11 118.62 3i3b h GLN 964 Ca -0.46 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 3i3b h GLN 964 Cb 1.19 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3i3b h GLN 964 CO 0.62 0.26 -0.07 0.37 -0.95 0.00 0.00 178.83 179.06 3i3b h GLN 965 N 0.40 -0.18 -0.51 1.46 4.15 -1.98 -0.06 115.11 118.38 3i3b h GLN 965 Ca 0.18 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 3i3b h GLN 965 Cb 0.20 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3i3b h GLN 965 CO -0.04 0.02 0.22 0.37 -1.93 0.00 0.00 178.83 177.47 3i3b h GLN 966 N -0.36 0.76 -0.81 1.69 4.15 -1.74 -1.15 115.11 117.64 3i3b h GLN 966 Ca -0.02 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.30 3i3b h GLN 966 Cb 0.29 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3i3b h GLN 966 CO 0.03 0.66 0.53 -0.07 -1.93 0.00 0.00 178.83 178.06 3i3b h LEU 967 N 0.69 0.86 -0.72 -2.39 3.38 -1.05 -0.61 115.31 115.48 3i3b h LEU 967 Ca 0.17 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3i3b h LEU 967 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3i3b h LEU 967 CO -0.02 0.60 -0.47 -0.03 0.09 0.00 0.00 178.44 178.61 3i3b h MET 968 N 1.00 0.42 0.00 1.13 4.05 -0.46 -3.25 114.93 117.82 3i3b h MET 968 Ca 0.32 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 3i3b h MET 968 Cb 0.03 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3i3b h MET 968 CO -0.09 0.80 -0.67 0.39 0.23 0.00 0.00 176.91 177.57 3i3b n GLU 969 N -3.99 0.01 -3.68 0.39 1.02 -0.49 -4.90 120.64 109.01 3i3b n GLU 969 Ca -0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.77 3i3b n GLU 969 Cb 0.54 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 3i3b n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3b s THR 970 N -3.01 5.38 0.03 2.62 2.01 -0.29 -5.00 115.64 117.39 3i3b s THR 970 Ca 0.10 0.28 0.10 0.00 0.31 0.00 0.00 61.69 62.48 3i3b s THR 970 Cb 0.17 -3.51 -0.17 0.00 0.01 0.00 0.00 72.50 68.99 3i3b s THR 970 CO 0.76 0.42 1.14 0.77 -0.69 0.00 0.00 174.62 177.02 3i3b h SER 971 N 6.69 0.00 -4.27 3.53 4.64 -1.90 -3.38 113.55 118.86 3i3b h SER 971 Ca -0.41 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.46 3i3b h SER 971 Cb 1.15 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.98 3i3b h SER 971 CO 0.76 0.91 -0.80 -1.00 -0.87 0.00 0.00 176.83 175.83 3i3b s HIS 972 N -2.73 1.20 0.52 4.77 3.76 -1.26 -4.34 115.29 117.21 3i3b s HIS 972 Ca -0.00 -0.31 0.17 0.00 -0.15 0.00 0.00 55.06 54.77 3i3b s HIS 972 Cb 0.09 -0.74 1.29 0.00 1.11 0.00 0.00 32.58 34.34 3i3b s HIS 972 CO 0.81 0.01 2.14 0.07 -0.85 0.00 0.00 174.74 176.93 3i3b h ARG 973 N 5.24 0.00 0.00 1.40 0.11 -1.10 -1.27 114.38 118.76 3i3b h ARG 973 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3i3b h ARG 973 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3i3b h ARG 973 CO 0.46 0.02 0.00 -2.39 0.10 0.00 0.00 179.97 178.16 3i3b n HIS 974 N -4.44 0.46 1.16 4.08 1.44 -1.26 -2.27 115.22 114.39 3i3b n HIS 974 Ca -0.03 0.16 0.13 0.00 -2.01 0.00 0.00 57.72 55.97 3i3b n HIS 974 Cb 0.11 -0.77 0.40 0.00 0.12 0.00 0.00 29.99 29.86 3i3b n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i3b n LEU 975 N -1.90 0.61 -4.77 2.39 4.77 -0.48 -4.91 117.00 112.70 3i3b n LEU 975 Ca 0.04 -0.03 -0.38 0.00 -0.03 0.00 0.00 56.01 55.61 3i3b n LEU 975 Cb 0.27 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3i3b n LEU 975 CO 0.21 0.13 0.78 -0.76 -1.33 0.00 0.00 177.39 176.41 3i3b s LEU 976 N -2.73 4.23 -0.05 2.23 1.43 -0.96 -5.05 118.68 117.78 3i3b s LEU 976 Ca 0.19 2.18 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 3i3b s LEU 976 Cb 0.19 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.39 3i3b s LEU 976 CO 0.58 -0.49 -0.11 -1.38 0.23 0.00 0.00 176.35 175.18 3i3b s HIS 977 N -1.49 1.28 0.10 0.29 -3.43 -1.26 -5.10 115.29 105.68 3i3b s HIS 977 Ca 0.55 -0.42 -0.31 0.00 -0.80 0.00 0.00 55.06 54.08 3i3b s HIS 977 Cb -0.27 -0.94 -0.10 0.00 -1.43 0.00 0.00 32.58 29.84 3i3b s HIS 977 CO 0.34 -0.22 1.80 0.00 -2.00 0.00 0.00 174.74 174.66 3i3b s ALA 978 N 0.54 3.72 0.84 -1.38 0.00 -1.26 -4.82 121.76 119.40 3i3b s ALA 978 Ca -0.11 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3i3b s ALA 978 Cb -0.14 -3.76 0.11 0.00 0.00 0.00 0.00 23.12 19.34 3i3b s ALA 978 CO 0.02 -1.25 1.20 -1.21 0.00 0.00 0.00 175.76 174.53 3i3b s GLU 979 N 2.98 1.59 0.37 0.00 2.02 0.47 -5.01 118.70 121.11 3i3b s GLU 979 Ca 0.80 -0.11 -0.26 0.00 0.02 0.00 0.00 54.97 55.42 3i3b s GLU 979 Cb -0.44 -1.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.75 3i3b s GLU 979 CO 0.36 -1.80 1.11 -2.00 0.02 0.00 0.00 175.26 172.95 3i3b s GLU 980 N -5.63 4.25 2.32 1.61 2.12 -1.26 -4.79 118.70 117.32 3i3b s GLU 980 Ca 0.65 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.70 3i3b s GLU 980 Cb -0.09 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.53 3i3b s GLU 980 CO 0.50 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 3i3b n GLY 981 N 0.68 -0.68 2.85 -1.50 0.00 -1.26 -4.83 105.19 100.45 3i3b n GLY 981 Ca 0.03 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 3i3b n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3b s THR 982 N 0.00 0.60 -0.09 2.61 2.01 0.51 -4.72 115.64 116.56 3i3b s THR 982 Ca 0.00 -0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 3i3b s THR 982 Cb 0.00 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 3i3b s THR 982 CO 0.00 0.28 0.88 0.26 -0.69 0.00 0.00 174.62 175.35 3i3b s TRP 983 N 1.55 3.53 -0.06 4.92 0.52 0.13 -0.29 118.94 129.24 3i3b s TRP 983 Ca -0.00 1.44 0.05 0.00 0.02 0.00 0.00 56.10 57.61 3i3b s TRP 983 Cb -0.13 -3.04 -0.01 0.00 -1.15 0.00 0.00 33.47 29.13 3i3b s TRP 983 CO -0.04 -0.12 -0.22 -1.17 0.02 0.00 0.00 176.95 175.43 3i3b s LEU 984 N 1.58 2.28 -0.21 2.99 2.96 -0.45 -1.63 118.68 126.20 3i3b s LEU 984 Ca 0.44 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3i3b s LEU 984 Cb -0.18 -1.44 0.05 0.00 0.50 0.00 0.00 46.19 45.12 3i3b s LEU 984 CO 0.19 0.26 -0.08 0.20 -1.32 0.00 0.00 176.35 175.59 3i3b s ASN 985 N -0.21 3.53 -0.25 3.68 0.01 -0.56 -2.10 114.94 119.02 3i3b s ASN 985 Ca -0.01 -0.99 -0.03 0.00 -0.71 0.00 0.00 52.86 51.13 3i3b s ASN 985 Cb -0.13 -1.17 0.02 0.00 0.41 0.00 0.00 41.25 40.37 3i3b s ASN 985 CO 0.03 -0.19 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.76 3i3b s ILE 986 N 1.42 3.07 -0.08 0.60 1.01 -0.09 -2.18 121.20 124.96 3i3b s ILE 986 Ca -0.03 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.70 3i3b s ILE 986 Cb -0.17 