#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 -0.03 3.01 -5.12 0.00 -1.26 -5.09 105.19 96.70 1r3b n GLY 15 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N 0.00 4.17 -0.05 1.61 0.01 -1.26 -5.11 113.70 113.07 1r3b s SER 16 Ca 0.00 -1.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.92 1r3b s SER 16 Cb 0.00 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 1r3b s SER 16 CO 0.00 -0.22 0.15 -0.55 0.41 0.00 0.00 173.24 173.03 1r3b s SER 17 N 1.24 6.24 -0.31 2.44 0.15 -1.26 -5.08 113.70 117.12 1r3b s SER 17 Ca -0.07 0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.91 1r3b s SER 17 Cb -0.19 -1.95 0.12 0.00 -1.71 0.00 0.00 66.02 62.28 1r3b s SER 17 CO -0.06 0.32 0.17 -1.00 1.20 0.00 0.00 173.24 173.87 1r3b s HIS 18 N -1.19 0.41 -0.36 3.44 0.09 -1.26 -5.09 115.29 111.33 1r3b s HIS 18 Ca 0.22 -1.10 0.03 0.00 -0.00 0.00 0.00 55.06 54.22 1r3b s HIS 18 Cb -0.12 -0.88 0.10 0.00 -0.00 0.00 0.00 32.58 31.68 1r3b s HIS 18 CO 0.13 -0.84 0.08 -3.38 -0.00 0.00 0.00 174.74 170.74 1r3b s HIS 19 N 1.76 3.35 -0.21 1.40 0.00 -1.26 -5.08 115.29 115.26 1r3b s HIS 19 Ca 0.12 -2.82 0.01 0.00 -3.00 0.00 0.00 55.06 49.37 1r3b s HIS 19 Cb -0.18 -2.71 0.03 0.00 -4.00 0.00 0.00 32.58 25.72 1r3b s HIS 19 CO -0.24 -0.91 -0.16 -1.01 -1.00 0.00 0.00 174.74 171.42 1r3b s HIS 20 N 0.87 2.92 0.02 0.38 0.09 -1.26 -5.11 115.29 113.20 1r3b s HIS 20 Ca 0.12 -1.78 0.06 0.00 -0.00 0.00 0.00 55.06 53.46 1r3b s HIS 20 Cb -0.20 -1.94 -0.02 0.00 -0.00 0.00 0.00 32.58 30.42 1r3b s HIS 20 CO -0.10 -0.81 -0.19 -3.38 -0.00 0.00 0.00 174.74 170.26 1r3b s HIS 21 N 1.25 1.66 -0.24 1.40 0.00 -1.26 -5.14 115.29 112.97 1r3b s HIS 21 Ca 0.01 -0.35 -0.19 0.00 -3.00 0.00 0.00 55.06 51.53 1r3b s HIS 21 Cb -0.15 -1.02 0.07 0.00 -4.00 0.00 0.00 32.58 27.48 1r3b s HIS 21 CO -0.10 0.04 0.62 -3.38 -1.00 0.00 0.00 174.74 170.92 1r3b s HIS 22 N -0.68 -0.78 0.31 0.38 0.00 -1.26 -5.17 115.29 108.09 1r3b s HIS 22 Ca 0.06 1.76 -0.12 0.00 -3.00 0.00 0.00 55.06 53.77 1r3b s HIS 22 Cb -0.08 0.34 0.05 0.00 -4.00 0.00 0.00 32.58 28.89 1r3b s HIS 22 CO 0.01 -0.38 0.63 -2.39 -1.00 0.00 0.00 174.74 171.60 1r3b n HIS 23 N 3.28 -2.08 -3.57 0.38 -0.00 -1.26 -5.17 115.22 106.80 1r3b n HIS 23 Ca -0.16 -1.48 -0.04 0.00 -0.00 0.00 0.00 57.72 56.04 1r3b n HIS 23 Cb 0.56 0.73 -0.06 0.00 -0.00 0.00 0.00 29.99 31.23 1r3b n HIS 23 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1r3b s SER 24 N -2.64 -0.76 -0.21 4.39 0.01 -1.26 -5.14 113.70 108.08 1r3b s SER 24 Ca 0.13 1.19 -0.03 0.00 1.31 0.00 0.00 55.95 58.55 1r3b s SER 24 Cb -0.04 1.87 -0.01 0.00 0.21 0.00 0.00 66.02 68.05 1r3b s SER 24 CO 0.10 -0.23 -0.06 -0.44 0.41 0.00 0.00 173.24 173.02 1r3b s SER 25 N 2.77 4.24 0.00 2.44 0.01 -1.26 -5.09 113.70 116.81 1r3b s SER 25 Ca -0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1r3b s SER 25 Cb -0.13 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1r3b s SER 25 CO -0.17 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1r3b n GLY 26 N 4.65 4.78 2.20 3.44 0.00 -1.26 -5.08 105.19 113.93 1r3b n GLY 26 Ca -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1r3b n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r3b n LEU 27 N 0.00 -6.30 -4.76 0.99 4.77 -1.26 -4.94 117.00 105.50 1r3b n LEU 27 Ca 0.00 2.90 -0.40 0.00 -0.03 0.00 0.00 56.01 58.48 1r3b n LEU 27 Cb 0.00 -3.14 -0.05 0.00 -2.33 0.00 0.00 43.42 37.90 1r3b n LEU 27 CO 0.00 -2.44 0.48 -0.69 -1.33 0.00 0.00 177.39 173.41 1r3b s VAL 28 N -0.55 4.59 0.83 4.08 1.01 -1.26 -5.05 120.40 124.05 1r3b s VAL 28 Ca 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 1r3b s VAL 28 Cb 0.00 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.35 1r3b s VAL 28 CO 0.00 0.42 1.13 -2.16 0.00 0.00 0.00 175.10 174.49 1r3b s PRO 29 N -0.46 1.66 0.03 2.72 0.04 -1.26 -5.04 135.00 132.69 1r3b s PRO 29 Ca 0.38 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1r3b s PRO 29 Cb -0.22 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1r3b s PRO 29 CO 0.24 -2.13 0.10 1.03 0.04 0.00 0.00 177.00 176.28 1r3b s ARG 30 N -4.68 3.05 0.00 4.56 0.52 -1.26 -5.10 118.95 116.04 1r3b s ARG 30 Ca 0.65 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1r3b s ARG 30 Cb -0.21 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.43 1r3b s ARG 30 CO 0.56 0.61 0.00 0.41 0.02 0.00 0.00 175.30 176.90 1r3b n GLY 31 N 0.82 1.44 2.85 -3.53 0.00 -1.26 -5.10 105.19 100.41 1r3b n GLY 31 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 32 N 0.45 3.87 -0.46 1.61 0.15 -1.26 -5.09 113.70 112.97 1r3b s SER 32 Ca 0.00 -1.39 -0.19 0.00 0.70 0.00 0.00 55.95 55.07 1r3b s SER 32 Cb 0.00 -1.04 0.04 0.00 -1.71 0.00 0.00 66.02 63.31 1r3b s SER 32 CO 0.00 -0.32 0.55 0.00 1.20 0.00 0.00 173.24 174.67 1r3b s ALA 33 N 1.48 3.40 -0.24 5.45 0.00 -1.26 -5.03 121.76 125.56 1r3b s ALA 33 Ca 0.02 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.10 1r3b s ALA 33 Cb -0.18 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1r3b s ALA 33 CO -0.13 -1.81 1.48 -0.08 0.00 0.00 0.00 175.76 175.23 1r3b s THR 34 N 2.44 3.89 -0.69 0.00 -1.32 -1.26 -4.95 115.64 113.74 1r3b s THR 34 Ca 0.15 1.01 -0.26 0.00 -1.21 0.00 0.00 61.69 61.38 1r3b s THR 34 Cb -0.18 -3.88 0.04 0.00 -1.51 0.00 0.00 72.50 66.97 1r3b s THR 34 CO 0.14 -0.35 1.19 -0.22 -2.21 0.00 0.00 174.62 173.17 1r3b s LEU 35 N 4.76 3.48 0.00 9.08 1.98 -1.26 -4.86 118.68 131.85 1r3b s LEU 35 Ca 0.65 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 51.42 1r3b s LEU 35 Cb -0.22 -2.64 0.00 0.00 0.66 0.00 0.00 46.19 44.00 1r3b s LEU 35 CO 0.26 -1.68 0.00 0.61 -1.89 0.00 0.00 176.35 173.65 1r3b n GLY 36 N 5.31 -0.33 3.16 7.98 0.00 -1.26 -5.00 105.19 115.05 1r3b n GLY 36 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 37 N -0.82 4.34 0.00 1.61 0.01 -1.26 -4.95 113.70 112.63 1r3b s SER 37 Ca 0.00 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1r3b s SER 37 Cb 0.00 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1r3b s SER 37 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1r3b n GLY 38 N 4.60 -0.11 3.41 3.44 0.00 -1.26 -4.98 105.19 110.29 1r3b n GLY 38 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 1r3b n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3b s ASN 39 N -4.22 7.10 0.36 1.61 4.22 -1.26 -4.79 114.94 117.96 1r3b s ASN 39 Ca 0.00 -3.11 0.19 0.00 -2.14 0.00 0.00 52.86 47.80 1r3b s ASN 39 Cb 0.00 -2.31 0.47 0.00 1.28 0.00 0.00 41.25 40.69 1r3b s ASN 39 CO 0.00 -0.59 1.63 0.25 -2.04 0.00 0.00 177.10 176.35 1r3b h LEU 40 N 8.48 0.00 -0.42 3.54 5.85 -1.99 -3.26 115.31 127.51 1r3b h LEU 40 Ca 0.23 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1r3b h LEU 40 Cb 0.90 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1r3b h LEU 40 CO 1.11 0.35 0.18 0.03 -0.34 0.00 0.00 178.44 179.76 1r3b h ARG 41 N 0.00 0.35 -0.28 1.25 3.08 -1.99 -1.82 114.38 114.97 1r3b h ARG 41 Ca -0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1r3b h ARG 41 Cb 1.