#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b s GLY 15 N 0.00 0.97 -0.33 -5.12 0.00 -1.26 -5.11 107.32 96.48 1r3b s GLY 15 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.79 1r3b s GLY 15 CO 0.00 0.88 0.21 -0.45 0.00 0.00 0.00 173.10 173.74 1r3b s SER 16 N 1.62 5.87 -0.05 1.64 0.15 -1.26 -5.07 113.70 116.60 1r3b s SER 16 Ca 0.01 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.24 1r3b s SER 16 Cb -0.15 -2.09 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1r3b s SER 16 CO -0.08 -0.21 -0.10 -0.55 1.20 0.00 0.00 173.24 173.50 1r3b s SER 17 N 1.68 1.47 0.17 5.45 0.15 -1.26 -5.13 113.70 116.24 1r3b s SER 17 Ca 0.06 -0.24 -0.23 0.00 0.70 0.00 0.00 55.95 56.24 1r3b s SER 17 Cb -0.17 -0.62 0.08 0.00 -1.71 0.00 0.00 66.02 63.60 1r3b s SER 17 CO 0.09 0.03 1.04 -1.38 1.20 0.00 0.00 173.24 174.22 1r3b s HIS 18 N 0.59 0.04 -0.16 3.44 0.00 -1.26 -5.06 115.29 112.88 1r3b s HIS 18 Ca -0.11 -0.42 0.04 0.00 -3.00 0.00 0.00 55.06 51.57 1r3b s HIS 18 Cb -0.14 0.69 -0.23 0.00 -4.00 0.00 0.00 32.58 28.90 1r3b s HIS 18 CO 0.02 -0.88 0.20 0.72 -1.00 0.00 0.00 174.74 173.79 1r3b n HIS 19 N -0.67 0.61 -1.64 0.38 -0.00 -1.26 -5.10 115.22 107.54 1r3b n HIS 19 Ca -0.03 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1r3b n HIS 19 Cb 0.60 -1.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 1r3b n HIS 19 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r3b n HIS 20 N -3.20 -4.15 -1.44 4.41 -0.00 -1.26 -4.98 115.22 104.61 1r3b n HIS 20 Ca -0.33 2.23 0.00 0.00 -0.00 0.00 0.00 57.72 59.62 1r3b n HIS 20 Cb 1.05 -3.39 0.00 0.00 -0.00 0.00 0.00 29.99 27.66 1r3b n HIS 20 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r3b n HIS 21 N 0.63 -3.96 -3.65 1.57 -0.00 -1.26 -5.05 115.22 103.50 1r3b n HIS 21 Ca 0.00 2.12 -0.04 0.00 -0.00 0.00 0.00 57.72 59.80 1r3b n HIS 21 Cb 0.00 -3.30 -0.06 0.00 -0.00 0.00 0.00 29.99 26.63 1r3b n HIS 21 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r3b s HIS 22 N -4.06 -1.17 0.45 1.57 5.65 -1.26 -5.18 115.29 111.29 1r3b s HIS 22 Ca 0.00 2.18 0.03 0.00 0.25 0.00 0.00 55.06 57.52 1r3b s HIS 22 Cb 0.00 0.69 -0.04 0.00 -1.18 0.00 0.00 32.58 32.06 1r3b s HIS 22 CO 0.00 -0.59 0.04 -3.38 -0.65 0.00 0.00 174.74 170.16 1r3b s HIS 23 N 2.27 2.00 -0.20 3.88 0.00 -1.26 -5.15 115.29 116.83 1r3b s HIS 23 Ca -0.08 -0.97 -0.04 0.00 -3.00 0.00 0.00 55.06 50.98 1r3b s HIS 23 Cb -0.09 -1.51 0.10 0.00 -4.00 0.00 0.00 32.58 27.08 1r3b s HIS 23 CO -0.19 0.13 0.25 0.45 -1.00 0.00 0.00 174.74 174.39 1r3b s SER 24 N -3.74 1.05 -0.13 7.38 0.15 -1.26 -5.13 113.70 112.02 1r3b s SER 24 Ca 0.19 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.59 1r3b s SER 24 Cb 0.04 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1r3b s SER 24 CO 0.10 -0.31 0.60 -0.55 1.20 0.00 0.00 173.24 174.28 1r3b s SER 25 N 2.38 6.78 0.00 5.45 0.15 -1.26 -4.98 113.70 122.22 1r3b s SER 25 Ca 0.07 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1r3b s SER 25 Cb -0.15 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1r3b s SER 25 CO -0.12 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1r3b n GLY 26 N 3.38 -1.52 2.78 9.45 0.00 -1.26 -5.15 105.19 112.88 1r3b n GLY 26 Ca -0.03 0.98 -0.18 0.00 0.00 0.00 0.00 46.02 46.79 1r3b n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r3b s LEU 27 N 0.00 -0.09 -0.03 0.99 2.96 -1.26 -5.14 118.68 116.11 1r3b s LEU 27 Ca 0.00 -0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.68 1r3b s LEU 27 Cb 0.00 0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.99 1r3b s LEU 27 CO 0.00 -0.30 0.48 0.54 -1.32 0.00 0.00 176.35 175.74 1r3b s VAL 28 N 2.32 5.02 0.85 1.68 0.11 -1.26 -5.08 120.40 124.03 1r3b s VAL 28 Ca 0.05 0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 59.97 1r3b s VAL 28 Cb -0.15 -3.80 0.10 0.00 -1.53 0.00 0.00 36.38 31.00 1r3b s VAL 28 CO -0.10 0.48 1.10 -2.16 -3.33 0.00 0.00 175.10 171.08 1r3b s PRO 29 N -0.44 1.65 0.28 1.54 0.04 -1.26 -5.09 135.00 131.72 1r3b s PRO 29 Ca 0.26 0.66 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1r3b s PRO 29 Cb -0.17 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1r3b s PRO 29 CO 0.14 -1.93 0.26 -0.98 0.04 0.00 0.00 177.00 174.52 1r3b s ARG 30 N -5.09 1.56 0.00 4.56 1.70 -1.26 -5.12 118.95 115.31 1r3b s ARG 30 Ca 0.62 -1.81 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 1r3b s ARG 30 Cb -0.16 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1r3b s ARG 30 CO 0.55 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 1r3b n GLY 31 N -0.48 1.00 3.70 3.88 0.00 -1.26 -5.14 105.19 106.90 1r3b n GLY 31 Ca 0.04 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 4.40 0.10 1.61 0.15 -1.26 -5.15 113.70 113.54 1r3b s SER 32 Ca 0.00 -0.98 0.03 0.00 0.70 0.00 0.00 55.95 55.70 1r3b s SER 32 Cb 0.00 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1r3b s SER 32 CO 0.00 -0.37 -0.08 0.00 1.20 0.00 0.00 173.24 173.99 1r3b s ALA 33 N -2.53 1.02 -0.27 5.45 0.00 -1.26 -5.15 121.76 119.03 1r3b s ALA 33 Ca 0.38 -1.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1r3b s ALA 33 Cb 0.01 0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.36 1r3b s ALA 33 CO 0.21 -0.15 0.55 -0.08 0.00 0.00 0.00 175.76 176.29 1r3b s THR 34 N -3.10 -0.86 0.38 0.00 -1.32 -1.26 -5.17 115.64 104.31 1r3b s THR 34 Ca 0.09 0.04 0.07 0.00 -1.21 0.00 0.00 61.69 60.68 1r3b s THR 34 Cb 0.02 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1r3b s THR 34 CO -0.03 0.01 0.52 -0.76 -2.21 0.00 0.00 174.62 172.16 1r3b s LEU 35 N 2.78 3.81 -0.46 9.08 1.43 -1.26 -5.08 118.68 128.99 1r3b s LEU 35 Ca 0.01 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1r3b s LEU 35 Cb -0.13 -2.72 0.28 0.00 0.03 0.00 0.00 46.19 43.65 1r3b s LEU 35 CO -0.17 -0.60 1.03 0.61 0.23 0.00 0.00 176.35 177.45 1r3b n GLY 36 N -1.75 -0.02 2.71 -3.19 0.00 -1.26 -5.12 105.19 96.55 1r3b n GLY 36 Ca 0.04 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.33 1.13 -0.28 1.61 0.01 -1.26 -5.13 113.70 108.45 1r3b s SER 37 Ca 0.27 0.03 -0.17 0.00 1.31 0.00 0.00 55.95 57.40 1r3b s SER 37 Cb 0.25 -0.21 0.10 0.00 0.21 0.00 0.00 66.02 66.37 1r3b s SER 37 CO -0.16 -0.22 0.80 -0.83 0.41 0.00 0.00 173.24 173.24 1r3b s GLY 38 N 1.98 -0.40 0.30 3.44 0.00 -1.26 -5.17 107.32 106.21 1r3b s GLY 38 Ca 0.03 2.67 0.05 0.00 0.00 0.00 0.00 44.72 47.47 1r3b s GLY 38 CO -0.03 2.43 0.44 -1.31 0.00 0.00 0.00 173.10 174.62 1r3b s ASN 39 N 1.44 6.15 0.10 1.64 0.01 -1.26 -5.03 114.94 117.99 1r3b s ASN 39 Ca -0.09 0.02 -0.10 0.00 -0.71 0.00 0.00 52.86 51.98 1r3b s ASN 39 Cb -0.05 -1.61 -0.17 0.00 0.41 0.00 0.00 41.25 39.83 1r3b s ASN 39 CO -0.17 -0.27 1.24 0.25 -1.51 0.00 0.00 177.10 176.64 1r3b h LEU 40 N 0.98 0.75 -0.12 0.60 7.12 -2.02 -2.84 115.31 119.77 1r3b h LEU 40 Ca -0.49 -0.60 -0.05 0.00 0.13 0.00 0.00 57.88 56.87 1r3b h LEU 40 Cb 1.24 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1r3b h LEU 40 CO 0.58 1.40 -0.12 0.03 -0.13 0.00 0.00 