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3i3b s ILE 986 CO -0.07 0.21 -0.08 -1.81 0.00 0.00 0.00 174.94 173.19 3i3b s ASP 987 N 1.36 4.58 0.09 3.58 1.01 0.85 -0.50 116.67 127.64 3i3b s ASP 987 Ca 0.01 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.23 3i3b s ASP 987 Cb -0.16 -1.21 -0.24 0.00 1.01 0.00 0.00 42.92 42.31 3i3b s ASP 987 CO -0.03 0.34 1.17 1.23 0.21 0.00 0.00 175.17 178.08 3i3b h GLY 988 N 5.44 0.14 -5.04 0.21 0.00 -1.48 0.17 103.07 102.50 3i3b h GLY 988 Ca -0.46 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.34 3i3b h GLY 988 CO 0.53 0.32 -0.51 -1.36 0.00 0.00 0.00 176.54 175.52 3i3b s PHE 989 N -2.68 -0.04 0.00 5.60 0.40 -1.12 -4.69 117.98 115.45 3i3b s PHE 989 Ca -0.02 0.09 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 3i3b s PHE 989 Cb 0.09 -0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.61 3i3b s PHE 989 CO 0.85 -0.20 0.00 -1.58 0.70 0.00 0.00 175.22 174.99 3i3b s HIS 990 N -0.78 0.02 0.51 0.36 2.46 -1.26 -1.59 115.29 115.01 3i3b s HIS 990 Ca -0.09 -0.04 -0.20 0.00 0.47 0.00 0.00 55.06 55.21 3i3b s HIS 990 Cb -0.05 -0.01 -0.07 0.00 -0.13 0.00 0.00 32.58 32.31 3i3b s HIS 990 CO 0.01 -0.02 1.07 1.41 -2.47 0.00 0.00 174.74 174.74 3i3b s MET 991 N -0.12 3.63 0.98 2.88 1.75 -0.24 -4.77 119.30 123.42 3i3b s MET 991 Ca -0.01 1.45 -0.11 0.00 -1.25 0.00 0.00 55.69 55.76 3i3b s MET 991 Cb -0.01 -2.06 0.18 0.00 2.84 0.00 0.00 34.83 35.78 3i3b s MET 991 CO -0.00 -0.59 1.10 0.20 -0.65 0.00 0.00 175.02 175.08 3i3b s GLY 992 N -1.93 1.63 0.04 2.11 0.00 -0.23 -4.73 107.32 104.22 3i3b s GLY 992 Ca 0.69 0.27 0.21 0.00 0.00 0.00 0.00 44.72 45.88 3i3b s GLY 992 CO 0.23 0.79 0.68 0.29 0.00 0.00 0.00 173.10 175.09 3i3b n ILE 993 N -4.38 0.58 -4.32 0.90 -5.35 -1.26 -4.93 119.36 100.60 3i3b n ILE 993 Ca 0.08 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 3i3b n ILE 993 Cb 0.53 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3i3b n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i3b n GLY 994 N 1.31 -0.54 0.00 3.28 0.00 -1.26 -4.75 105.19 103.23 3i3b n GLY 994 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3i3b n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 995 N 0.00 0.50 0.49 -0.02 0.00 -1.26 -0.43 105.19 104.47 3i3b n GLY 995 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.33 3i3b n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i3b h ASP 996 N 0.00 0.00 -4.99 1.61 3.32 -1.81 -1.16 116.42 113.40 3i3b h ASP 996 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3i3b h ASP 996 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 3i3b h ASP 996 CO 0.00 0.00 0.36 1.51 -1.72 0.00 0.00 179.24 179.39 3i3b s ASP 997 N -5.20 -0.35 -0.26 6.45 1.47 -1.26 -4.09 116.67 113.43 3i3b s ASP 997 Ca -0.05 -0.23 0.10 0.00 1.18 0.00 0.00 52.55 53.55 3i3b s ASP 997 Cb 0.21 0.54 0.47 0.00 -0.34 0.00 0.00 42.92 43.80 3i3b s ASP 997 CO 0.74 -0.94 1.36 -1.20 0.68 0.00 0.00 175.17 175.81 3i3b n SER 998 N -0.38 2.13 -0.76 2.11 7.64 -1.26 -4.61 113.62 118.49 3i3b n SER 998 Ca -0.09 -3.85 0.03 0.00 1.01 0.00 0.00 58.87 55.96 3i3b n SER 998 Cb 0.62 -0.59 0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3i3b n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3i3b n