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1r3b h ARG 41 CO 0.05 0.23 -0.23 1.96 -1.07 0.00 0.00 179.97 180.91 1r3b h GLN 42 N 0.36 0.53 0.00 0.04 1.08 -1.82 -2.24 115.11 113.06 1r3b h GLN 42 Ca 0.19 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1r3b h GLN 42 Cb 0.14 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1r3b h GLN 42 CO -0.17 0.72 0.00 0.00 -0.95 0.00 0.00 178.83 178.44 1r3b h ALA 43 N 1.29 1.00 0.01 3.87 0.00 -1.40 -2.64 119.26 121.38 1r3b h ALA 43 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.65 1r3b h ALA 43 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1r3b h ALA 43 CO 0.05 0.00 -2.06 0.28 0.00 0.00 0.00 179.25 177.52 1r3b n VAL 44 N -2.66 1.52 -5.22 0.00 0.31 -0.84 -4.92 118.33 106.53 1r3b n VAL 44 Ca -0.00 -0.81 -0.31 0.00 -0.01 0.00 0.00 64.34 63.21 1r3b n VAL 44 Cb 0.17 -0.84 -0.17 0.00 -0.91 0.00 0.00 33.84 32.10 1r3b n VAL 44 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1r3b s MET 45 N -2.55 2.68 -0.69 5.55 1.00 -0.97 -4.93 119.30 119.40 1r3b s MET 45 Ca -0.09 -0.88 -0.37 0.00 0.00 0.00 0.00 55.69 54.36 1r3b s MET 45 Cb 0.07 -2.17 -0.19 0.00 0.00 0.00 0.00 34.83 32.54 1r3b s MET 45 CO 0.81 0.30 2.40 -0.11 0.00 0.00 0.00 175.02 178.42 1r3b n LEU 46 N 3.18 0.79 -4.76 -0.03 7.94 -1.26 -4.66 117.00 118.20 1r3b n LEU 46 Ca -0.18 0.38 -0.41 0.00 -1.11 0.00 0.00 56.01 54.68 1r3b n LEU 46 Cb 0.52 -0.98 -0.01 0.00 0.53 0.00 0.00 43.42 43.48 1r3b n LEU 46 CO 0.26 -0.79 1.19 -0.81 -1.11 0.00 0.00 177.39 176.14 1r3b n PRO 47 N 8.08 2.68 0.00 1.96 -0.04 -1.26 -4.13 135.00 142.29 1r3b n PRO 47 Ca 0.57 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.98 1r3b n PRO 47 Cb 0.05 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1r3b n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1r3b n GLU 48 N 1.40 0.00 0.00 0.54 -0.58 -1.26 -2.92 120.64 117.82 1r3b n GLU 48 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1r3b n GLU 48 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.25 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r3b n GLY 49 N 0.00 0.00 3.58 0.62 0.00 -1.26 -5.16 105.19 102.97 1r3b n GLY 49 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1r3b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3b s GLU 50 N 0.00 0.02 0.37 1.61 2.02 -1.15 -4.92 118.70 116.65 1r3b s GLU 50 Ca 0.00 1.24 -0.28 0.00 0.02 0.00 0.00 54.97 55.95 1r3b s GLU 50 Cb 0.00 -1.63 -0.10 0.00 0.10 0.00 0.00 34.13 32.49 1r3b s GLU 50 CO 0.00 -3.21 1.41 -0.51 0.02 0.00 0.00 175.26 172.97 1r3b s ASP 51 N -2.55 6.44 0.09 -0.19 1.11 -1.26 -4.86 116.67 115.45 1r3b s ASP 51 Ca 0.68 2.90 -0.36 0.00 0.18 0.00 0.00 52.55 55.95 1r3b s ASP 51 Cb -0.24 -2.66 -0.17 0.00 1.07 0.00 0.00 42.92 40.92 1r3b s ASP 51 CO 0.61 -0.79 1.56 0.25 1.18 0.00 0.00 175.17 177.99 1r3b h LEU 52 N 3.05 -1.42 -1.84 1.23 7.12 -2.00 -0.48 115.31 120.98 1r3b h LEU 52 Ca -0.50 0.12 0.37 0.00 0.13 0.00 0.00 57.88 57.99 1r3b h LEU 52 Cb 1.24 0.47 -0.07 0.00 -0.53 0.00 0.00 40.66 41.77 1r3b h LEU 52 CO 0.64 -0.67 0.89 -0.55 -0.13 0.00 0.00 178.44 178.63 1r3b h ASN 53 N -1.01 0.10 -0.03 1.25 -1.07 -2.01 0.54 115.58 113.35 1r3b h ASN 53 Ca -0.06 0.03 -0.14 0.00 0.07 0.00 0.00 56.30 56.19 1r3b h ASN 53 Cb 0.88 0.01 0.01 0.00 -2.07 0.00 0.00 38.32 37.15 1r3b h ASN 53 CO -0.08 -0.00 -0.54 -0.08 0.07 0.00 0.00 177.43 176.80 1r3b h GLU 54 N 0.08 0.41 -0.40 4.14 4.81 -1.68 -3.02 114.58 118.92 1r3b h GLU 54 Ca 0.64 -0.41 0.08 0.00 -0.13 0.00 0.00 59.36 59.54 1r3b h GLU 54 Cb 2.36 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 31.77 1r3b h GLU 54 CO -0.09 1.07 -0.11 2.35 -0.73 0.00 0.00 179.01 181.49 1r3b h TRP 55 N -0.08 -0.25 -0.11 0.92 -0.00 0.16 0.38 115.95 116.97 1r3b h TRP 55 Ca -0.06 0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1r3b h TRP 55 Cb 1.24 0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 30.53 1r3b h TRP 55 CO 0.14 -0.19 -0.11 0.82 -0.00 0.00 0.00 178.44 179.10 1r3b h ILE 56 N -0.02 0.69 -0.43 2.65 2.04 -1.39 0.58 117.51 121.62 1r3b h ILE 56 Ca 0.19 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1r3b h ILE 56 Cb 0.31 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1r3b h ILE 56 CO -0.42 0.00 0.19 0.00 0.00 0.00 0.00 178.15 177.92 1r3b h ALA 57 N 0.94 1.52 -0.22 1.87 0.00 -1.22 0.45 119.26 122.61 1r3b h ALA 57 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1r3b h ALA 57 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r3b h ALA 57 CO -0.20 0.38 0.03 0.28 0.00 0.00 0.00 179.25 179.74 1r3b h VAL 58 N 0.61 1.23 0.00 0.00 2.07 0.79 -3.10 116.25 117.84 1r3b h VAL 58 Ca 0.15 -0.77 -0.16 0.00 0.82 0.00 0.00 66.70 66.74 1r3b h VAL 58 Cb 0.09 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1r3b h VAL 58 CO -0.02 0.24 -0.77 0.78 0.02 0.00 0.00 177.57 177.83 1r3b h ASN 59 N 0.17 0.00 0.32 0.57 2.35 -0.59 -3.03 115.58 115.36 1r3b h ASN 59 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1r3b h ASN 59 Cb 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1r3b h ASN 59 CO 0.01 0.77 -0.17 0.74 -1.65 0.00 0.00 177.43 177.12 1r3b h THR 60 N 0.00 0.65 -0.52 2.81 2.02 -0.89 1.12 112.91 118.11 1r3b h THR 60 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1r3b h THR 60 Cb 1.36 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1r3b h THR 60 CO 0.10 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.76 1r3b h VAL 61 N -0.45 1.19 0.06 3.16 2.07 -1.63 0.11 116.25 120.76 1r3b h VAL 61 Ca -0.04 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1r3b h VAL 61 Cb 0.36 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1r3b h VAL 61 CO 0.06 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.30 1r3b h ASP 62 N 0.74 -0.07 0.49 0.57 5.19 -1.32 -1.07 116.42 120.95 1r3b h ASP 62 Ca 0.18 -0.44 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1r3b h ASP 62 Cb 0.17 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1r3b h ASP 62 CO -0.02 0.43 -0.24 -0.26 -3.12 0.00 0.00 179.24 176.03 1r3b h PHE 63 N -0.59 -0.62 -0.14 4.55 -1.00 0.15 0.40 116.94 119.69 1r3b h PHE 63 Ca -0.01 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.78 1r3b h PHE 63 Cb 0.51 0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 1r3b h PHE 63 CO 0.09 -0.38 0.09 0.35 -1.61 0.00 0.00 178.31 176.85 1r3b h PHE 64 N -0.66 0.07 0.02 -0.55 3.04 -0.88 0.16 116.94 118.14 1r3b h PHE 64 Ca -0.07 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 1r3b h PHE 64 Cb 0.51 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1r3b h PHE 64 CO -0.04 0.04 -0.01 -0.97 -2.02 0.00 0.00 178.31 175.31 1r3b h ASN 65 N 0.08 -0.02 -0.39 0.41 -0.73 -0.63 -2.08 115.58 112.21 1r3b h ASN 65 Ca 0.06 -0.72 -0.06 0.00 1.87 0.00 0.00 56.30 57.45 1r3b h ASN 65 Cb 0.14 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1r3b h ASN 65 CO -0.01 0.75 0.04 1.56 -0.37 0.00 0.00 177.43 179.40 1r3b h GLN 66 N -0.84 0.75 -0.25 