178.44 180.20 1r3b h ARG 41 N 0.32 0.29 -0.17 1.25 3.08 -2.00 -3.06 114.38 114.09 1r3b h ARG 41 Ca -0.11 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1r3b h ARG 41 Cb 1.66 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 1r3b h ARG 41 CO 0.19 0.69 0.09 1.96 -1.07 0.00 0.00 179.97 181.83 1r3b h GLN 42 N -0.10 0.23 0.00 0.04 4.20 -1.87 -0.21 115.11 117.41 1r3b h GLN 42 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r3b h GLN 42 Cb 0.64 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1r3b h GLN 42 CO 0.03 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 1r3b n ALA 43 N -2.51 1.68 0.00 3.87 0.00 -1.07 -2.70 120.51 119.79 1r3b n ALA 43 Ca -0.00 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1r3b n ALA 43 Cb 0.10 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b h VAL 44 N 0.00 1.04 -3.54 0.00 2.07 -0.98 -3.46 116.25 111.38 1r3b h VAL 44 Ca 0.00 -2.84 -0.62 0.00 0.82 0.00 0.00 66.70 64.06 1r3b h VAL 44 Cb 0.37 2.54 -0.33 0.00 -1.52 0.00 0.00 31.29 32.36 1r3b h VAL 44 CO 0.00 0.64 -0.86 -0.04 0.02 0.00 0.00 177.57 177.33 1r3b s MET 45 N -2.62 2.40 -0.74 1.57 1.00 -1.10 -4.85 119.30 114.96 1r3b s MET 45 Ca -0.05 -0.71 -0.33 0.00 0.00 0.00 0.00 55.69 54.60 1r3b s MET 45 Cb 0.08 -1.91 -0.18 0.00 0.00 0.00 0.00 34.83 32.83 1r3b s MET 45 CO 0.82 0.17 2.49 -0.11 0.00 0.00 0.00 175.02 178.40 1r3b n LEU 46 N 3.47 0.94 -4.76 -0.03 7.94 -1.26 -4.79 117.00 118.51 1r3b n LEU 46 Ca -0.20 0.18 -0.34 0.00 -1.11 0.00 0.00 56.01 54.54 1r3b n LEU 46 Cb 0.52 -1.07 0.04 0.00 0.53 0.00 0.00 43.42 43.45 1r3b n LEU 46 CO 0.26 -0.87 0.78 -2.16 -1.11 0.00 0.00 177.39 174.29 1r3b s PRO 47 N 8.01 2.81 -0.48 1.96 0.04 -1.26 -3.12 135.00 142.95 1r3b s PRO 47 Ca 1.24 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1r3b s PRO 47 Cb -1.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1r3b s PRO 47 CO 0.48 -1.28 0.00 -0.85 0.04 0.00 0.00 177.00 175.39 1r3b n GLU 48 N -2.11 -2.59 -2.97 4.56 0.28 -1.26 -0.39 120.64 116.17 1r3b n GLU 48 Ca 0.12 0.27 -0.18 0.00 -0.16 0.00 0.00 57.16 57.21 1r3b n GLU 48 Cb 0.51 -4.80 -0.00 0.00 1.43 0.00 0.00 31.44 28.58 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1r3b n GLY 49 N -0.62 -0.49 3.45 -1.84 0.00 -1.18 -4.90 105.19 99.61 1r3b n GLY 49 Ca -0.07 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1r3b n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r3b n GLU 50 N -3.33 -1.28 -1.52 1.61 -0.58 0.47 -4.92 120.64 111.08 1r3b n GLU 50 Ca -0.07 -0.34 -0.36 0.00 -0.42 0.00 0.00 57.16 55.98 1r3b n GLU 50 Cb 0.57 -2.03 0.09 0.00 -0.57 0.00 0.00 31.44 29.50 1r3b n GLU 50 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1r3b s ASP 51 N -2.22 4.25 0.00 1.62 -1.08 -1.26 -4.87 116.67 113.10 1r3b s ASP 51 Ca 0.62 2.54 -0.25 0.00 -0.52 0.00 0.00 52.55 54.94 1r3b s ASP 51 Cb -0.21 -2.61 -0.17 0.00 -1.46 0.00 0.00 42.92 38.48 1r3b s ASP 51 CO 0.64 -2.24 1.23 0.25 0.52 0.00 0.00 175.17 175.57 1r3b h LEU 52 N 0.04 -0.25 -1.68 -1.34 5.85 -1.99 -2.15 115.31 113.78 1r3b h LEU 52 Ca -0.49 -0.24 0.35 0.00 0.84 0.00 0.00 57.88 58.34 1r3b h LEU 52 Cb 1.32 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.34 1r3b h LEU 52 CO 0.51 0.13 0.83 0.78 -0.34 0.00 0.00 178.44 180.35 1r3b h ASN 53 N -0.68 0.19 -0.02 1.25 4.21 -2.00 0.57 115.58 119.09 1r3b h ASN 53 Ca -0.03 0.05 -0.13 0.00 1.21 0.00 0.00 56.30 57.40 1r3b h ASN 53 Cb 0.48 0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.71 1r3b h ASN 53 CO 0.05 -0.00 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.61 1r3b h GLU 54 N 0.15 0.38 -0.44 0.81 4.81 -1.91 -3.02 114.58 115.36 1r3b h GLU 54 Ca 0.65 -0.38 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 1r3b h GLU 54 Cb 2.18 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 31.58 1r3b h GLU 54 CO -0.18 1.04 -0.04 2.35 -0.73 0.00 0.00 179.01 181.46 1r3b h TRP 55 N -0.14 -0.10 -0.10 0.92 -0.00 0.76 0.43 115.95 117.72 1r3b h TRP 55 Ca -0.06 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1r3b h TRP 55 Cb 1.20 0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 30.43 1r3b h TRP 55 CO 0.14 -0.13 -0.11 0.82 -0.00 0.00 0.00 178.44 179.16 1r3b h ILE 56 N 0.07 0.69 -0.41 2.65 2.04 -1.24 0.64 117.51 121.94 1r3b h ILE 56 Ca 0.22 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 1r3b h ILE 56 Cb 0.32 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1r3b h ILE 56 CO -0.40 0.00 0.11 0.00 0.00 0.00 0.00 178.15 177.86 1r3b h ALA 57 N 0.91 1.42 0.02 1.87 0.00 -1.22 0.19 119.26 122.45 1r3b h ALA 57 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r3b h ALA 57 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r3b h ALA 57 CO -0.18 0.42 -0.01 0.28 0.00 0.00 0.00 179.25 179.76 1r3b h VAL 58 N 0.59 1.17 0.00 0.00 2.07 0.72 -2.94 116.25 117.87 1r3b h VAL 58 Ca 0.14 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1r3b h VAL 58 Cb 0.22 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1r3b h VAL 58 CO -0.00 0.15 -0.51 0.78 0.02 0.00 0.00 177.57 178.01 1r3b h ASN 59 N -0.29 0.00 0.47 0.57 2.35 -0.74 -2.94 115.58 115.00 1r3b h ASN 59 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1r3b h ASN 59 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1r3b h ASN 59 CO 0.01 0.51 -0.23 0.74 -1.65 0.00 0.00 177.43 176.81 1r3b h THR 60 N 0.00 0.53 -0.88 2.81 2.02 -0.59 0.82 112.91 117.62 1r3b h THR 60 Ca -0.01 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1r3b h THR 60 Cb 1.17 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1r3b h THR 60 CO 0.07 0.02 0.53 0.58 0.37 0.00 0.00 175.52 177.09 1r3b h VAL 61 N -0.70 1.24 0.05 3.16 2.07 -1.59 0.92 116.25 121.40 1r3b h VAL 61 Ca -0.06 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1r3b h VAL 61 Cb 0.52 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1r3b h VAL 61 CO 0.11 0.26 -0.02 0.44 0.02 0.00 0.00 177.57 178.37 1r3b h ASP 62 N 1.21 -0.06 0.65 0.57 3.32 -1.32 0.42 116.42 121.22 1r3b h ASP 62 Ca 0.32 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1r3b h ASP 62 Cb -0.05 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1r3b h ASP 62 CO -0.06 0.11 -0.35 -0.26 -1.72 0.00 0.00 179.24 176.96 1r3b h PHE 63 N -0.22 -0.92 -0.12 4.55 0.04 0.95 0.65 116.94 121.88 1r3b h PHE 63 Ca -0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1r3b h PHE 63 Cb 0.19 0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1r3b h PHE 63 CO -0.02 -0.55 -0.01 0.35 -0.60 0.00 0.00 178.31 177.47 1r3b h PHE 64 N -0.93 0.16 -0.05 -0.55 3.04 -0.84 0.64 116.94 118.41 1r3b h PHE 64 Ca -0.08 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 1r3b h PHE 64 Cb 0.73 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1r3b h PHE 64 CO -0.06 0.19 -0.24 -0.97 -2.02 0.00 0.00 178.31 175.21 1r3b h ASN 65 N 0.16 0.30 0.52 0.41 -1.24 0.27 -0.66 115.58 115.35 1r3b h ASN 65 Ca 0.04 -0.65 -0.03 0.00 0.71 0.00 0.00 56.30 56.38 1r3b h ASN 65 Cb 0.14 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 