#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 0.69 -0.08 1.61 0.15 -1.26 -5.06 113.70 109.75 1why s SER 75 Ca 0.00 -0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 1why s SER 75 Cb 0.00 -0.16 -0.24 0.00 -1.71 0.00 0.00 66.02 63.91 1why s SER 75 CO 0.00 0.03 0.97 -1.28 1.20 0.00 0.00 173.24 174.16 1why h SER 76 N 6.35 0.07 -3.89 5.45 0.87 -2.15 -3.50 113.55 116.76 1why h SER 76 Ca -0.32 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.44 1why h SER 76 Cb 1.18 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1why h SER 76 CO 0.49 0.86 -0.75 0.61 -0.53 0.00 0.00 176.83 177.51 1why n GLY 77 N 1.09 -3.79 3.27 5.77 0.00 -1.26 -5.05 105.19 105.22 1why n GLY 77 Ca -0.10 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1why n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why s SER 78 N -4.86 -0.28 -0.15 1.61 0.01 -1.26 -5.16 113.70 103.61 1why s SER 78 Ca 0.00 0.30 -0.08 0.00 1.31 0.00 0.00 55.95 57.48 1why s SER 78 Cb 0.00 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.73 1why s SER 78 CO 0.00 -0.38 0.35 -0.94 0.41 0.00 0.00 173.24 172.68 1why s SER 79 N -0.95 -0.37 0.00 2.44 1.04 -1.26 -5.09 113.70 109.51 1why s SER 79 Ca -0.10 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1why s SER 79 Cb -0.04 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1why s SER 79 CO 0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1why n GLY 80 N 4.38 1.39 3.86 7.32 0.00 -1.26 -5.16 105.19 115.72 1why n GLY 80 Ca -0.22 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1why n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1why s LYS 81 N 0.00 3.33 -0.27 1.61 1.02 -1.26 -5.03 119.74 119.14 1why s LYS 81 Ca 0.00 -0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.55 1why s LYS 81 Cb 0.00 -3.05 -0.13 0.00 -0.52 0.00 0.00 37.83 34.13 1why s LYS 81 CO 0.00 0.70 -0.30 -0.89 -0.92 0.00 0.00 175.35 173.94 1why n ILE 82 N 1.39 1.53 0.00 2.17 2.08 -1.26 -5.12 119.36 120.15 1why n ILE 82 Ca -0.15 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.79 1why n ILE 82 Cb 0.53 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 1why n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1why n GLY 83 N 1.32 -0.68 3.60 7.39 0.00 -1.26 -5.15 105.19 110.42 1why n GLY 83 Ca -0.52 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 1why n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1why s TYR 84 N -0.55 -0.12 0.00 1.61 -0.85 -1.26 -5.08 117.35 111.10 1why s TYR 84 Ca 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 1why s TYR 84 Cb 0.00 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.87 1why s TYR 84 CO 0.00 -0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.17 1why n GLY 85 N -0.23 0.58 3.10 5.49 0.00 -1.26 -5.11 105.19 107.76 1why n GLY 85 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1why n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1why s LYS 86 N 0.00 2.65 -0.05 1.61 1.02 -1.26 -5.06 119.74 118.65 1why s LYS 86 Ca 0.00 -2.58 0.05 0.00 0.02 0.00 0.00 55.97 53.46 1why s LYS 86 Cb 0.00 -3.77 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 1why s LYS 86 CO 0.00 -1.18 -0.21 0.00 -0.92 0.00 0.00 175.35 173.04 1why s ALA 87 N -0.15 1.82 0.19 5.17 0.00 -1.26 -5.10 121.76 122.43 1why s ALA 87 Ca 0.18 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 1why s ALA 87 Cb -0.19 -0.58 -0.16 0.00 0.00 0.00 0.00 23.12 22.18 1why s ALA 87 CO -0.04 0.34 0.51 -1.71 0.00 0.00 0.00 175.76 174.86 1why n ASN 88 N 3.07 -1.18 -4.77 0.00 2.85 -1.26 -4.81 115.26 109.16 1why n ASN 