6.67 4.20 0.05 -1.74 115.11 123.95 1r3b h GLN 66 Ca -0.00 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 1r3b h GLN 66 Cb 0.74 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1r3b h GLN 66 CO 0.00 0.73 -0.44 -0.84 -0.67 0.00 0.00 178.83 177.62 1r3b h ILE 67 N 0.71 1.30 -0.67 2.54 -0.00 -0.80 -2.75 117.51 117.85 1r3b h ILE 67 Ca 0.15 -1.64 -0.05 0.00 -0.00 0.00 0.00 64.86 63.32 1r3b h ILE 67 Cb 0.38 1.73 -0.03 0.00 -0.00 0.00 0.00 36.82 38.90 1r3b h ILE 67 CO 0.01 0.52 0.23 -1.13 -0.00 0.00 0.00 178.15 177.78 1r3b h ASN 68 N 0.46 0.93 -0.18 2.16 -0.73 -1.20 -2.31 115.58 114.72 1r3b h ASN 68 Ca 0.02 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 57.98 1r3b h ASN 68 Cb 1.04 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.37 1r3b h ASN 68 CO 0.10 0.86 -0.05 -0.03 -0.37 0.00 0.00 177.43 177.93 1r3b h MET 69 N 0.97 0.50 0.16 6.67 4.05 -1.27 -2.80 114.93 123.20 1r3b h MET 69 Ca 0.22 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1r3b h MET 69 Cb 0.25 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1r3b h MET 69 CO -0.01 0.56 -0.08 -0.07 0.23 0.00 0.00 176.91 177.55 1r3b h LEU 70 N 0.47 -0.18 -2.06 3.39 4.07 -1.12 -2.72 115.31 117.17 1r3b h LEU 70 Ca 0.10 -0.20 0.11 0.00 0.08 0.00 0.00 57.88 57.96 1r3b h LEU 70 Cb 0.39 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1r3b h LEU 70 CO 0.02 0.11 0.34 0.22 -1.08 0.00 0.00 178.44 178.05 1r3b h TYR 71 N -0.48 0.00 -0.77 1.13 5.03 -1.36 -0.88 116.97 119.65 1r3b h TYR 71 Ca -0.02 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1r3b h TYR 71 Cb 0.37 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 1r3b h TYR 71 CO 0.01 0.00 0.45 0.78 -1.32 0.00 0.00 178.16 178.08 1r3b h GLY 72 N 0.00 1.12 2.00 1.82 0.00 -1.21 0.42 103.07 107.22 1r3b h GLY 72 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1r3b h GLY 72 CO -0.00 0.46 0.00 0.00 0.00 0.00 0.00 176.54 177.00 1r3b h THR 73 N 1.06 0.00 0.00 4.70 1.03 -1.19 -3.06 112.91 115.45 1r3b h THR 73 Ca 0.27 -0.54 -0.19 0.00 -0.01 0.00 0.00 66.41 65.95 1r3b h THR 73 Cb -0.02 1.51 -0.04 0.00 -1.07 0.00 0.00 68.15 68.54 1r3b h THR 73 CO -0.05 0.00 -2.19 2.30 -0.01 0.00 0.00 175.52 175.57 1r3b n ILE 74 N -2.97 0.70 0.32 0.00 -6.64 -0.66 -4.21 119.36 105.89 1r3b n ILE 74 Ca 0.01 -0.68 0.17 0.00 -1.77 0.00 0.00 62.75 60.48 1r3b n ILE 74 Cb 0.33 -0.23 0.87 0.00 -1.44 0.00 0.00 39.64 39.16 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1r3b h THR 75 N 0.00 0.04 -0.78 7.28 1.03 -0.08 0.05 112.91 120.46 1r3b h THR 75 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 1r3b h THR 75 Cb 1.63 0.71 -0.04 0.00 -1.07 0.00 0.00 68.15 69.38 1r3b h THR 75 CO 0.02 0.00 0.49 1.05 -0.01 0.00 0.00 175.52 177.06 1r3b h GLU 76 N 0.00 1.04 -0.39 0.00 4.11 -1.73 -2.72 114.58 114.89 1r3b h GLU 76 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1r3b h GLU 76 Cb 0.60 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1r3b h GLU 76 CO -0.00 0.71 0.00 1.97 0.07 0.00 0.00 179.01 181.76 1r3b n PHE 77 N -4.51 0.85 -0.04 2.06 1.16 -0.07 -5.01 117.46 111.90 1r3b n PHE 77 Ca 0.07 -0.65 -0.05 0.00 -1.87 0.00 0.00 57.45 54.96 1r3b n PHE 77 Cb 0.04 -0.17 0.04 0.00 -1.61 0.00 0.00 39.48 37.78 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3b s THR 79 N -1.14 0.22 0.00 0.00 2.01 -1.26 -5.06 115.64 110.41 1r3b s THR 79 Ca 0.10 -1.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1r3b s THR 79 Cb -0.02 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1r3b s THR 79 CO 0.08 -0.62 1.02 -0.33 -0.69 0.00 0.00 174.62 174.09 1r3b h GLU 80 N 4.20 -0.04 0.25 4.92 5.08 -2.00 -3.37 114.58 123.62 1r3b h GLU 80 Ca -0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1r3b h GLU 80 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r3b h GLU 80 CO 0.48 -0.03 -0.12 1.03 -1.00 0.00 0.00 179.01 179.37 1r3b h SER 81 N -0.04 -0.29 0.00 1.42 0.87 -1.98 -3.39 113.55 110.14 1r3b h SER 81 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1r3b h SER 81 Cb 0.04 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1r3b h SER 81 CO 0.00 0.07 0.00 0.41 -0.53 0.00 0.00 176.83 176.78 1r3b n THR 82 N -4.42 0.00 -2.21 2.23 -1.04 -1.26 -1.82 114.28 105.76 1r3b n THR 82 Ca -0.04 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.92 1r3b n THR 82 Cb 0.13 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r3b n SER 84 N -0.52 -5.15 0.00 0.00 7.64 -0.76 -4.36 113.62 110.48 1r3b n SER 84 Ca -0.23 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1r3b n SER 84 Cb 0.74 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 1r3b n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1r3b n VAL 85 N -2.38 0.00 -3.83 0.44 0.31 -1.25 -4.38 118.33 107.24 1r3b n VAL 85 Ca -0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.96 1r3b n VAL 85 Cb 0.47 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.24 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1r3b s MET 86 N 0.00 1.10 -0.10 5.55 1.75 -1.26 -4.95 119.30 121.39 1r3b s MET 86 Ca 0.00 -0.52 -0.05 0.00 -1.25 0.00 0.00 55.69 53.87 1r3b s MET 86 Cb 0.00 -2.07 0.04 0.00 2.84 0.00 0.00 34.83 35.64 1r3b s MET 86 CO 0.00 -0.53 0.22 -1.12 -0.65 0.00 0.00 175.02 172.94 1r3b s SER 87 N 1.70 -0.23 -0.31 1.11 0.01 -1.26 -4.76 113.70 109.96 1r3b s SER 87 Ca -0.01 0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.77 1r3b s SER 87 Cb -0.16 0.37 0.18 0.00 0.21 0.00 0.00 66.02 66.62 1r3b s SER 87 CO -0.07 -0.15 0.52 0.00 0.41 0.00 0.00 173.24 173.95 1r3b s ALA 88 N 1.10 -1.90 0.00 1.44 0.00 -1.25 -5.09 121.76 116.05 1r3b s ALA 88 Ca -0.08 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1r3b s ALA 88 Cb -0.09 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1r3b s ALA 88 CO -0.07 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1r3b n GLY 89 N 5.21 -1.44 0.25 0.00 0.00 -1.26 -4.27 105.19 103.68 1r3b n GLY 89 Ca 0.05 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 1r3b n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b h PRO 90 N 0.82 0.88 -1.27 1.61 0.13 -2.06 -3.43 132.00 128.69 1r3b h PRO 90 Ca 0.00 -0.55 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 1r3b h PRO 90 Cb 0.00 0.06 -0.23 0.00 0.13 0.00 0.00 31.00 30.96 1r3b h PRO 90 CO 0.00 1.19 -0.46 0.50 -0.23 0.00 0.00 178.00 179.00 1r3b s ARG 91 N -4.15 0.57 -0.28 0.86 3.52 -1.26 -5.14 118.95 113.07 1r3b s ARG 91 Ca -0.11 0.17 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 1r3b s ARG 91 Cb 0.10 -0.01 0.09 0.00 -1.56 0.00 0.00 34.95 33.57 1r3b s ARG 91 CO 0.89 -1.08 0.69 0.71 -0.81 0.00 0.00 175.30 175.69 1r3b s TYR 92 N 2.45 -1.10 0.05 5.12 2.02 -1.26 -5.06 117.35 119.57 1r3b s TYR 92 Ca 0.12 2.15 -0.27 0.00 -0.37 0.00 0.00 57.07 58.70 1r3b s TYR 92 Cb -0.10 0.66 0.07 0.00 -0.40 0.00 0.00 41.96 42.19 1r3b s TYR 92 CO -0.22 -0.55 0.64 -1.83 -1.57 0.00 0.00 175.55 172.03 1r3b s GLU 93 N 1.81 1.16 -0.17 -0.62 -1.05 -1.26 -3.79 118.70 