39.11 1r3b h ASN 65 CO 0.00 0.90 -0.25 1.56 -1.29 0.00 0.00 177.43 178.35 1r3b h GLN 66 N -0.27 -0.67 -0.93 6.67 1.08 0.67 0.10 115.11 121.76 1r3b h GLN 66 Ca -0.01 0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1r3b h GLN 66 Cb 0.89 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.41 1r3b h GLN 66 CO 0.05 -0.41 0.60 -0.84 -0.95 0.00 0.00 178.83 177.28 1r3b h ILE 67 N -0.79 1.07 0.00 2.54 -0.00 -0.98 0.13 117.51 119.47 1r3b h ILE 67 Ca -0.07 -0.36 -0.06 0.00 -0.00 0.00 0.00 64.86 64.36 1r3b h ILE 67 Cb 0.58 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.82 37.31 1r3b h ILE 67 CO 0.12 0.19 -0.29 -1.13 -0.00 0.00 0.00 178.15 177.04 1r3b h ASN 68 N 1.06 0.00 0.13 2.16 -1.24 -0.91 -2.71 115.58 114.07 1r3b h ASN 68 Ca 0.40 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.40 1r3b h ASN 68 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1r3b h ASN 68 CO -0.15 0.29 -0.06 -0.03 -1.29 0.00 0.00 177.43 176.19 1r3b h MET 69 N 0.00 -0.17 0.00 6.67 4.05 0.19 -1.99 114.93 123.68 1r3b h MET 69 Ca -0.00 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1r3b h MET 69 Cb 0.64 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1r3b h MET 69 CO 0.04 0.19 -0.12 1.37 0.23 0.00 0.00 176.91 178.62 1r3b h LEU 70 N -0.56 0.00 -0.40 3.39 -0.00 -1.49 -2.92 115.31 113.33 1r3b h LEU 70 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.69 1r3b h LEU 70 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 1r3b h LEU 70 CO 0.03 0.12 -0.80 0.22 -0.00 0.00 0.00 178.44 178.01 1r3b h TYR 71 N 0.00 0.17 -0.01 0.17 3.20 -1.46 -3.13 116.97 115.91 1r3b h TYR 71 Ca -0.00 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 1r3b h TYR 71 Cb 0.76 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1r3b h TYR 71 CO 0.00 0.87 -0.28 0.78 -1.64 0.00 0.00 178.16 177.88 1r3b h GLY 72 N 2.00 0.02 1.99 1.82 0.00 -1.15 0.59 103.07 108.34 1r3b h GLY 72 Ca -0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1r3b h GLY 72 CO 0.11 0.01 -0.87 -0.91 0.00 0.00 0.00 176.54 174.89 1r3b h THR 73 N 0.02 1.62 -0.01 4.70 1.35 -1.59 -3.22 112.91 115.77 1r3b h THR 73 Ca 0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 1r3b h THR 73 Cb 0.51 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1r3b h THR 73 CO 0.04 0.85 -0.54 0.00 -0.25 0.00 0.00 175.52 175.62 1r3b n ILE 74 N -3.51 0.00 -0.15 6.82 0.00 -0.98 -4.37 119.36 117.17 1r3b n ILE 74 Ca -0.00 -0.21 0.23 0.00 0.00 0.00 0.00 62.75 62.77 1r3b n ILE 74 Cb 0.83 1.14 0.65 0.00 0.00 0.00 0.00 39.64 42.26 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3b h THR 75 N 1.97 0.65 -0.25 9.51 1.03 0.16 0.24 112.91 126.21 1r3b h THR 75 Ca 0.00 -0.05 0.01 0.00 -0.01 0.00 0.00 66.41 66.37 1r3b h THR 75 Cb 0.70 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.27 1r3b h THR 75 CO 0.00 0.02 0.17 1.05 -0.01 0.00 0.00 175.52 176.75 1r3b h GLU 76 N 0.13 0.29 0.01 0.00 4.11 -1.79 -1.93 114.58 115.40 1r3b h GLU 76 Ca 0.39 -0.02 -0.26 0.00 0.07 0.00 0.00 59.36 59.54 1r3b h GLU 76 Cb 1.34 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1r3b h GLU 76 CO -0.06 0.19 -1.43 0.74 0.07 0.00 0.00 179.01 178.52 1r3b h PHE 77 N 0.30 0.03 -2.74 2.06 -1.00 -0.87 -3.44 116.94 111.27 1r3b h PHE 77 Ca 0.10 -0.02 -0.57 0.00 2.81 0.00 0.00 57.97 60.28 1r3b h PHE 77 Cb 0.03 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 1r3b h PHE 77 CO -0.00 1.03 1.19 0.00 -1.61 0.00 0.00 178.31 178.93 1r3b n THR 79 N 6.89 0.00 0.13 0.00 5.66 -1.26 -4.92 114.28 120.77 1r3b n THR 79 Ca 0.21 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.20 1r3b n THR 79 Cb 0.46 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.34 1r3b n THR 79 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1r3b h GLU 80 N 0.00 0.00 -0.60 1.09 4.81 -1.92 -3.18 114.58 114.77 1r3b h GLU 80 Ca 0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1r3b h GLU 80 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1r3b h GLU 80 CO 0.00 0.65 0.40 0.77 -0.73 0.00 0.00 179.01 180.10 1r3b h SER 81 N 0.00 0.53 -3.35 1.04 0.02 -1.96 -3.40 113.55 106.43 1r3b h SER 81 Ca -0.01 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1r3b h SER 81 Cb 1.30 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1r3b h SER 81 CO 0.08 0.35 1.03 0.42 -1.14 0.00 0.00 176.83 177.57 1r3b s THR 82 N -5.54 3.99 0.03 -2.27 -4.23 -1.20 -4.54 115.64 101.88 1r3b s THR 82 Ca -0.09 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 1r3b s THR 82 Cb 0.19 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.75 1r3b s THR 82 CO 0.75 -0.78 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 1r3b n SER 84 N 1.83 2.42 -4.77 0.00 3.41 -1.26 -4.42 113.62 110.84 1r3b n SER 84 Ca 0.00 -0.01 -0.39 0.00 -0.26 0.00 0.00 58.87 58.20 1r3b n SER 84 Cb 0.00 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1r3b n SER 84 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1r3b s VAL 85 N -2.27 3.12 -0.46 -3.33 -7.23 -1.26 -4.87 120.40 104.11 1r3b s VAL 85 Ca -0.08 1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 61.05 1r3b s VAL 85 Cb 0.04 -3.63 0.11 0.00 0.56 0.00 0.00 36.38 33.46 1r3b s VAL 85 CO 0.42 0.18 0.32 -0.04 -0.31 0.00 0.00 175.10 175.68 1r3b s MET 86 N -1.93 2.49 -0.11 4.82 -1.94 -1.26 -5.00 119.30 116.37 1r3b s MET 86 Ca 0.51 -1.70 -0.10 0.00 -1.71 0.00 0.00 55.69 52.69 1r3b s MET 86 Cb -0.34 -3.88 0.03 0.00 2.01 0.00 0.00 34.83 32.65 1r3b s MET 86 CO 0.43 -1.14 0.29 -1.12 -0.01 0.00 0.00 175.02 173.47 1r3b s SER 87 N 2.53 -0.30 -0.36 3.03 0.01 -1.26 -5.04 113.70 112.30 1r3b s SER 87 Ca 0.05 0.59 0.03 0.00 1.31 0.00 0.00 55.95 57.93 1r3b s SER 87 Cb -0.25 0.58 0.11 0.00 0.21 0.00 0.00 66.02 66.66 1r3b s SER 87 CO -0.00 -0.11 0.10 0.00 0.41 0.00 0.00 173.24 173.64 1r3b s ALA 88 N 0.25 2.69 0.00 1.44 0.00 -0.82 -5.04 121.76 120.29 1r3b s ALA 88 Ca -0.01 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1r3b s ALA 88 Cb -0.03 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1r3b s ALA 88 CO -0.01 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1r3b n GLY 89 N 4.16 -0.25 0.18 0.00 0.00 -1.26 -3.11 105.19 104.90 1r3b n GLY 89 Ca 0.03 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.55 -0.33 1.61 0.13 -2.06 -3.43 132.00 128.47 1r3b h PRO 90 Ca 0.00 -0.26 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1r3b h PRO 90 Cb 0.00 -0.01 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1r3b h PRO 90 CO 0.00 0.83 -0.22 -2.13 -0.23 0.00 0.00 178.00 176.25 1r3b n ARG 91 N -4.43 0.26 -3.59 0.86 0.63 -1.26 -5.16 116.66 103.96 1r3b n ARG 91 Ca -0.04 -1.14 -0.15 0.00 -0.92 0.00 0.00 57.85 55.61 1r3b n ARG 91 Cb 0.38 -0.41 -0.06 0.00 0.45 0.00 0.00 32.46 32.82 1r3b n ARG 91 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1r3b s TYR 92 N 0.80 -0.43 0.09 -0.14 1.51 -1.18 -5.05 117.35 112.94 1r3b s TYR 92 Ca 0.26 0.57 0.01 0.00 -1.01 0.00 0.00 57.07 56.90 1r3b s TYR 92 Cb 0.12 