TRP 999 N -1.13 0.00 -3.58 1.43 2.14 -1.26 -2.96 117.44 112.09 3i3b n TRP 999 Ca 0.27 -0.35 -0.09 0.00 2.07 0.00 0.00 57.50 59.41 3i3b n TRP 999 Cb 0.89 -0.10 -0.04 0.00 -0.81 0.00 0.00 31.31 31.24 3i3b n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3i3b s SER 1000N -1.64 -0.31 -0.15 -0.67 1.04 -1.26 -4.87 113.70 105.84 3i3b s SER 1000Ca 0.16 0.29 -0.37 0.00 0.48 0.00 0.00 55.95 56.51 3i3b s SER 1000Cb 0.17 0.26 -0.14 0.00 0.10 0.00 0.00 66.02 66.41 3i3b s SER 1000CO -0.05 -0.32 1.73 -2.65 0.98 0.00 0.00 173.24 172.93 3i3b n PRO 1001N 0.56 1.55 0.00 4.02 -0.02 -1.26 -4.83 135.00 135.02 3i3b n PRO 1001Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3i3b n PRO 1001Cb 0.58 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3i3b n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i3b n SER 1002N 5.35 0.97 -4.66 2.55 3.41 -1.26 -5.01 113.62 114.97 3i3b n SER 1002Ca 0.24 -1.27 -0.43 0.00 -0.26 0.00 0.00 58.87 57.14 3i3b n SER 1002Cb 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3i3b n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i3b s VAL 1003N -0.27 4.33 0.60 -3.33 1.01 -1.26 -4.35 120.40 117.13 3i3b s VAL 1003Ca 0.00 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.38 3i3b s VAL 1003Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3i3b s VAL 1003CO 0.00 -0.19 1.30 -0.55 0.00 0.00 0.00 175.10 175.66 3i3b s SER 1004N 1.96 4.93 0.30 3.32 0.15 -1.26 -4.85 113.70 118.25 3i3b s SER 1004Ca 0.53 2.62 0.05 0.00 0.70 0.00 0.00 55.95 59.85 3i3b s SER 1004Cb -0.20 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.20 3i3b s SER 1004CO 0.14 -1.79 1.77 0.00 1.20 0.00 0.00 173.24 174.57 3i3b h ALA 1005N 0.91 1.60 0.00 5.45 0.00 -1.95 0.07 119.26 125.34 3i3b h ALA 1005Ca -0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i3b h ALA 1005Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i3b h ALA 1005CO 0.55 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.88 3i3b n GLU 1006N -4.80 0.21 -0.09 0.00 0.00 -1.26 -2.03 120.64 112.68 3i3b n GLU 1006Ca 0.22 0.14 0.03 0.00 0.00 0.00 0.00 57.16 57.56 3i3b n GLU 1006Cb 0.56 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.57 3i3b n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3i3b n PHE 1007N -1.27 0.21 -3.83 -1.84 3.72 0.00 -4.99 117.46 109.47 3i3b n PHE 1007Ca 0.07 -0.52 -0.37 0.00 -0.05 0.00 0.00 57.45 56.57 3i3b n PHE 1007Cb 0.11 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3i3b n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3i3b s GLN 1008N -1.10 3.52 -1.31 -1.08 -0.21 -0.86 -1.07 119.66 117.56 3i3b s GLN 1008Ca 0.12 -0.07 -0.17 0.00 0.02 0.00 0.00 55.36 55.26 3i3b s GLN 1008Cb 0.07 -3.20 0.08 0.00 1.00 0.00 0.00 33.01 30.96 3i3b s GLN 1008CO 0.07 0.75 1.76 1.28 -2.12 0.00 0.00 175.29 177.03 3i3b n LEU 1009N 2.02 5.26 -0.64 2.90 4.77 -1.26 -4.66 117.00 125.39 3i3b n LEU 1009Ca -0.19 -4.05 0.06 0.00 -0.03 0.00 0.00 56.01 51.80 3i3b n LEU 1009Cb 0.55 -1.71 0.14 0.00 -2.33 0.00 0.00 43.42 40.06 3i3b n LEU 1009CO 0.32 0.39 0.60 -1.54 -1.33 0.00 0.00 177.39 175.82 3i3b n SER 1010N 7.58 2.78 0.17 -1.43 3.41 -1.26 -4.37 113.62 120.50 3i3b n SER 1010Ca 0.47 -1.89 0.12 0.00 -0.26 0.00 0.00 58.87 57.31 3i3b n SER 