114.77 1r3b s GLU 93 Ca -0.09 -0.09 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 1r3b s GLU 93 Cb -0.06 0.54 0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1r3b s GLU 93 CO -0.20 -0.44 -0.15 0.71 0.95 0.00 0.00 175.26 176.13 1r3b s TYR 94 N -2.42 2.45 0.40 4.83 1.51 -1.26 -5.12 117.35 117.74 1r3b s TYR 94 Ca -0.05 -1.46 0.04 0.00 -1.01 0.00 0.00 57.07 54.58 1r3b s TYR 94 Cb -0.00 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1r3b s TYR 94 CO -0.01 -0.74 0.15 -3.38 -1.11 0.00 0.00 175.55 170.46 1r3b s HIS 95 N 1.39 1.78 -0.23 2.71 -3.43 -1.26 -5.02 115.29 111.24 1r3b s HIS 95 Ca 0.03 -1.33 -0.09 0.00 -0.80 0.00 0.00 55.06 52.87 1r3b s HIS 95 Cb -0.14 -1.11 -0.05 0.00 -1.43 0.00 0.00 32.58 29.86 1r3b s HIS 95 CO -0.11 -0.36 0.13 -0.46 -2.00 0.00 0.00 174.74 171.94 1r3b s TRP 96 N -3.23 3.28 0.29 0.38 -0.00 -1.26 -4.99 118.94 113.41 1r3b s TRP 96 Ca 0.25 0.13 0.00 0.00 -0.00 0.00 0.00 56.10 56.48 1r3b s TRP 96 Cb 0.02 -2.22 0.00 0.00 -0.00 0.00 0.00 33.47 31.27 1r3b s TRP 96 CO 0.16 0.05 0.00 0.00 -0.00 0.00 0.00 176.95 177.16 1r3b n ALA 97 N 4.16 -3.49 0.00 5.86 0.00 -1.26 -5.01 120.51 120.77 1r3b n ALA 97 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1r3b n ALA 97 Cb 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1r3b n ALA 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r3b n ASP 98 N -4.33 0.00 -3.46 0.00 5.75 -1.26 -5.12 116.55 108.13 1r3b n ASP 98 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1r3b n ASP 98 Cb 0.64 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.75 1r3b n ASP 98 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1r3b s GLY 99 N -0.91 0.04 0.00 6.12 0.00 -1.26 -4.78 107.32 106.53 1r3b s GLY 99 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1r3b s GLY 99 CO 0.00 2.64 0.00 2.41 0.00 0.00 0.00 173.10 178.15 1r3b n THR 100 N -0.71 0.00 -1.39 0.90 -1.04 -1.26 -3.84 114.28 106.94 1r3b n THR 100 Ca -0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.88 1r3b n THR 100 Cb 0.59 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.30 1r3b n THR 100 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1r3b n ASN 101 N 2.29 2.84 -0.00 8.00 4.13 -1.26 -4.41 115.26 126.85 1r3b n ASN 101 Ca 0.00 -3.74 0.03 0.00 1.68 0.00 0.00 54.58 52.55 1r3b n ASN 101 Cb 0.00 -0.70 -0.04 0.00 -1.54 0.00 0.00 39.78 37.50 1r3b n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r3b n ILE 102 N -1.13 0.00 0.00 2.41 0.13 -1.25 -4.98 119.36 114.54 1r3b n ILE 102 Ca 0.41 -0.18 0.00 0.00 -1.10 0.00 0.00 62.75 61.88 1r3b n ILE 102 Cb 1.23 0.49 0.00 0.00 -0.84 0.00 0.00 39.64 40.52 1r3b n ILE 102 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1r3b n LYS 103 N -1.59 0.00 -3.65 9.51 5.02 -1.26 -4.61 118.16 121.59 1r3b n LYS 103 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1r3b n LYS 103 Cb 0.14 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.04 1r3b n LYS 103 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1r3b s LYS 104 N 0.00 2.62 0.55 1.97 0.00 -1.26 -5.01 119.74 118.60 1r3b s LYS 104 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 55.97 54.44 1r3b s LYS 104 Cb 0.00 -3.68 -0.06 0.00 0.00 0.00 0.00 37.83 34.09 1r3b s LYS 104 CO 0.00 -0.84 1.11 -1.25 0.00 0.00 0.00 175.35 174.37 1r3b s PRO 105 N 1.43 3.39 -0.10 1.78 0.04 -1.26 -5.06 135.00 135.21 1r3b s PRO 105 Ca 0.02 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 1r3b s PRO 105 Cb -0.21 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.35 1r3b s PRO 105 CO 0.03 -0.81 0.48 -1.50 0.04 0.00 0.00 177.00 175.25 1r3b s ILE 106 N -1.89 0.02 0.49 0.56 2.07 -1.26 -5.15 121.20 116.04 1r3b s ILE 106 Ca 0.71 -0.15 -0.22 0.00 -1.41 0.00 0.00 60.65 59.58 1r3b s ILE 106 Cb -0.22 -0.75 -0.07 0.00 0.13 0.00 0.00 42.46 41.56 1r3b s ILE 106 CO 0.27 -0.08 1.17 -0.75 -1.91 0.00 0.00 174.94 173.64 1r3b s LYS 107 N -0.58 3.57 -0.27 3.50 2.47 -1.26 -5.02 119.74 122.16 1r3b s LYS 107 Ca -0.07 1.77 -0.07 0.00 -1.56 0.00 0.00 55.97 56.04 1r3b s LYS 107 Cb -0.03 -2.27 -0.01 0.00 -1.46 0.00 0.00 37.83 34.06 1r3b s LYS 107 CO 0.04 -0.71 0.06 0.00 0.16 0.00 0.00 175.35 174.90 1r3b n SER 109 N 4.88 0.82 0.26 0.00 2.88 -1.26 -4.90 113.62 116.30 1r3b n SER 109 Ca -0.16 -0.64 -0.11 0.00 -1.33 0.00 0.00 58.87 56.64 1r3b n SER 109 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r3b h ALA 110 N 0.39 -0.84 -0.08 -1.46 0.00 -1.93 -0.19 119.26 115.15 1r3b h ALA 110 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1r3b h ALA 110 Cb 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r3b h ALA 110 CO 0.00 -0.78 0.07 -1.00 0.00 0.00 0.00 179.25 177.54 1r3b h PRO 111 N -0.99 0.00 0.02 0.00 0.13 -1.94 -2.12 132.00 127.11 1r3b h PRO 111 Ca -0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.90 1r3b h PRO 111 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1r3b h PRO 111 CO 0.12 0.00 -0.63 -0.22 -0.23 0.00 0.00 178.00 177.04 1r3b h LYS 112 N 0.00 0.40 -0.36 0.86 3.64 -1.95 -2.78 116.57 116.38 1r3b h LYS 112 Ca 0.04 -0.45 0.06 0.00 -1.27 0.00 0.00 60.65 59.03 1r3b h LYS 112 Cb 0.18 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1r3b h LYS 112 CO -0.00 1.12 0.03 -0.92 -2.27 0.00 0.00 179.45 177.42 1r3b h TYR 113 N -0.14 0.04 0.53 1.91 3.20 -0.36 0.80 116.97 122.96 1r3b h TYR 113 Ca -0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1r3b h TYR 113 Cb 1.36 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1r3b h TYR 113 CO 0.15 -0.03 -0.26 0.82 -1.64 0.00 0.00 178.16 177.20 1r3b h ILE 114 N 0.14 0.46 -0.90 1.81 2.04 -1.57 0.21 117.51 119.71 1r3b h ILE 114 Ca 0.17 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.12 1r3b h ILE 114 Cb 0.22 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1r3b h ILE 114 CO -0.26 0.00 0.54 -0.78 0.00 0.00 0.00 178.15 177.65 1r3b h ASP 115 N -0.73 0.81 0.55 1.72 1.82 -1.18 0.26 116.42 119.67 1r3b h ASP 115 Ca -0.07 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1r3b h ASP 115 Cb 0.56 -0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.45 1r3b h ASP 115 CO 0.11 0.47 -0.26 1.88 -1.61 0.00 0.00 179.24 179.83 1r3b h TYR 116 N 0.92 -0.68 -0.85 0.28 -1.99 0.10 0.89 116.97 115.64 1r3b h TYR 116 Ca 0.42 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.16 1r3b h TYR 116 Cb 0.33 0.23 -0.05 0.00 2.00 0.00 0.00 36.73 39.24 1r3b h TYR 116 CO -0.03 -0.42 0.56 1.25 -0.00 0.00 0.00 178.16 179.52 1r3b h LEU 117 N -0.75 0.94 -0.09 3.88 5.85 -0.05 0.38 115.31 125.48 1r3b h LEU 117 Ca -0.08 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.43 1r3b h LEU 117 Cb 0.57 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1r3b h LEU 117 CO 0.12 0.66 -0.94 0.24 -0.34 0.00 0.00 178.44 178.19 1r3b h MET 118 N 1.10 0.00 0.00 1.25 2.86 -0.28 -3.14 114.93 116.72 1r3b h MET 118 Ca 0.32 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 1r3b h MET 118 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1r3b