0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 42.25 1r3b s TYR 92 CO -0.10 -0.60 0.21 -1.83 -1.11 0.00 0.00 175.55 172.12 1r3b s GLU 93 N -2.05 3.36 0.18 -0.62 -1.05 -1.26 -1.95 118.70 115.32 1r3b s GLU 93 Ca -0.08 -0.52 0.05 0.00 -0.15 0.00 0.00 54.97 54.28 1r3b s GLU 93 Cb -0.01 -2.98 -0.04 0.00 -0.44 0.00 0.00 34.13 30.67 1r3b s GLU 93 CO 0.01 0.58 0.19 1.52 0.95 0.00 0.00 175.26 178.52 1r3b s TYR 94 N -1.56 3.23 -0.06 4.83 -0.85 -1.26 -4.96 117.35 116.72 1r3b s TYR 94 Ca 0.34 -0.01 -0.23 0.00 -0.52 0.00 0.00 57.07 56.66 1r3b s TYR 94 Cb -0.12 -1.53 0.07 0.00 0.38 0.00 0.00 41.96 40.76 1r3b s TYR 94 CO 0.27 0.51 1.01 1.58 -1.52 0.00 0.00 175.55 177.40 1r3b n HIS 95 N -0.62 -0.10 -0.08 -3.49 -0.00 -1.26 -5.09 115.22 104.58 1r3b n HIS 95 Ca -0.08 -0.42 -0.08 0.00 0.46 0.00 0.00 57.72 57.60 1r3b n HIS 95 Cb 0.55 0.18 -0.03 0.00 -0.12 0.00 0.00 29.99 30.58 1r3b n HIS 95 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1r3b n TRP 96 N -0.73 0.00 -3.15 1.57 5.03 -1.26 -5.03 117.44 113.88 1r3b n TRP 96 Ca 0.05 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.62 1r3b n TRP 96 Cb 0.43 -0.46 -0.01 0.00 -1.03 0.00 0.00 31.31 30.25 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1r3b s ALA 97 N -2.86 -2.43 1.05 6.99 0.00 -1.26 -5.15 121.76 118.10 1r3b s ALA 97 Ca -0.27 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 1r3b s ALA 97 Cb 0.04 -2.26 0.22 0.00 0.00 0.00 0.00 23.12 21.12 1r3b s ALA 97 CO 0.39 -1.42 1.16 -0.51 0.00 0.00 0.00 175.76 175.38 1r3b s ASP 98 N 2.87 2.23 0.00 0.00 1.11 -1.26 -4.15 116.67 117.46 1r3b s ASP 98 Ca 0.17 0.71 0.00 0.00 0.18 0.00 0.00 52.55 53.62 1r3b s ASP 98 Cb -0.14 -1.06 0.00 0.00 1.07 0.00 0.00 42.92 42.79 1r3b s ASP 98 CO -0.21 -3.32 0.00 0.61 1.18 0.00 0.00 175.17 173.43 1r3b n GLY 99 N -1.85 1.17 3.77 0.21 0.00 -1.26 -4.83 105.19 102.40 1r3b n GLY 99 Ca 0.11 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1r3b n GLY 99 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r3b s THR 100 N 0.00 4.95 0.50 2.61 -1.32 -1.26 -4.88 115.64 116.24 1r3b s THR 100 Ca 0.00 1.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.62 1r3b s THR 100 Cb 0.00 -3.88 0.00 0.00 -1.51 0.00 0.00 72.50 67.11 1r3b s THR 100 CO 0.00 0.44 0.00 -3.20 -2.21 0.00 0.00 174.62 169.65 1r3b n ASN 101 N 2.65 -7.78 -2.36 8.08 2.85 -1.26 -4.83 115.26 112.61 1r3b n ASN 101 Ca -0.08 1.36 -0.04 0.00 -0.11 0.00 0.00 54.58 55.71 1r3b n ASN 101 Cb 0.51 -4.35 -0.03 0.00 1.24 0.00 0.00 39.78 37.14 1r3b n ASN 101 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1r3b n ILE 102 N -1.57-11.35 -0.06 -1.44 5.41 -1.26 -4.87 119.36 104.22 1r3b n ILE 102 Ca 0.00 2.39 -0.06 0.00 1.00 0.00 0.00 62.75 66.08 1r3b n ILE 102 Cb 0.18 -5.98 -0.08 0.00 -0.71 0.00 0.00 39.64 33.05 1r3b n ILE 102 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1r3b n LYS 103 N 1.44 1.82 -3.72 0.38 2.85 -1.26 -4.77 118.16 114.90 1r3b n LYS 103 Ca -0.30 0.01 -0.37 0.00 -1.05 0.00 0.00 58.31 56.60 1r3b n LYS 103 Cb 0.47 -1.28 -0.06 0.00 -0.65 0.00 0.00 35.03 33.51 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1r3b s LYS 104 N -2.27 3.64 0.05 -1.58 1.02 -1.26 -5.07 119.74 114.27 1r3b s LYS 104 Ca -0.08 0.09 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 1r3b s LYS 104 Cb 0.04 -3.20 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 1r3b s LYS 104 CO 0.42 0.74 1.23 -1.25 -0.92 0.00 0.00 175.35 175.57 1r3b s PRO 105 N -1.09 4.40 0.07 -1.68 0.04 -1.26 -5.04 135.00 130.44 1r3b s PRO 105 Ca 0.19 1.80 0.10 0.00 0.04 0.00 0.00 61.00 63.13 1r3b s PRO 105 Cb -0.14 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1r3b s PRO 105 CO 0.08 -0.32 -0.26 0.42 0.04 0.00 0.00 177.00 176.96 1r3b s ILE 106 N 1.33 2.15 0.12 0.56 1.01 -1.26 -5.11 121.20 119.99 1r3b s ILE 106 Ca 0.59 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1r3b s ILE 106 Cb -0.30 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1r3b s ILE 106 CO 0.28 0.29 1.08 -1.59 0.00 0.00 0.00 174.94 175.00 1r3b s LYS 107 N -1.45 4.58 -0.11 2.79 -2.85 -1.26 -5.04 119.74 116.41 1r3b s LYS 107 Ca 0.12 1.64 -0.04 0.00 -1.00 0.00 0.00 55.97 56.69 1r3b s LYS 107 Cb -0.10 -3.33 0.05 0.00 -2.06 0.00 0.00 37.83 32.39 1r3b s LYS 107 CO 0.03 0.02 0.22 0.00 0.10 0.00 0.00 175.35 175.72 1r3b n SER 109 N 5.07 0.12 0.41 0.00 7.64 -1.26 -4.77 113.62 120.83 1r3b n SER 109 Ca -0.10 -1.09 -0.16 0.00 1.01 0.00 0.00 58.87 58.52 1r3b n SER 109 Cb 0.50 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b h ALA 110 N 0.15 -1.27 -0.04 -0.43 0.00 -1.87 0.62 119.26 116.41 1r3b h ALA 110 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1r3b h ALA 110 Cb 0.08 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1r3b h ALA 110 CO 0.02 -1.20 0.06 -1.00 0.00 0.00 0.00 179.25 177.13 1r3b h PRO 111 N -1.04 0.00 0.09 0.00 0.13 -1.88 0.31 132.00 129.61 1r3b h PRO 111 Ca -0.10 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.87 1r3b h PRO 111 Cb 0.80 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.94 1r3b h PRO 111 CO 0.16 0.00 -0.74 -0.22 -0.23 0.00 0.00 178.00 176.97 1r3b h LYS 112 N 0.00 0.18 -0.26 0.86 1.63 -1.87 -3.24 116.57 113.87 1r3b h LYS 112 Ca 0.02 -0.31 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 1r3b h LYS 112 Cb 0.13 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1r3b h LYS 112 CO -0.00 1.15 -0.20 -0.92 -3.45 0.00 0.00 179.45 176.03 1r3b h TYR 113 N -0.58 0.51 -0.69 1.91 3.20 0.75 -2.60 116.97 119.46 1r3b h TYR 113 Ca -0.15 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 1r3b h TYR 113 Cb 1.46 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 1r3b h TYR 113 CO 0.20 0.64 0.41 0.97 -1.64 0.00 0.00 178.16 178.74 1r3b h ILE 114 N 0.42 1.20 -0.01 1.81 2.10 -1.07 0.29 117.51 122.24 1r3b h ILE 114 Ca 0.07 -0.44 -0.00 0.00 1.08 0.00 0.00 64.86 65.57 1r3b h ILE 114 Cb 0.59 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 36.54 1r3b h ILE 114 CO 0.04 0.21 -0.00 -0.78 -1.08 0.00 0.00 178.15 176.53 1r3b h ASP 115 N 0.95 0.03 0.02 2.19 1.82 -1.50 -2.40 116.42 117.53 1r3b h ASP 115 Ca 0.25 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 1r3b h ASP 115 Cb -0.03 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1r3b h ASP 115 CO -0.05 0.38 -0.08 1.88 -1.61 0.00 0.00 179.24 179.77 1r3b h TYR 116 N -0.33 0.16 0.08 0.28 0.05 -1.17 0.84 116.97 116.88 1r3b h TYR 116 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1r3b h TYR 116 Cb 0.37 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1r3b h TYR 116 CO 0.05 0.24 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.29 1r3b h LEU 117 N 0.15 -0.10 -0.65 3.88 3.38 -0.21 0.21 115.31 121.97 1r3b h LEU 117 Ca 0.03 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1r3b h LEU 117 Cb 0.24 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1r3b h LEU 117 CO 0.01 -0.01 -0.63 0.24 0.09 0.00 0.00 178.44 178.14 1r3b h MET 118 N -0.17 0.17 0.57 1.13 2.86 -1.09 -3.06 114.93 115.34 1r3b h MET 118 Ca -0.01 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1r3b h MET 118 Cb 0.14 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1r3b h MET 118 CO 0.02 0.75 -0.27 1.15 1.06 0.00 0.00 176.91 179.61 1r3b h THR 119 N 0.13 0.31 -0.98 2.22 2.02 -0.58 0.56 112.91 116.59 1r3b h THR 119 Ca -0.01 -0.33 0.22 0.00 0.77 0.00 0.00 66.41 67.06 1r3b h THR 119 Cb 1.14 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.87 1r3b h THR 119 CO 0.09 0.04 0.63 -0.25 0.37 0.00 0.00 175.52 176.40 1r3b h TRP 120 N -1.01 0.76 -0.03 3.16 7.01 -0.66 0.89 115.95 126.07 1r3b h TRP 120 Ca -0.08 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.91 1r3b h TRP 120 Cb 0.65 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 1r3b h TRP 120 CO 0.00 0.14 -0.13 0.28 -2.79 0.00 0.00 178.44 175.94 1r3b h VAL 121 N 0.52 1.49 0.00 2.65 2.07 -1.42 -3.21 116.25 118.35 1r3b h VAL 121 Ca 0.55 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1r3b h VAL 121 Cb 1.20 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1r3b h VAL 121 CO -0.29 0.44 0.00 -0.61 0.02 0.00 0.00 177.57 177.14 1r3b h GLN 122 N -0.45 0.00 -0.53 1.57 4.15 0.49 -3.18 115.11 117.15 1r3b h GLN 122 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1r3b h GLN 122 Cb 0.79 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.41 1r3b h GLN 122 CO 0.03 0.00 0.15 0.22 -1.93 0.00 0.00 178.83 177.29 1r3b h ASP 123 N 0.00 0.09 -0.07 -0.69 3.58 0.75 0.90 116.42 120.98 1r3b h ASP 123 Ca 0.00 0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.32 1r3b h ASP 123 Cb 0.49 0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.65 1r3b h ASP 123 CO 0.00 0.07 -0.78 1.56 -2.88 0.00 0.00 179.24 177.21 1r3b h GLN 124 N 0.30 0.64 0.00 0.28 7.50 -1.71 0.25 115.11 122.37 1r3b h GLN 124 Ca 0.27 -0.61 0.00 0.00 0.50 0.00 0.00 58.65 58.81 1r3b h GLN 124 Cb 0.34 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1r3b h GLN 124 CO -0.31 1.21 0.00 -0.07 -1.50 0.00 0.00 178.83 178.16 1r3b h LEU 125 N 0.29 0.00 -1.42 1.46 3.38 -1.37 -0.99 115.31 116.66 1r3b h LEU 125 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r3b h LEU 125 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1r3b h LEU 125 CO 0.16 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.02 1r3b n ASP 126 N -2.38 1.56 -3.94 -0.43 2.03 0.31 -4.86 116.55 108.83 1r3b n ASP 126 Ca -0.01 -1.31 -0.30 0.00 0.52 0.00 0.00 54.79 53.69 1r3b n ASP 126 Cb 0.10 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.50 4.31 -0.42 1.67 1.01 0.85 -5.00 116.67 118.58 1r3b s ASP 127 Ca 0.07 -2.94 -0.21 0.00 0.71 0.00 0.00 52.55 50.18 1r3b s ASP 127 Cb 0.04 -1.61 -0.21 0.00 1.01 0.00 0.00 42.92 42.16 1r3b s ASP 127 CO 0.07 -0.24 1.72 -1.84 0.21 0.00 0.00 175.17 175.08 1r3b n GLU 128 N 3.21 0.86 0.00 8.23 0.00 -1.26 -2.64 120.64 129.04 1r3b n GLU 128 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 57.16 55.87 1r3b n GLU 128 Cb 0.33 -2.61 0.00 0.00 0.00 0.00 0.00 31.44 29.16 1r3b n GLU 128 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1r3b n THR 129 N 6.03 0.00 1.88 3.84 -2.24 -1.26 -4.84 114.28 117.69 1r3b n THR 129 Ca 0.42 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.36 1r3b n THR 129 Cb 0.33 -0.13 0.88 0.00 -2.10 0.00 0.00 70.33 69.30 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n LEU 130 N -2.10 0.18 -3.03 3.22 -0.00 -1.08 -4.00 117.00 110.19 1r3b n LEU 130 Ca 0.00 -0.03 -0.24 0.00 -0.00 0.00 0.00 56.01 55.74 1r3b n LEU 130 Cb 0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 43.42 43.35 1r3b n LEU 130 CO 0.00 0.03 0.01 0.49 -0.00 0.00 0.00 177.39 177.92 1r3b n PHE 131 N -0.89 2.60 -1.24 1.47 3.72 -1.26 -4.47 117.46 117.39 1r3b n PHE 131 Ca 0.22 -3.93 0.00 0.00 -0.05 0.00 0.00 57.45 53.69 1r3b n PHE 131 Cb 0.15 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 1r3b n PHE 131 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r3b n PRO 132 N -0.05 1.58 -1.52 -1.08 -0.04 -1.26 -4.99 135.00 127.64 1r3b n PRO 132 Ca 0.29 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.39 1r3b n PRO 132 Cb 0.49 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.04 1r3b n PRO 132 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1r3b n SER 133 N -0.80 1.70 -4.27 3.54 7.64 -1.26 -4.97 113.62 115.20 1r3b n SER 133 Ca 0.00 0.75 -0.42 0.00 1.01 0.00 0.00 58.87 60.21 1r3b n SER 133 Cb 0.00 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 61.58 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 -3.60 2.65 -0.19 1.43 2.36 -1.26 -4.82 119.74 116.31 1r3b s LYS 134 Ca 0.80 -1.60 -0.00 0.00 -2.55 0.00 0.00 55.97 52.61 1r3b s LYS 134 Cb -0.35 -3.95 0.05 0.00 -1.05 0.00 0.00 37.83 32.52 1r3b s LYS 134 CO 0.44 -1.11 -0.05 0.42 1.55 0.00 0.00 175.35 176.60 1r3b s ILE 135 N 1.45 1.22 0.00 5.43 1.01 -1.26 -5.02 121.20 124.03 1r3b s ILE 135 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1r3b s ILE 135 Cb -0.25 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1r3b s ILE 135 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1r3b n GLY 136 N 4.82 0.32 3.69 6.18 0.00 -1.26 -4.71 105.19 114.23 1r3b n GLY 136 Ca -0.12 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 1r3b n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r3b s VAL 137 N 0.00 2.10 1.10 1.61 -7.23 -1.26 -4.97 120.40 111.75 1r3b s VAL 137 Ca 0.00 0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.04 1r3b s VAL 137 Cb 0.00 -2.35 0.11 0.00 0.56 0.00 0.00 36.38 34.70 1r3b s VAL 137 CO 0.00 -0.04 0.17 -0.81 -0.31 0.00 0.00 175.10 174.12 1r3b n PRO 138 N -3.53 -1.45 0.30 4.82 -0.04 -1.26 -4.93 135.00 128.92 1r3b n PRO 138 Ca 0.13 -0.40 -0.17 0.00 -0.04 0.00 0.00 63.50 63.02 1r3b n PRO 138 Cb 0.51 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 1r3b n PRO 138 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1r3b h PHE 139 N -2.04 -0.67 0.00 0.54 -1.00 -1.90 -3.41 116.94 108.46 1r3b h PHE 139 Ca -0.53 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.24 1r3b h PHE 139 Cb 1.34 0.22 0.00 0.00 3.61 0.00 0.00 35.95 41.13 1r3b h PHE 139 CO 0.21 -0.42 -0.20 -0.35 -1.61 0.00 0.00 178.31 175.94 1r3b n PRO 140 N -5.40 0.12 0.00 1.51 -0.04 -1.26 -4.88 135.00 125.05 1r3b n PRO 140 Ca -0.12 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1r3b n PRO 140 Cb 0.30 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -2.91 0.00 -2.27 0.54 5.02 -1.26 -4.98 118.16 112.30 1r3b n LYS 141 Ca -0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 1r3b n LYS 141 Cb 0.10 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.12 1r3b n LYS 141 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r3b n ASN 142 N 0.00 4.91 -0.24 4.39 3.02 -1.26 -4.82 115.26 121.25 1r3b n ASN 142 Ca 0.00 -3.74 -0.06 0.00 -0.03 0.00 0.00 54.58 50.76 1r3b n ASN 142 Cb 0.00 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 38.78 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1r3b