1010Cb 0.44 -0.20 0.60 0.00 -0.26 0.00 0.00 64.21 64.80 3i3b n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b h ALA 1011N 2.21 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 124.36 3i3b h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3b h ALA 1011Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i3b h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i3b n GLY 1012N -0.86 1.06 2.88 0.00 0.00 -1.26 -4.86 105.19 102.15 3i3b n GLY 1012Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3i3b n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3b s ARG 1013N 0.00 0.93 0.02 1.61 0.52 -1.26 -0.06 118.95 120.71 3i3b s ARG 1013Ca 0.00 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.16 3i3b s ARG 1013Cb 0.00 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.47 3i3b s ARG 1013CO 0.00 -0.12 -0.19 0.71 0.02 0.00 0.00 175.30 175.71 3i3b s TYR 1014N 1.14 1.68 -0.02 -0.53 2.02 0.64 -4.97 117.35 117.31 3i3b s TYR 1014Ca -0.07 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3i3b s TYR 1014Cb -0.14 -1.03 0.00 0.00 -0.40 0.00 0.00 41.96 40.39 3i3b s TYR 1014CO -0.01 0.04 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.35 3i3b s HIS 1015N -0.66 0.74 0.13 2.71 5.65 -1.26 -0.14 115.29 122.46 3i3b s HIS 1015Ca 0.07 -0.16 -0.21 0.00 0.25 0.00 0.00 55.06 55.01 3i3b s HIS 1015Cb -0.08 -0.53 0.06 0.00 -1.18 0.00 0.00 32.58 30.85 3i3b s HIS 1015CO 0.01 -0.06 0.52 1.52 -0.65 0.00 0.00 174.74 176.08 3i3b s TYR 1016N 0.11 -0.41 0.02 3.88 1.13 -0.72 -5.02 117.35 116.33 3i3b s TYR 1016Ca -0.01 0.20 0.01 0.00 -1.41 0.00 0.00 57.07 55.86 3i3b s TYR 1016Cb -0.06 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 3i3b s TYR 1016CO -0.00 -0.77 -0.05 -0.65 -2.51 0.00 0.00 175.55 171.56 3i3b s GLN 1017N -3.61 0.39 -0.01 -3.49 -0.21 -1.26 -1.26 119.66 110.21 3i3b s GLN 1017Ca 0.01 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.92 3i3b s GLN 1017Cb 0.00 -0.21 0.01 0.00 1.00 0.00 0.00 33.01 33.80 3i3b s GLN 1017CO -0.11 0.04 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.58 3i3b s LEU 1018N -0.95 1.81 -0.21 2.90 1.43 -0.39 -4.21 118.68 119.06 3i3b s LEU 1018Ca -0.06 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 3i3b s LEU 1018Cb -0.06 -0.10 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 3i3b s LEU 1018CO -0.00 -0.01 -0.02 -0.69 0.23 0.00 0.00 176.35 175.86 3i3b s VAL 1019N 0.20 3.69 -0.22 -1.59 1.01 0.29 0.05 120.40 123.83 3i3b s VAL 1019Ca -0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3i3b s VAL 1019Cb -0.03 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3i3b s VAL 1019CO -0.01 0.42 0.04 0.86 0.00 0.00 0.00 175.10 176.42 3i3b s TRP 1020N 1.19 3.07 0.17 5.22 -0.11 0.13 -1.37 118.94 127.24 3i3b s TRP 1020Ca 0.03 -0.43 -0.07 0.00 1.22 0.00 0.00 56.10 56.84 3i3b s TRP 1020Cb -0.14 -2.16 -0.02 0.00 -1.50 0.00 0.00 33.47 29.65 3i3b s TRP 1020CO 0.00 -0.29 0.26 0.00 -4.62 0.00 0.00 176.95 172.30 3i3b s GLN 1022N -4.00 4.66 0.00 0.00 0.74 -1.26 -1.54 119.66 118.25 3i3b s GLN 1022Ca 0.21 1.45 0.27 0.00 0.05 0.00 0.00 55.36 57.34 3i3b s GLN 1022Cb 0.04 -3.40 0.86 0.00 1.10 0.00 0.00 33.01 31.61 3i3b s GLN 1022CO 0.03 0.13 1.64 1.17 -0.55 0.00 0.00 175.29 177.71