h MET 118 CO -0.08 0.94 -0.46 1.15 1.06 0.00 0.00 176.91 179.52 1r3b h THR 119 N 0.00 0.23 -0.97 2.22 2.02 0.13 -3.14 112.91 113.40 1r3b h THR 119 Ca -0.01 -1.24 0.11 0.00 0.77 0.00 0.00 66.41 66.04 1r3b h THR 119 Cb 1.68 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 68.51 1r3b h THR 119 CO 0.12 0.08 0.60 -0.25 0.37 0.00 0.00 175.52 176.44 1r3b h TRP 120 N -1.00 1.10 -0.01 3.16 7.01 -0.44 0.32 115.95 126.09 1r3b h TRP 120 Ca -0.05 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.84 1r3b h TRP 120 Cb 0.52 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 1r3b h TRP 120 CO -0.09 0.46 -0.68 0.28 -2.79 0.00 0.00 178.44 175.62 1r3b h VAL 121 N 0.99 1.46 0.01 2.65 2.07 -1.68 -3.17 116.25 118.59 1r3b h VAL 121 Ca 0.47 -2.27 -0.22 0.00 0.82 0.00 0.00 66.70 65.50 1r3b h VAL 121 Cb 0.41 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1r3b h VAL 121 CO -0.25 0.65 -0.94 -0.61 0.02 0.00 0.00 177.57 176.44 1r3b h GLN 122 N 0.04 0.33 -0.60 1.57 4.15 -1.09 -3.27 115.11 116.25 1r3b h GLN 122 Ca -0.01 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.03 1r3b h GLN 122 Cb 1.20 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 1r3b h GLN 122 CO 0.09 1.06 0.33 0.22 -1.93 0.00 0.00 178.83 178.61 1r3b h ASP 123 N 0.18 0.74 -0.66 -0.69 3.58 -0.42 -2.87 116.42 116.28 1r3b h ASP 123 Ca -0.07 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.30 1r3b h ASP 123 Cb 1.59 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.41 1r3b h ASP 123 CO 0.16 0.62 0.43 1.56 -2.88 0.00 0.00 179.24 179.13 1r3b h GLN 124 N 0.81 0.86 -0.00 0.28 4.20 -1.62 1.27 115.11 120.91 1r3b h GLN 124 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1r3b h GLN 124 Cb 0.04 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1r3b h GLN 124 CO -0.03 0.57 0.01 -0.07 -0.67 0.00 0.00 178.83 178.63 1r3b h LEU 125 N 0.89 0.00 -2.99 1.46 3.38 -1.56 -0.48 115.31 116.01 1r3b h LEU 125 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1r3b h LEU 125 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1r3b h LEU 125 CO -0.05 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.81 1r3b n ASP 126 N -3.25 2.23 -3.84 -0.43 2.03 -0.00 -4.88 116.55 108.41 1r3b n ASP 126 Ca -0.03 -2.12 -0.30 0.00 0.52 0.00 0.00 54.79 52.86 1r3b n ASP 126 Cb 0.08 -0.09 -0.14 0.00 -0.72 0.00 0.00 41.12 40.25 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1r3b s ASP 127 N -1.19 4.02 1.39 1.67 1.11 0.42 -5.02 116.67 119.06 1r3b s ASP 127 Ca 0.08 -2.76 -0.21 0.00 0.18 0.00 0.00 52.55 49.84 1r3b s ASP 127 Cb 0.05 -1.34 0.36 0.00 1.07 0.00 0.00 42.92 43.06 1r3b s ASP 127 CO 0.03 -0.26 0.90 -1.84 1.18 0.00 0.00 175.17 175.19 1r3b n GLU 128 N 3.41 -4.14 -0.17 8.23 0.00 -1.26 -3.76 120.64 122.96 1r3b n GLU 128 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 57.16 56.01 1r3b n GLU 128 Cb 0.34 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 29.79 1r3b n GLU 128 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1r3b n THR 129 N -5.58 0.00 -0.01 3.84 5.66 -1.26 -4.67 114.28 112.26 1r3b n THR 129 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1r3b n THR 129 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r3b n LEU 130 N 0.00 0.01 -4.58 1.09 -0.00 -1.25 -5.05 117.00 107.22 1r3b n LEU 130 Ca 0.00 -0.28 -0.34 0.00 -0.00 0.00 0.00 56.01 55.39 1r3b n LEU 130 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1r3b n LEU 130 CO 0.00 0.00 -0.34 0.12 -0.00 0.00 0.00 177.39 177.17 1r3b s PHE 131 N -0.55 3.05 0.07 1.47 2.19 -1.26 -5.06 117.98 117.89 1r3b s PHE 131 Ca 0.00 -0.05 -0.31 0.00 0.33 0.00 0.00 56.93 56.90 1r3b s PHE 131 Cb 0.00 -1.84 -0.09 0.00 -1.31 0.00 0.00 43.02 39.78 1r3b s PHE 131 CO 0.00 0.22 1.81 -1.25 1.83 0.00 0.00 175.22 177.83 1r3b s PRO 132 N -0.33 4.16 0.04 10.12 0.04 -1.26 -4.60 135.00 143.16 1r3b s PRO 132 Ca 0.06 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1r3b s PRO 132 Cb -0.12 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1r3b s PRO 132 CO 0.02 -0.85 0.00 0.43 0.04 0.00 0.00 177.00 176.65 1r3b n SER 133 N 6.27 -0.34 -4.95 6.66 7.64 -1.26 -5.00 113.62 122.65 1r3b n SER 133 Ca 0.18 0.09 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 1r3b n SER 133 Cb 0.40 0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 64.21 1r3b n SER 133 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1r3b s LYS 134 N -2.00 2.95 0.42 1.43 2.20 -1.26 -5.07 119.74 118.41 1r3b s LYS 134 Ca 0.00 -1.14 -0.26 0.00 -0.36 0.00 0.00 55.97 54.21 1r3b s LYS 134 Cb 0.00 -2.70 -0.10 0.00 -1.51 0.00 0.00 37.83 33.52 1r3b s LYS 134 CO 0.00 0.01 1.38 -0.89 -0.36 0.00 0.00 175.35 175.49 1r3b n ILE 135 N -1.59 2.54 0.00 5.43 5.41 -1.26 -3.67 119.36 126.22 1r3b n ILE 135 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1r3b n ILE 135 Cb 0.59 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 1r3b n ILE 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r3b n GLY 136 N 0.65 2.36 3.77 7.39 0.00 -1.26 -5.06 105.19 113.05 1r3b n GLY 136 Ca 0.05 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1r3b n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3b s VAL 137 N 0.00 2.09 -0.17 1.61 0.11 -1.24 -4.92 120.40 117.88 1r3b s VAL 137 Ca 0.00 0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1r3b s VAL 137 Cb 0.00 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.77 1r3b s VAL 137 CO 0.00 0.02 1.49 -2.16 -3.33 0.00 0.00 175.10 171.12 1r3b s PRO 138 N -2.21 4.03 -0.21 1.54 0.04 -1.26 -4.84 135.00 132.09 1r3b s PRO 138 Ca 0.56 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 1r3b s PRO 138 Cb -0.45 -3.93 -0.16 0.00 0.04 0.00 0.00 34.50 30.00 1r3b s PRO 138 CO 0.60 -1.00 0.09 0.34 0.04 0.00 0.00 177.00 177.08 1r3b n PHE 139 N 7.50 0.87 -0.23 0.56 -0.00 -1.26 -3.56 117.46 121.35 1r3b n PHE 139 Ca 0.17 0.38 -0.11 0.00 -0.00 0.00 0.00 57.45 57.88 1r3b n PHE 139 Cb 0.45 -1.04 0.05 0.00 -0.00 0.00 0.00 39.48 38.94 1r3b n PHE 139 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1r3b n PRO 140 N -4.43 1.55 0.00 -7.13 -0.04 -1.26 -3.52 135.00 120.17 1r3b n PRO 140 Ca -0.32 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1r3b n PRO 140 Cb 0.66 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1r3b n PRO 140 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r3b n LYS 141 N 0.13 0.00 -0.20 0.54 4.01 -1.26 -4.85 118.16 116.53 1r3b n LYS 141 Ca 0.24 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 58.02 1r3b n LYS 141 Cb 0.81 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 35.53 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 1r3b h ASN 142 N 0.00 0.87 -0.77 4.39 -1.24 -1.78 -2.27 115.58 114.78 1r3b h ASN 142 Ca 0.00 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 1r3b h ASN 142 Cb 0.00 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.79 1r3b h ASN 142 CO 0.00 0.71 0.37 0.15 -1.29 0.00 0.00 177.43 177.37 1r3b h PHE 143 N 0.98 1.11 0.12 0.67 3.57 -1.61 0.38 116.94 122.16 1r3b h PHE 143 Ca 0.25 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1r3b h PHE 143 Cb 0.04 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1r3b h PHE 143 CO 0.01 0.81 -0.06 1.98 -2.23 0.00 0.00 178.31 178.82 1r3b h MET 144 N 1.11 -0.15 -0.29 1.11 4.05 -1.57 1.03 114.93 120.21 1r3b h MET 144 Ca 0.27 0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.57 1r3b h MET 144 Cb 0.12 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1r3b h MET 144 CO -0.03 0.06 -0.36 1.03 0.23 0.00 0.00 176.91 177.83 1r3b h SER 145 N -0.34 0.69 0.43 1.39 0.87 -1.34 -2.14 113.55 113.11 1r3b h SER 145 Ca -0.02 -0.29 -0.20 0.00 -1.23 0.00 0.00 61.79 60.05 1r3b h SER 145 Cb 0.