h PHE 143 N 2.42 0.86 -0.24 3.10 3.57 -1.94 1.55 116.94 126.27 1r3b h PHE 143 Ca 0.34 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.65 1r3b h PHE 143 Cb 1.15 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1r3b h PHE 143 CO 0.85 0.57 -0.63 1.98 -2.23 0.00 0.00 178.31 178.84 1r3b h MET 144 N 0.91 0.84 -0.17 1.11 4.05 -1.98 0.22 114.93 119.91 1r3b h MET 144 Ca 0.24 -0.58 -0.22 0.00 -0.28 0.00 0.00 59.70 58.86 1r3b h MET 144 Cb -0.07 0.09 0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1r3b h MET 144 CO -0.05 1.21 -0.76 1.03 0.23 0.00 0.00 176.91 178.57 1r3b h SER 145 N 0.62 0.96 -0.25 1.39 0.87 -1.85 -2.80 113.55 112.48 1r3b h SER 145 Ca -0.01 -0.62 -0.16 0.00 -1.23 0.00 0.00 61.79 59.77 1r3b h SER 145 Cb 1.25 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1r3b h SER 145 CO 0.14 1.42 -0.46 1.62 -0.53 0.00 0.00 176.83 179.02 1r3b h VAL 146 N 0.56 1.30 -0.37 2.23 3.04 0.22 -2.50 116.25 120.73 1r3b h VAL 146 Ca -0.05 -1.66 0.05 0.00 -1.01 0.00 0.00 66.70 64.03 1r3b h VAL 146 Cb 1.39 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 32.39 1r3b h VAL 146 CO 0.16 0.53 0.25 0.00 -1.01 0.00 0.00 177.57 177.50 1r3b h ALA 147 N 0.64 1.96 0.06 3.17 0.00 -0.59 0.32 119.26 124.82 1r3b h ALA 147 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r3b h ALA 147 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1r3b h ALA 147 CO 0.10 -0.03 -0.03 0.87 0.00 0.00 0.00 179.25 180.17 1r3b h LYS 148 N 0.31 -0.08 0.00 0.00 1.79 -1.38 -2.76 116.57 114.45 1r3b h LYS 148 Ca 0.16 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1r3b h LYS 148 Cb 0.25 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1r3b h LYS 148 CO -0.03 0.52 -0.14 0.00 -1.08 0.00 0.00 179.45 178.71 1r3b h THR 149 N -0.87 0.66 -0.05 -0.16 1.03 -1.17 -0.99 112.91 111.36 1r3b h THR 149 Ca -0.01 -0.60 -0.11 0.00 -0.01 0.00 0.00 66.41 65.68 1r3b h THR 149 Cb 0.63 1.37 0.01 0.00 -1.07 0.00 0.00 68.15 69.09 1r3b h THR 149 CO 0.01 0.14 -0.40 -0.29 -0.01 0.00 0.00 175.52 174.97 1r3b h ILE 150 N 0.00 1.43 -0.02 0.00 2.10 -0.43 -1.44 117.51 119.15 1r3b h ILE 150 Ca -0.00 -1.84 -0.14 0.00 1.08 0.00 0.00 64.86 63.96 1r3b h ILE 150 Cb 0.36 2.42 -0.02 0.00 -1.09 0.00 0.00 36.82 38.50 1r3b h ILE 150 CO 0.02 0.53 -0.64 0.17 -1.08 0.00 0.00 178.15 177.15 1r3b h LEU 151 N -0.15 0.09 -0.19 2.19 8.10 -1.29 -1.36 115.31 122.71 1r3b h LEU 151 Ca -0.04 -0.05 -0.22 0.00 0.11 0.00 0.00 57.88 57.68 1r3b h LEU 151 Cb 1.07 -0.03 0.01 0.00 -0.44 0.00 0.00 40.66 41.28 1r3b h LEU 151 CO 0.08 0.70 -0.83 0.50 -4.11 0.00 0.00 178.44 174.79 1r3b h LYS 152 N 0.05 0.67 -0.07 0.17 3.64 -1.23 -2.76 116.57 117.04 1r3b h LYS 152 Ca -0.01 -0.58 -0.11 0.00 -1.27 0.00 0.00 60.65 58.68 1r3b h LYS 152 Cb 1.14 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1r3b h LYS 152 CO 0.09 1.20 -0.39 0.00 -2.27 0.00 0.00 179.45 178.07 1r3b h ARG 153 N 0.44 0.39 -0.67 1.90 2.47 -1.22 -2.40 114.38 115.28 1r3b h ARG 153 Ca -0.06 -0.33 0.04 0.00 -1.26 0.00 0.00 59.98 58.37 1r3b h ARG 153 Cb 1.45 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.80 1r3b h ARG 153 CO 0.16 0.97 0.44 -0.07 0.56 0.00 0.00 179.97 182.04 1r3b h LEU 154 N -0.09 0.68 -0.42 3.04 3.38 -1.33 -1.52 115.31 119.06 1r3b h LEU 154 Ca -0.03 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 1r3b h LEU 154 Cb 1.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1r3b h LEU 154 CO 0.08 0.47 -0.79 0.15 0.09 0.00 0.00 178.44 178.44 1r3b h PHE 155 N 0.79 0.09 0.15 1.13 3.57 -1.50 -3.23 116.94 117.94 1r3b h PHE 155 Ca 0.27 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1r3b h PHE 155 Cb 0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1r3b h PHE 155 CO -0.00 0.83 -0.21 -0.09 -2.23 0.00 0.00 178.31 176.61 1r3b h ARG 156 N 0.04 -0.40 -0.72 1.11 9.65 -0.74 -1.94 114.38 121.38 1r3b h ARG 156 Ca -0.02 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1r3b h ARG 156 Cb 1.39 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 30.02 1r3b h ARG 156 CO 0.11 -0.27 0.47 -0.39 2.80 0.00 0.00 179.97 182.69 1r3b h VAL 157 N -0.42 1.09 -0.12 0.20 -1.51 -1.62 -2.37 116.25 111.51 1r3b h VAL 157 Ca 0.02 -0.29 0.03 0.00 -1.23 0.00 0.00 66.70 65.22 1r3b h VAL 157 Cb 0.42 0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 29.72 1r3b h VAL 157 CO -0.09 0.15 -0.06 0.22 -1.23 0.00 0.00 177.57 176.56 1r3b h TYR 158 N 0.85 -0.13 0.01 5.19 3.20 -1.41 -1.53 116.97 123.14 1r3b h TYR 158 Ca 0.29 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1r3b h TYR 158 Cb 0.09 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1r3b h TYR 158 CO -0.00 -0.09 -0.00 0.00 -1.64 0.00 0.00 178.16 176.42 1r3b h ALA 159 N 1.07 -0.01 0.32 1.82 0.00 -0.89 0.05 119.26 121.62 1r3b h ALA 159 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r3b h ALA 159 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r3b h ALA 159 CO -0.15 -0.45 -0.36 0.45 0.00 0.00 0.00 179.25 178.74 1r3b h HIS 160 N -0.13 -0.97 -0.82 0.00 3.86 -1.32 0.28 115.15 116.07 1r3b h HIS 160 Ca -0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r3b h HIS 160 Cb 0.12 0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 1r3b h HIS 160 CO -0.04 -0.50 0.49 -0.84 0.86 0.00 0.00 177.93 177.91 1r3b h ILE 161 N -0.72 1.23 0.19 2.45 -0.00 -1.31 0.92 117.51 120.27 1r3b h ILE 161 Ca -0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 64.86 64.35 1r3b h ILE 161 Cb 0.66 0.08 -0.02 0.00 -0.00 0.00 0.00 36.82 37.54 1r3b h ILE 161 CO -0.08 0.24 -0.19 0.22 -0.00 0.00 0.00 178.15 178.33 1r3b h TYR 162 N 1.12 -0.51 -0.01 0.16 3.20 -0.67 0.92 116.97 121.18 1r3b h TYR 162 Ca 0.29 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 1r3b h TYR 162 Cb -0.04 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1r3b h TYR 162 CO -0.00 -0.29 -0.61 0.45 -1.64 0.00 0.00 178.16 176.07 1r3b h HIS 163 N -0.42 0.06 0.26 -3.82 3.86 -0.75 -2.78 115.15 111.57 1r3b h HIS 163 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1r3b h HIS 163 Cb 0.39 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1r3b h HIS 163 CO -0.15 0.64 -0.13 1.96 0.86 0.00 0.00 177.93 181.11 1r3b h GLN 164 N 0.03 -0.34 -2.47 2.45 1.08 0.14 -3.38 115.11 112.61 1r3b h GLN 164 Ca -0.01 0.02 -0.73 0.00 -1.45 0.00 0.00 58.65 56.49 1r3b h GLN 164 Cb 1.08 0.08 -0.33 0.00 -0.05 0.00 0.00 27.48 28.26 1r3b h GLN 164 CO 0.08 -0.23 0.32 0.72 -0.95 0.00 0.00 178.83 178.77 1r3b n HIS 165 N -4.17 2.99 -0.06 2.96 -0.00 0.31 -4.81 115.22 112.44 1r3b n HIS 165 Ca -0.04 -3.15 -0.12 0.00 -0.00 0.00 0.00 57.72 54.41 1r3b n HIS 165 Cb 0.14 -0.96 -0.06 0.00 -0.00 0.00 0.00 29.99 29.11 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 4.42 0.38 -0.79 4.41 3.04 -1.63 -3.04 116.94 123.72 1r3b h PHE 166 Ca 0.28 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1r3b h PHE 166 Cb 0.53 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.91 1r3b h PHE 166 CO 1.01 0.61 0.50 0.22 -2.02 0.00 0.00 178.31 