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1r3b h SER 145 CO 0.03 0.99 -0.83 0.58 -0.53 0.00 0.00 176.83 177.06 1r3b h VAL 146 N 0.55 1.44 -0.08 2.23 2.07 -0.16 -2.78 116.25 119.52 1r3b h VAL 146 Ca 0.05 -2.41 -0.13 0.00 0.82 0.00 0.00 66.70 65.03 1r3b h VAL 146 Cb 0.88 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1r3b h VAL 146 CO 0.08 0.71 -0.55 0.00 0.02 0.00 0.00 177.57 177.82 1r3b h ALA 147 N 0.93 0.93 -0.02 1.67 0.00 0.12 -1.93 119.26 120.96 1r3b h ALA 147 Ca -0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 1r3b h ALA 147 Cb 1.44 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.16 1r3b h ALA 147 CO 0.13 0.69 -0.82 -0.22 0.00 0.00 0.00 179.25 179.04 1r3b h LYS 148 N 0.17 0.59 0.00 0.00 3.11 -1.40 -2.32 116.57 116.72 1r3b h LYS 148 Ca 0.00 -0.61 -0.08 0.00 -2.81 0.00 0.00 60.65 57.15 1r3b h LYS 148 Cb 1.03 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1r3b h LYS 148 CO 0.08 1.22 -0.40 0.00 -2.81 0.00 0.00 179.45 177.54 1r3b h THR 149 N 0.19 1.18 0.06 1.00 1.03 -1.50 -1.97 112.91 112.91 1r3b h THR 149 Ca -0.10 -1.43 -0.00 0.00 -0.01 0.00 0.00 66.41 64.87 1r3b h THR 149 Cb 1.50 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 1r3b h THR 149 CO 0.16 0.39 -0.03 -0.29 -0.01 0.00 0.00 175.52 175.75 1r3b h ILE 150 N 0.00 1.15 -0.76 0.00 2.10 -1.37 -2.84 117.51 115.79 1r3b h ILE 150 Ca -0.00 -1.59 -0.01 0.00 1.08 0.00 0.00 64.86 64.34 1r3b h ILE 150 Cb 0.76 2.06 -0.04 0.00 -1.09 0.00 0.00 36.82 38.51 1r3b h ILE 150 CO 0.05 0.35 0.44 -0.07 -1.08 0.00 0.00 178.15 177.84 1r3b h LEU 151 N -0.89 0.93 -1.23 2.19 3.38 -1.45 -0.97 115.31 117.26 1r3b h LEU 151 Ca -0.01 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1r3b h LEU 151 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1r3b h LEU 151 CO 0.01 0.74 -0.18 0.11 0.09 0.00 0.00 178.44 179.21 1r3b h LYS 152 N 1.05 0.30 0.08 1.13 1.57 -1.48 -1.24 116.57 117.98 1r3b h LYS 152 Ca 0.27 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1r3b h LYS 152 Cb -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1r3b h LYS 152 CO -0.05 0.48 -0.04 0.00 -0.57 0.00 0.00 179.45 179.28 1r3b h ARG 153 N 0.28 -0.10 0.03 3.15 3.08 -1.17 -2.56 114.38 117.09 1r3b h ARG 153 Ca 0.05 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1r3b h ARG 153 Cb 0.49 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1r3b h ARG 153 CO 0.03 0.45 -0.02 1.37 -1.07 0.00 0.00 179.97 180.74 1r3b h LEU 154 N -0.86 -0.04 -0.61 3.04 8.10 -1.20 -3.11 115.31 120.63 1r3b h LEU 154 Ca -0.01 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1r3b h LEU 154 Cb 0.60 0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.80 1r3b h LEU 154 CO 0.02 0.11 0.38 0.15 -4.11 0.00 0.00 178.44 174.99 1r3b h PHE 155 N -0.18 0.79 -0.77 0.17 3.57 -1.38 -2.36 116.94 116.77 1r3b h PHE 155 Ca -0.00 0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.73 1r3b h PHE 155 Cb 0.16 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1r3b h PHE 155 CO -0.03 0.52 0.60 -0.09 -2.23 0.00 0.00 178.31 177.08 1r3b h ARG 156 N 0.82 0.00 -0.51 1.11 2.43 -1.39 -1.11 114.38 115.74 1r3b h ARG 156 Ca 0.22 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 1r3b h ARG 156 Cb -0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 1r3b h ARG 156 CO -0.04 0.00 0.23 0.28 -1.51 0.00 0.00 179.97 178.93 1r3b h VAL 157 N 0.00 0.90 -0.39 0.20 2.07 -1.38 -2.41 116.25 115.22 1r3b h VAL 157 Ca 0.37 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.80 1r3b h VAL 157 Cb 1.57 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1r3b h VAL 157 CO -0.00 0.08 0.08 1.88 0.02 0.00 0.00 177.57 179.62 1r3b h TYR 158 N 0.44 0.13 -0.71 1.57 -1.99 -1.35 -0.33 116.97 114.72 1r3b h TYR 158 Ca 0.24 0.02 0.13 0.00 2.00 0.00 0.00 58.73 61.12 1r3b h TYR 158 Cb 0.20 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.84 1r3b h TYR 158 CO -0.13 0.01 0.26 0.00 -0.00 0.00 0.00 178.16 178.31 1r3b h ALA 159 N 1.30 0.97 0.26 3.88 0.00 -1.51 0.91 119.26 125.07 1r3b h ALA 159 Ca 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1r3b h ALA 159 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1r3b h ALA 159 CO -0.25 -0.23 -0.12 0.45 0.00 0.00 0.00 179.25 179.10 1r3b h HIS 160 N 0.40 -0.32 -0.84 0.00 3.86 -1.20 -3.16 115.15 113.89 1r3b h HIS 160 Ca 0.39 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.56 1r3b h HIS 160 Cb 0.58 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 1r3b h HIS 160 CO -0.18 0.02 0.41 -0.84 0.86 0.00 0.00 177.93 178.20 1r3b h ILE 161 N -0.94 1.26 0.20 2.45 -0.00 -0.86 0.64 117.51 120.26 1r3b h ILE 161 Ca -0.04 -0.71 0.01 0.00 -0.00 0.00 0.00 64.86 64.12 1r3b h ILE 161 Cb 0.49 0.18 -0.03 0.00 -0.00 0.00 0.00 36.82 37.46 1r3b h ILE 161 CO 0.06 0.31 -0.27 0.22 -0.00 0.00 0.00 178.15 178.47 1r3b h TYR 162 N 1.19 -0.72 0.00 0.16 5.03 0.74 1.00 116.97 124.37 1r3b h TYR 162 Ca 0.29 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1r3b h TYR 162 Cb 0.11 0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1r3b h TYR 162 CO 0.01 -0.38 0.00 0.45 -1.32 0.00 0.00 178.16 176.92 1r3b h HIS 163 N -0.53 0.00 0.00 -3.82 3.86 -1.50 -3.09 115.15 110.07 1r3b h HIS 163 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1r3b h HIS 163 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1r3b h HIS 163 CO -0.21 0.00 -0.24 1.96 0.86 0.00 0.00 177.93 180.31 1r3b h GLN 164 N 0.00 0.00 -2.48 2.45 1.08 0.24 -3.41 115.11 112.98 1r3b h GLN 164 Ca 0.00 0.00 -0.77 0.00 -1.45 0.00 0.00 58.65 56.43 1r3b h GLN 164 Cb 0.56 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 27.69 1r3b h GLN 164 CO 0.00 0.00 0.62 0.72 -0.95 0.00 0.00 178.83 179.22 1r3b n HIS 165 N -3.90 2.80 0.27 2.96 -0.00 0.33 -4.81 115.22 112.88 1r3b n HIS 165 Ca -0.03 -2.86 -0.11 0.00 -0.00 0.00 0.00 57.72 54.71 1r3b n HIS 165 Cb 0.12 -1.08 -0.05 0.00 -0.00 0.00 0.00 29.99 28.98 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1r3b h PHE 166 N 4.50 -0.69 -0.89 4.41 3.04 -1.70 -3.11 116.94 122.50 1r3b h PHE 166 Ca 0.34 -0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.40 1r3b h PHE 166 Cb 0.47 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 39.14 1r3b h PHE 166 