178.63 1r3b h ASP 167 N 0.04 0.93 -0.69 0.41 1.82 -1.88 -2.10 116.42 114.96 1r3b h ASP 167 Ca 0.04 -0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1r3b h ASP 167 Cb 0.49 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 1r3b h ASP 167 CO 0.02 0.70 0.46 0.00 -1.61 0.00 0.00 179.24 178.81 1r3b h ALA 168 N 1.27 1.97 0.26 -0.78 0.00 -1.93 0.66 119.26 120.71 1r3b h ALA 168 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1r3b h ALA 168 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1r3b h ALA 168 CO -0.06 -0.13 -0.12 0.28 0.00 0.00 0.00 179.25 179.22 1r3b h VAL 169 N 0.49 0.79 -0.05 0.00 2.07 -1.27 -2.89 116.25 115.39 1r3b h VAL 169 Ca 0.32 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 1r3b h VAL 169 Cb 0.60 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1r3b h VAL 169 CO -0.10 0.07 -0.62 0.00 0.02 0.00 0.00 177.57 176.93 1r3b h MET 170 N -0.50 0.20 -0.43 1.57 -0.00 -1.33 -3.03 114.93 111.41 1r3b h MET 170 Ca -0.04 -0.14 0.12 0.00 -0.00 0.00 0.00 59.70 59.65 1r3b h MET 170 Cb 0.37 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 31.98 1r3b h MET 170 CO 0.06 0.75 0.33 1.96 -0.00 0.00 0.00 176.91 180.01 1r3b h GLN 171 N 0.15 0.00 0.00 -0.10 1.08 0.41 0.43 115.11 117.08 1r3b h GLN 171 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1r3b h GLN 171 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1r3b h GLN 171 CO 0.09 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.25 1r3b n LEU 172 N -4.29 0.00 -1.69 1.46 4.77 -1.10 -4.88 117.00 111.28 1r3b n LEU 172 Ca 0.07 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1r3b n LEU 172 Cb 0.52 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1r3b n LEU 172 CO 0.35 -0.07 0.02 1.67 -1.33 0.00 0.00 177.39 178.03 1r3b n GLN 173 N -1.28 -2.70 -2.68 3.23 0.00 0.15 -4.94 117.38 109.16 1r3b n GLN 173 Ca 0.11 0.44 -0.05 0.00 -0.00 0.00 0.00 57.00 57.50 1r3b n GLN 173 Cb 0.18 -4.32 0.08 0.00 0.00 0.00 0.00 30.24 26.18 1r3b n GLN 173 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1r3b n GLU 174 N -2.43 0.30 0.14 3.69 0.28 -1.26 -5.01 120.64 116.36 1r3b n GLU 174 Ca -0.04 -0.95 0.02 0.00 -0.16 0.00 0.00 57.16 56.02 1r3b n GLU 174 Cb 0.55 -0.45 0.05 0.00 1.43 0.00 0.00 31.44 33.02 1r3b n GLU 174 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1r3b h GLU 175 N 2.98 0.00 -0.55 3.44 4.81 -1.84 -3.24 114.58 120.18 1r3b h GLU 175 Ca -0.24 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.16 1r3b h GLU 175 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1r3b h GLU 175 CO -0.04 0.55 0.42 0.00 -0.73 0.00 0.00 179.01 179.20 1r3b h ALA 176 N 1.45 2.48 -0.77 2.92 0.00 -1.95 -0.01 119.26 123.39 1r3b h ALA 176 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1r3b h ALA 176 Cb 1.37 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1r3b h ALA 176 CO 0.07 -0.70 0.51 1.25 0.00 0.00 0.00 179.25 180.38 1r3b h HIS 177 N 0.00 0.81 0.01 0.00 -0.00 -1.97 0.58 115.15 114.57 1r3b h HIS 177 Ca 0.26 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1r3b h HIS 177 Cb 1.09 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 1r3b h HIS 177 CO 0.00 0.41 -0.00 1.25 -0.00 0.00 0.00 177.93 179.59 1r3b h LEU 178 N 0.78 -0.01 -0.65 0.26 6.46 -1.24 -3.08 115.31 117.84 1r3b h LEU 178 Ca 0.34 -0.82 0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1r3b h LEU 178 Cb 0.32 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 1r3b h LEU 178 CO -0.12 0.89 0.37 -1.13 -0.62 0.00 0.00 178.44 177.82 1r3b h ASN 179 N -0.97 0.56 -0.38 1.25 -0.73 -1.24 0.29 115.58 114.36 1r3b h ASN 179 Ca -0.00 0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.22 1r3b h ASN 179 Cb 0.83 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.30 1r3b h ASN 179 CO 0.00 0.37 0.20 0.00 -0.37 0.00 0.00 177.43 177.64 1r3b h THR 180 N 0.70 1.00 -0.07 -3.57 1.03 0.03 -1.61 112.91 110.42 1r3b h THR 180 Ca 0.28 -0.14 -0.07 0.00 -0.01 0.00 0.00 66.41 66.47 1r3b h THR 180 Cb 0.14 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 67.75 1r3b h THR 180 CO -0.16 0.08 -0.29 -1.28 -0.01 0.00 0.00 175.52 173.86 1r3b h SER 181 N 0.41 0.12 -0.80 0.00 0.87 -1.34 -2.77 113.55 110.05 1r3b h SER 181 Ca 0.16 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1r3b h SER 181 Cb 0.05 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1r3b h SER 181 CO -0.10 0.41 0.41 0.15 -0.53 0.00 0.00 176.83 177.17 1r3b h PHE 182 N 0.11 1.12 -0.96 2.24 3.04 -0.01 -2.27 116.94 120.20 1r3b h PHE 182 Ca 0.02 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.94 1r3b h PHE 182 Cb 0.58 -0.35 -0.05 0.00 2.56 0.00 0.00 35.95 38.68 1r3b h PHE 182 CO 0.00 0.80 0.63 -0.22 -2.02 0.00 0.00 178.31 177.51 1r3b h LYS 183 N 1.12 1.24 -0.67 1.11 3.64 -1.11 -2.14 116.57 119.75 1r3b h LYS 183 Ca 0.28 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1r3b h LYS 183 Cb 0.08 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1r3b h LYS 183 CO -0.04 0.82 0.23 1.25 -2.27 0.00 0.00 179.45 179.44 1r3b h HIS 184 N 1.28 1.06 -0.08 1.91 2.76 -1.43 0.22 115.15 120.87 1r3b h HIS 184 Ca 0.36 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.45 1r3b h HIS 184 Cb -0.11 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.53 1r3b h HIS 184 CO -0.00 0.85 0.08 0.74 -1.30 0.00 0.00 177.93 178.29 1r3b h PHE 185 N 0.97 0.00 0.00 5.26 0.04 -0.84 -0.32 116.94 122.04 1r3b h PHE 185 Ca 0.22 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.76 1r3b h PHE 185 Cb 0.26 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1r3b h PHE 185 CO 0.02 0.00 -1.33 -0.89 -0.60 0.00 0.00 178.31 175.51 1r3b n ILE 186 N -3.97 1.52 -0.34 -0.55 -0.00 -0.76 -3.83 119.36 111.43 1r3b n ILE 186 Ca -0.01 -0.04 0.10 0.00 -0.00 0.00 0.00 62.75 62.80 1r3b n ILE 186 Cb 0.18 -2.07 0.27 0.00 -0.00 0.00 0.00 39.64 38.02 1r3b n ILE 186 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1r3b h PHE 187 N -1.00 0.99 -0.26 1.39 3.04 -0.41 0.40 116.94 121.08 1r3b h PHE 187 Ca -0.35 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.62 1r3b h PHE 187 Cb 1.24 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 1r3b h PHE 187 CO 0.02 0.26 0.09 0.35 -2.02 0.00 0.00 178.31 177.01 1r3b h PHE 188 N 0.77 0.36 0.62 0.41 3.57 -1.24 -2.44 116.94 118.99 1r3b h PHE 188 Ca 0.52 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.99 1r3b h PHE 188 Cb 0.73 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.36 1r3b h PHE 188 CO -0.03 0.31 -0.30 0.28 -2.23 0.00 0.00 178.31 176.34 1r3b h VAL 189 N 0.37 0.22 -0.60 1.41 2.07 -0.33 -2.57 116.25 116.83 1r3b h VAL 189 Ca 0.09 -0.31 0.17 0.00 0.82 0.00 0.00 66.70 67.47 1r3b h VAL 189 Cb 0.11 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1r3b h VAL 189 CO -0.01 0.03 0.44 1.56 0.02 0.00 0.00 177.57 179.61 1r3b h GLN 190 N -1.08 0.00 0.31 1.57 7.50 -1.27 3.06 115.11 125.20 1r3b h GLN 190 Ca -0.09 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.05 1r3b h GLN 190 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.22 1r3b h GLN 190 CO 0.14 0.00 -0.15 0.93 -1.50 0.00 0.00 178.83 178.25 1r3b h GLU 191 N 0.00 -0.41 0.00 1.46 4.39 -1.26 -3.35 114.58 115.41 1r3b h GLU 191 Ca 0.28 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1r3b h GLU 191 Cb 1.17 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1r3b h GLU 191 CO -0.00 -0.08 -0.24 1.19 -1.16 0.00 0.00 179.01 178.72 1r3b n PHE 192 N -5.12 0.00 0.00 4.33 3.01 -0.90 -4.89 117.46 113.89 1r3b n PHE 192 Ca -0.09 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.17 1r3b n PHE 192 Cb 0.27 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1r3b n PHE 192 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1r3b n ASN 193 N -1.26 0.00 -1.77 4.37 4.13 0.98 -5.00 115.26 116.71 1r3b n ASN 193 Ca 0.17 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.26 1r3b n ASN 193 Cb 0.67 0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.90 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1r3b n LEU 194 N -1.42 -1.35 -4.78 3.41 0.00 0.14 -4.86 117.00 108.14 1r3b n LEU 194 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 56.01 56.03 1r3b n LEU 194 Cb 0.00 -2.49 0.09 0.00 0.00 0.00 0.00 43.42 41.02 1r3b n LEU 194 CO 0.00 -0.69 0.70 0.27 0.00 0.00 0.00 177.39 177.67 1r3b s ILE 195 N -2.57 3.25 0.00 1.96 -5.25 -1.26 -4.98 121.20 112.34 1r3b s ILE 195 Ca 0.00 0.41 0.00 0.00 -0.99 0.00 0.00 60.65 60.07 1r3b s ILE 195 Cb 0.00 -3.03 0.00 0.00 2.95 0.00 0.00 42.46 42.38 1r3b s ILE 195 CO 0.00 -0.53 0.21 0.47 -1.79 0.00 0.00 174.94 173.30 1r3b n ASP 196 N -3.49 0.00 -0.77 4.36 8.00 -1.26 -4.84 116.55 118.55 1r3b n ASP 196 Ca 0.08 0.21 -0.04 0.00 0.71 0.00 0.00 54.79 55.75 1r3b n ASP 196 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 1r3b n ASP 196 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1r3b n ARG 197 N -0.31 0.00 0.25 -1.24 -4.01 -1.26 -4.89 116.66 105.20 1r3b n ARG 197 Ca 0.00 -0.59 -0.15 0.00 -1.04 0.00 0.00 57.85 56.07 1r3b n ARG 197 Cb 0.00 0.43 -0.08 0.00 -3.04 0.00 0.00 32.46 29.77 1r3b n ARG 197 CO 0.00 0.00 0.00 -0.09 -3.04 0.00 0.00 177.63 174.50 1r3b h ARG 198 N 0.00 -0.61 0.00 2.89 2.43 -1.99 -2.60 114.38 114.49 1r3b h ARG 198 Ca -0.34 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1r3b h ARG 198 Cb 1.06 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1r3b h ARG 198 CO -0.17 -0.31 -1.08 -0.85 -1.51 0.00 0.00 179.97 176.05 1r3b n GLU 199 N -5.27 0.47 -1.02 0.20 0.28 -1.26 -4.00 120.64 110.03 1r3b n GLU 199 Ca -0.11 0.04 -0.18 0.00 -0.16 0.00 0.00 57.16 56.75 1r3b n GLU 199 Cb 0.30 -1.70 0.17 0.00 1.43 0.00 0.00 31.44 31.65 1r3b n GLU 199 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1r3b n LEU 200 N -2.32 6.09 0.18 -1.84 4.77 -1.24 -4.58 117.00 118.06 1r3b n LEU 200 Ca 0.01 -3.23 -0.14 0.00 -0.03 0.00 0.00 56.01 52.61 1r3b n LEU 200 Cb 0.50 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1r3b n LEU 200 CO 0.40 0.93 0.76 0.00 -1.33 0.00 0.00 177.39 178.16 1r3b h ALA 201 N 1.38 -0.38 -0.84 -1.18 0.00 -1.59 -3.34 119.26 113.30 1r3b h ALA 201 Ca 0.50 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.68 1r3b h ALA 201 Cb 2.53 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 20.39 1r3b h ALA 201 CO 0.90 -0.70 2.00 -1.25 0.00 0.00 0.00 179.25 180.20 1r3b s PRO 202 N -6.01 3.77 0.00 0.00 0.04 -1.26 -3.47 135.00 128.07 1r3b s PRO 202 Ca -0.15 -1.81 0.00 0.00 0.04 0.00 0.00 61.00 59.08 1r3b s PRO 202 Cb 0.05 -5.49 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1r3b s PRO 202 CO 0.64 -2.46 0.00 1.47 0.04 0.00 0.00 177.00 176.68 1r3b n LEU 203 N 9.18 0.00 0.22 -3.56 -0.00 -1.26 -4.91 117.00 116.68 1r3b n LEU 203 Ca 0.47 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.57 1r3b n LEU 203 Cb 0.47 0.00 0.50 0.00 -0.00 0.00 0.00 43.42 44.39 1r3b n LEU 203 CO 0.75 0.00 0.82 -0.61 -0.00 0.00 0.00 177.39 178.34 1r3b h GLN 204 N 0.00 0.00 0.00 1.47 4.15 -1.68 -3.12 115.11 115.93 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1r3b h GLN 204 CO 0.00 0.24 -0.00 0.93 -1.93 0.00 0.00 178.83 178.07 1r3b h GLU 205 N 0.00 -0.01 -0.86 1.69 3.07 -1.91 -3.26 114.58 113.30 1r3b h GLU 205 Ca -0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1r3b h GLU 205 Cb 0.65 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.50 1r3b h GLU 205 CO 0.03 0.79 0.55 1.37 -1.40 0.00 0.00 179.01 180.35 1r3b h LEU 206 N -0.82 0.69 -0.66 1.33 8.10 -1.92 0.32 115.31 122.36 1r3b h LEU 206 Ca -0.00 0.03 0.02 0.00 0.11 0.00 0.00 57.88 58.04 1r3b h LEU 206 Cb 0.80 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 40.87 1r3b h LEU 206 CO 0.00 0.38 0.42 0.40 -4.11 0.00 0.00 178.44 175.53 1r3b h ILE 207 N 0.75 1.12 0.07 0.15 1.08 -1.63 0.51 117.51 119.55 1r3b h ILE 207 Ca 0.41 -0.29 -0.26 0.00 -0.39 0.00 0.00 64.86 64.33 1r3b h ILE 207 Cb 0.55 0.21 0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1r3b h ILE 207 CO -0.18 0.15 -1.05 -0.33 -0.69 0.00 0.00 178.15 176.06 1r3b h GLU 208 N 0.84 0.59 -0.53 2.37 5.08 -1.28 -3.27 114.58 118.38 1r3b h GLU 208 Ca 0.25 -0.73 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 1r3b h GLU 208 Cb -0.04 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1r3b h GLU 208 CO -0.08 1.31 0.12 -0.22 -1.00 0.00 0.00 179.01 179.14 1r3b h LYS 209 N 0.20 0.81 -0.40 2.33 1.63 -0.18 -2.38 116.57 118.57 1r3b h LYS 209 Ca -0.15 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1r3b h LYS 209 Cb 1.73 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.22 1r3b h LYS 209 CO 0.20 0.74 0.27 1.25 -3.45 0.00 0.00 179.45 178.46 1r3b h LEU 210 N 0.78 0.35 0.00 5.20 5.85 -0.04 -3.48 115.31 123.97 1r3b h LEU 210 Ca 0.17 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1r3b h LEU 210 Cb 0.30 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1r3b h LEU 210 CO -0.00 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 178.95 1r3b n GLY 211 N -1.50 0.39 3.55 3.75 0.00 -0.90 -5.03 105.19 105.44 1r3b n GLY 211 Ca 0.04 -1.60 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 1r3b n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 212 N 0.00 2.04 -3.83 1.61 7.64 -1.26 -4.73 113.62 115.10 1r3b n SER 212 Ca 0.00 -2.46 -0.20 0.00 1.01 0.00 0.00 58.87 57.22 1r3b n SER 212 Cb 0.00 -0.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.70 1r3b n SER 212 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1r3b s LYS 213 N -4.34 0.60 -0.03 1.43 2.36 -1.26 -5.14 119.74 113.35 1r3b s LYS 213 Ca 0.51 0.03 -0.14 0.00 -2.55 0.00 0.00 55.97 53.81 1r3b s LYS 213 Cb -0.04 -0.79 -0.05 0.00 -1.05 0.00 0.00 37.83 35.90 1r3b s LYS 213 CO 0.32 -0.18 0.39 0.34 1.55 0.00 0.00 175.35 177.77 1r3b s ASP 214 N 1.35 6.74 0.00 1.43 2.15 -1.26 -5.34 116.67 121.74 1r3b s ASP 214 Ca -0.05 0.88 0.28 0.00 0.43 0.00 0.00 52.55 54.10 1r3b s ASP 214 Cb -0.13 -2.24 1.09 0.00 -0.30 0.00 0.00 42.92 41.34 1r3b s ASP 214 CO -0.02 0.28 1.77 0.54 -0.17 0.00 0.00 175.17 177.57