CO 1.12 -0.43 0.57 0.22 -2.02 0.00 0.00 178.31 177.77 1r3b h ASP 167 N -1.17 0.74 -0.54 0.41 1.82 -1.90 0.36 116.42 116.15 1r3b h ASP 167 Ca -0.08 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.71 1r3b h ASP 167 Cb 0.57 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 1r3b h ASP 167 CO 0.12 0.41 0.37 0.00 -1.61 0.00 0.00 179.24 178.53 1r3b h ALA 168 N 1.58 2.22 0.08 -0.78 0.00 -1.93 -0.80 119.26 119.63 1r3b h ALA 168 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1r3b h ALA 168 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1r3b h ALA 168 CO -0.19 -0.36 -0.10 0.28 0.00 0.00 0.00 179.25 178.88 1r3b h VAL 169 N 0.21 0.77 0.00 0.00 2.07 -0.84 -2.32 116.25 116.14 1r3b h VAL 169 Ca 0.25 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.70 1r3b h VAL 169 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1r3b h VAL 169 CO -0.05 0.00 -0.33 0.24 0.02 0.00 0.00 177.57 177.45 1r3b h MET 170 N -0.21 0.00 -0.67 1.57 2.86 -1.43 -3.17 114.93 113.88 1r3b h MET 170 Ca 0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1r3b h MET 170 Cb 0.21 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1r3b h MET 170 CO -0.04 0.33 0.35 0.37 1.06 0.00 0.00 176.91 178.98 1r3b h GLN 171 N 0.00 0.61 0.00 1.72 4.15 -0.61 1.00 115.11 121.98 1r3b h GLN 171 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1r3b h GLN 171 Cb 0.86 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1r3b h GLN 171 CO 0.04 0.41 0.00 1.47 -1.93 0.00 0.00 178.83 178.82 1r3b n LEU 172 N -4.83 0.00 -2.54 -2.39 -0.00 -1.11 -4.89 117.00 101.24 1r3b n LEU 172 Ca 0.09 0.48 -0.11 0.00 -0.00 0.00 0.00 56.01 56.47 1r3b n LEU 172 Cb 0.21 -0.48 0.06 0.00 -0.00 0.00 0.00 43.42 43.20 1r3b n LEU 172 CO 0.27 -0.20 0.07 1.67 -0.00 0.00 0.00 177.39 179.19 1r3b n GLN 173 N -1.48 -3.97 -2.67 1.47 7.27 0.35 -4.99 117.38 113.36 1r3b n GLN 173 Ca 0.04 0.54 -0.04 0.00 0.07 0.00 0.00 57.00 57.61 1r3b n GLN 173 Cb 0.19 -4.60 0.05 0.00 2.41 0.00 0.00 30.24 28.30 1r3b n GLN 173 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1r3b n GLU 174 N -2.94 0.11 0.18 3.69 1.02 -1.25 -5.02 120.64 116.43 1r3b n GLU 174 Ca -0.17 -0.75 0.07 0.00 -0.02 0.00 0.00 57.16 56.29 1r3b n GLU 174 Cb 0.60 -0.03 0.10 0.00 -0.02 0.00 0.00 31.44 32.09 1r3b n GLU 174 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1r3b h GLU 175 N 3.73 0.00 -0.75 3.49 3.07 -1.92 -3.27 114.58 118.93 1r3b h GLU 175 Ca -0.11 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 58.97 1r3b h GLU 175 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 1r3b h GLU 175 CO -0.14 0.28 0.60 0.00 -1.40 0.00 0.00 179.01 178.35 1r3b h ALA 176 N 1.72 2.64 -0.98 3.43 0.00 -1.95 0.92 119.26 125.03 1r3b h ALA 176 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r3b h ALA 176 Cb 1.21 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1r3b h ALA 176 CO 0.04 -0.98 0.64 0.45 0.00 0.00 0.00 179.25 179.39 1r3b h HIS 177 N 0.00 1.19 0.24 0.00 3.86 -1.99 0.37 115.15 118.81 1r3b h HIS 177 Ca 0.36 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 1r3b h HIS 177 Cb 1.55 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1r3b h HIS 177 CO 0.00 0.65 -0.12 -0.07 0.86 0.00 0.00 177.93 179.25 1r3b h LEU 178 N 1.19 -0.27 -0.99 2.43 3.38 -1.06 -1.98 115.31 118.01 1r3b h LEU 178 Ca 0.41 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1r3b h LEU 178 Cb 0.10 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1r3b h LEU 178 CO -0.15 0.02 0.35 -1.13 0.09 0.00 0.00 178.44 177.63 1r3b h ASN 179 N -0.58 0.97 0.02 -0.43 -0.73 -1.49 -0.18 115.58 113.15 1r3b h ASN 179 Ca -0.03 -0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.03 1r3b h ASN 179 Cb 0.42 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1r3b h ASN 179 CO 0.05 0.83 -0.06 0.74 -0.37 0.00 0.00 177.43 178.63 1r3b h THR 180 N 1.06 0.86 -0.45 -3.57 2.02 -0.21 0.70 112.91 113.32 1r3b h THR 180 Ca 0.26 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.33 1r3b h THR 180 Cb 0.12 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1r3b h THR 180 CO -0.03 0.00 -0.14 0.28 0.37 0.00 0.00 175.52 175.99 1r3b h SER 181 N -0.11 0.84 -0.09 4.18 0.02 -1.16 -2.90 113.55 114.34 1r3b h SER 181 Ca 0.02 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 1r3b h SER 181 Cb 0.13 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1r3b h SER 181 CO -0.05 0.99 -0.40 -0.26 -1.14 0.00 0.00 176.83 175.97 1r3b h PHE 182 N 0.75 0.73 -0.24 3.45 0.04 -0.70 -2.80 116.94 118.16 1r3b h PHE 182 Ca 0.12 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1r3b h PHE 182 Cb 0.65 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1r3b h PHE 182 CO 0.04 0.92 0.14 -0.22 -0.60 0.00 0.00 178.31 178.59 1r3b h LYS 183 N 0.50 0.31 -0.12 1.51 3.64 0.60 -1.75 116.57 121.26 1r3b h LYS 183 Ca 0.04 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 1r3b h LYS 183 Cb 0.91 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1r3b h LYS 183 CO 0.08 0.22 -0.80 1.25 -2.27 0.00 0.00 179.45 177.93 1r3b h HIS 184 N 0.32 0.97 0.00 1.91 2.76 -1.34 0.54 115.15 120.31 1r3b h HIS 184 Ca 0.09 -0.44 -0.03 0.00 -2.20 0.00 0.00 60.37 57.79 1r3b h HIS 184 Cb -0.02 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 1r3b h HIS 184 CO 0.00 1.26 -0.12 0.74 -1.30 0.00 0.00 177.93 178.51 1r3b h PHE 185 N 0.48 0.00 0.04 5.26 0.04 -1.10 0.13 116.94 121.79 1r3b h PHE 185 Ca -0.06 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.47 1r3b h PHE 185 Cb 1.42 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.55 1r3b h PHE 185 CO 0.08 0.12 -1.33 0.82 -0.60 0.00 0.00 178.31 177.40 1r3b h ILE 186 N 0.00 0.94 -0.94 -0.55 5.03 -1.29 -3.18 117.51 117.51 1r3b h ILE 186 Ca -0.00 -2.25 -0.01 0.00 -0.12 0.00 0.00 64.86 62.48 1r3b h ILE 186 Cb 0.24 2.43 -0.05 0.00 -3.03 0.00 0.00 36.82 36.42 1r3b h ILE 186 CO 0.02 0.50 0.56 -0.26 -0.68 0.00 0.00 178.15 178.28 1r3b h PHE 187 N -0.70 1.25 0.07 1.37 0.04 -0.77 0.19 116.94 118.40 1r3b h PHE 187 Ca -0.33 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 1r3b h PHE 187 Cb 1.49 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1r3b h PHE 187 CO 0.11 0.84 -0.03 0.35 -0.60 0.00 0.00 178.31 178.98 1r3b h PHE 188 N 1.30 -0.09 -0.43 -0.55 3.57 -0.91 -2.00 116.94 117.84 1r3b h PHE 188 Ca 0.34 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1r3b h PHE 188 Cb -0.04 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1r3b h PHE 188 CO 0.01 0.14 0.22 -0.39 -2.23 0.00 0.00 178.31 176.06 1r3b h VAL 189 N -0.30 1.17 -0.20 1.41 -1.51 -1.48 -1.86 116.25 113.47 1r3b h VAL 189 Ca -0.01 -0.46 0.06 0.00 -1.23 0.00 0.00 66.70 65.06 1r3b h VAL 189 Cb 0.26 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1r3b h VAL 189 CO 0.02 0.18 0.15 -0.61 -1.23 0.00 0.00 177.57 176.07 1r3b h GLN 190 N 0.56 0.00 0.06 5.19 4.15 -0.57 4.84 115.11 129.34 1r3b h GLN 190 Ca 0.15 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.37 1r3b h GLN 190 Cb 0.09 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.80 1r3b h GLN 190 CO -0.02 0.00 -0.82 1.49 -1.93 0.00 0.00 178.83 177.55 1r3b h GLU 191 N 0.00 0.45 0.00 1.69 4.57 -0.62 -3.36 114.58 117.31 1r3b h GLU 191 Ca 0.09 -0.57 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1r3b h GLU 191 Cb 0.39 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1r3b h GLU 191 CO -0.00 1.21 -0.37 1.19 -1.18 0.00 0.00 179.01 179.86 1r3b n PHE 192 N -4.08 0.00 0.00 0.92 3.01 -0.77 -4.91 117.46 111.62 1r3b n PHE 192 Ca -0.12 -0.95 0.00 0.00 1.01 0.00 0.00 57.45 57.39 1r3b n PHE 192 Cb 0.79 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1r3b n ASN 193 N -0.88 0.00 -1.55 4.37 2.85 1.50 -4.96 115.26 116.58 1r3b n ASN 193 Ca 0.13 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.42 1r3b n ASN 193 Cb 0.73 0.17 -0.08 0.00 1.24 0.00 0.00 39.78 41.84 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1r3b n LEU 194 N -1.98 -1.37 -4.76 1.20 0.00 0.38 -4.88 117.00 105.60 1r3b n LEU 194 Ca 0.00 0.46 -0.40 0.00 0.00 0.00 0.00 56.01 56.07 1r3b n LEU 194 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 43.42 40.76 1r3b n LEU 194 CO 0.00 -0.98 0.84 -0.51 0.00 0.00 0.00 177.39 176.74 1r3b s ILE 195 N -2.59 3.28 0.19 1.96 1.10 -1.26 -4.99 121.20 118.89 1r3b s ILE 195 Ca 0.00 1.29 -0.03 0.00 -0.51 0.00 0.00 60.65 61.40 1r3b s ILE 195 Cb 0.00 -3.82 0.05 0.00 0.15 0.00 0.00 42.46 38.83 1r3b s ILE 195 CO 0.00 0.31 0.10 0.47 -2.11 0.00 0.00 174.94 173.71 1r3b n ASP 196 N 1.08 -1.89 0.17 4.50 8.00 -1.26 -4.53 116.55 122.62 1r3b n ASP 196 Ca -0.01 -0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.50 1r3b n ASP 196 Cb 0.44 -0.13 0.61 0.00 -0.02 0.00 0.00 41.12 42.02 1r3b n ASP 196 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1r3b h ARG 197 N 0.00 0.00 -0.35 -1.24 -0.00 -1.96 -2.81 114.38 108.02 1r3b h ARG 197 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 59.98 60.00 1r3b h ARG 197 Cb 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 30.04 1r3b h ARG 197 CO 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 179.97 179.59 1r3b h ARG 198 N 0.00 -0.33 0.00 0.08 3.08 -1.96 1.06 114.38 116.30 1r3b h ARG 198 Ca 0.00 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.85 1r3b h ARG 198 Cb 0.03 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1r3b h ARG 198 CO 0.00 -0.22 -1.69 -1.91 -1.07 0.00 0.00 179.97 175.08 1r3b n GLU 199 N -5.42 0.64 -1.02 0.04 2.13 -1.16 -4.07 120.64 111.78 1r3b n GLU 199 Ca -0.01 0.18 -0.18 0.00 0.66 0.00 0.00 57.16 57.81 1r3b n GLU 199 Cb 0.35 -1.74 0.17 0.00 0.27 0.00 0.00 31.44 30.49 1r3b n GLU 199 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1r3b n LEU 200 N -2.88 6.09 -0.25 4.31 4.77 -1.06 -4.72 117.00 123.26 1r3b n LEU 200 Ca -0.15 -3.23 -0.10 0.00 -0.03 0.00 0.00 56.01 52.50 1r3b n LEU 200 Cb 0.94 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1r3b n LEU 200 CO 0.44 0.93 0.49 0.00 -1.33 0.00 0.00 177.39 177.92 1r3b h ALA 201 N 1.37 -0.56 -0.22 -1.18 0.00 0.10 -3.28 119.26 115.49 1r3b h ALA 201 Ca 0.50 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 1r3b h ALA 201 Cb 2.53 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 21.51 1r3b h ALA 201 CO 0.90 -0.86 0.29 -1.25 0.00 0.00 0.00 179.25 178.33 1r3b s PRO 202 N -5.12 1.51 0.00 0.00 0.04 -1.26 -2.69 135.00 127.48 1r3b s PRO 202 Ca -0.11 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1r3b s PRO 202 Cb 0.08 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.60 1r3b s PRO 202 CO 0.51 -5.06 0.00 1.28 0.04 0.00 0.00 177.00 173.77 1r3b n LEU 203 N 18.39 0.00 0.28 -3.56 4.77 -1.24 -4.95 117.00 130.70 1r3b n LEU 203 Ca 0.43 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.55 1r3b n LEU 203 Cb 0.46 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.37 1r3b n LEU 203 CO 0.61 0.00 1.03 -0.61 -1.33 0.00 0.00 177.39 177.08 1r3b h GLN 204 N 0.00 0.00 0.00 3.23 -0.00 -1.72 -0.97 115.11 115.66 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1r3b h GLN 204 CO 0.00 0.08 -0.00 1.49 0.00 0.00 0.00 178.83 180.40 1r3b h GLU 205 N 0.00 -0.00 -0.44 1.69 4.81 -1.93 -2.59 114.58 116.11 1r3b h GLU 205 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1r3b h GLU 205 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1r3b h GLU 205 CO 0.01 0.79 -0.19 1.37 -0.73 0.00 0.00 179.01 180.26 1r3b h LEU 206 N -0.81 0.89 -0.27 1.64 8.10 -1.90 0.43 115.31 123.38 1r3b h LEU 206 Ca -0.00 -0.31 -0.03 0.00 0.11 0.00 0.00 57.88 57.65 1r3b h LEU 206 Cb 0.80 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 1r3b h LEU 206 CO 0.00 1.06 0.06 -0.29 -4.11 0.00 0.00 178.44 175.16 1r3b h ILE 207 N 0.77 1.22 -0.25 0.15 2.10 -1.30 -1.22 117.51 118.98 1r3b h ILE 207 Ca 0.11 -0.71 -0.09 0.00 1.08 0.00 0.00 64.86 65.24 1r3b h ILE 207 Cb 0.73 1.17 -0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1r3b h ILE 207 CO 0.06 0.23 -0.21 -0.08 -1.08 0.00 0.00 178.15 177.07 1r3b h GLU 208 N 0.27 0.59 -0.15 2.19 4.81 -1.41 -2.88 114.58 117.99 1r3b h GLU 208 Ca 0.09 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1r3b h GLU 208 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1r3b h GLU 208 CO 0.00 0.88 0.07 -0.22 -0.73 0.00 0.00 179.01 179.01 1r3b h LYS 209 N 0.31 0.20 0.13 1.92 1.63 -0.87 -2.77 116.57 117.12 1r3b h LYS 209 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1r3b h LYS 209 Cb 0.76 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1r3b h LYS 209 CO 0.05 0.16 -0.06 1.25 -3.45 0.00 0.00 179.45 177.41 1r3b h LEU 210 N 0.21 -0.14 0.00 5.20 5.85 -1.08 -3.49 115.31 121.85 1r3b h LEU 210 Ca 0.05 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1r3b h LEU 210 Cb 0.03 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1r3b h LEU 210 CO -0.01 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 1r3b n GLY 211 N -0.15 -1.23 3.62 3.75 0.00 -1.04 -5.12 105.19 105.03 1r3b n GLY 211 Ca -0.09 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 1r3b n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 212 N -2.26 -0.37 0.32 1.61 1.04 -1.26 -4.38 113.70 108.40 1r3b s SER 212 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1r3b s SER 212 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1r3b s SER 212 CO 0.00 -1.01 0.00 0.29 0.98 0.00 0.00 173.24 173.50 1r3b n LYS 213 N -0.40 -4.47 -4.89 4.02 4.76 -1.26 -5.03 118.16 110.90 1r3b n LYS 213 Ca -0.10 3.22 -0.27 0.00 -2.87 0.00 0.00 58.31 58.29 1r3b n LYS 213 Cb 0.62 -3.54 -0.15 0.00 -1.84 0.00 0.00 35.03 30.12 1r3b n LYS 213 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1r3b s ASP 214 N -1.79 2.62 0.00 4.39 2.15 -1.26 -5.30 116.67 117.49 1r3b s ASP 214 Ca 0.00 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.51 1r3b s ASP 214 Cb 0.00 -0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.36 1r3b s ASP 214 CO 0.00 0.23 0.00 -1.14 -0.17 0.00 0.00 175.17 174.09