88 Ca -0.18 1.09 -0.31 0.00 -0.11 0.00 0.00 54.58 55.07 1why n ASN 88 Cb 0.52 -0.91 0.08 0.00 1.24 0.00 0.00 39.78 40.72 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1why s PRO 89 N -0.94 2.33 -0.19 1.20 0.04 -1.26 -4.71 135.00 131.47 1why s PRO 89 Ca 0.62 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1why s PRO 89 Cb -0.90 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 31.88 1why s PRO 89 CO 0.54 -1.59 1.10 -0.08 0.04 0.00 0.00 177.00 177.01 1why s THR 90 N -2.81 0.00 0.31 1.26 -1.32 -1.26 -4.66 115.64 107.15 1why s THR 90 Ca 0.62 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.10 1why s THR 90 Cb -0.18 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.09 1why s THR 90 CO 0.54 0.00 1.94 0.71 -2.21 0.00 0.00 174.62 175.60 1why h THR 91 N 2.37 1.12 -3.19 5.08 1.35 -1.84 -3.40 112.91 114.39 1why h THR 91 Ca -0.15 -0.35 -0.58 0.00 -0.55 0.00 0.00 66.41 64.77 1why h THR 91 Cb 1.17 -0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.52 1why h THR 91 CO 0.28 0.19 0.62 -0.60 -0.25 0.00 0.00 175.52 175.76 1why s ARG 92 N -5.88 4.24 0.11 4.72 3.52 -1.26 -2.62 118.95 121.78 1why s ARG 92 Ca -0.11 1.16 0.08 0.00 -0.13 0.00 0.00 55.73 56.73 1why s ARG 92 Cb 0.19 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 1why s ARG 92 CO 0.79 -0.54 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.08 1why s LEU 93 N 2.90 2.81 -0.02 -0.88 1.43 -0.21 -3.13 118.68 121.57 1why s LEU 93 Ca 0.40 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1why s LEU 93 Cb -0.15 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1why s LEU 93 CO 0.08 0.18 0.08 0.86 0.23 0.00 0.00 176.35 177.78 1why s TRP 94 N -1.17 3.31 -0.04 0.29 -0.00 -1.14 -1.88 118.94 118.31 1why s TRP 94 Ca 0.19 0.24 -0.01 0.00 -0.00 0.00 0.00 56.10 56.52 1why s TRP 94 Cb -0.11 -1.76 0.03 0.00 -0.00 0.00 0.00 33.47 31.63 1why s TRP 94 CO 0.11 0.56 0.04 0.08 -0.00 0.00 0.00 176.95 177.74 1why s VAL 95 N -1.16 0.01 0.16 5.86 1.01 0.47 -2.67 120.40 124.08 1why s VAL 95 Ca 0.22 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1why s VAL 95 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1why s VAL 95 CO 0.12 0.17 0.07 0.61 0.00 0.00 0.00 175.10 176.07 1why n GLY 96 N 4.96 3.74 2.04 4.51 0.00 -1.14 0.12 105.19 119.42 1why n GLY 96 Ca -0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1why n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 97 N 0.90 0.41 3.81 -0.02 0.00 -1.26 -3.75 105.19 105.28 1why n GLY 97 Ca -0.02 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -0.45 3.76 0.00 0.99 1.43 -1.26 -4.93 118.68 118.22 1why s LEU 98 Ca 0.00 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1why s LEU 98 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1why s LEU 98 CO 0.00 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1why n GLY 99 N -0.65 4.15 0.19 -3.19 0.00 -1.26 -5.02 105.19 99.40 1why n GLY 99 Ca 0.08 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 44.11 1why n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 100 N 0.00 0.00 0.14 1.61 0.13 -2.03 -3.20 132.00 128.65 1why h PRO 100 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1why h PRO 100 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1why h PRO 100 CO 0.00 0.38 -1.20 -2.95 -0.23 0.00 0.00 178.00 174.00 1why h ASN 101 N 0.00 0.47 -1.27 1.44 7.08 -2.02 -3.46 115.58 117.81 1why h ASN 101 Ca -0.00 -0.90 -0.78 0.00 -3.08 0.00 0.00 56.30 51.53 1why h ASN 101 Cb 0.78 -0.15 0.01 0.00 -2.08 0.00 0.00 38.32 36.87 1why h ASN 101 CO 0.05 1.55 0.89 0.41 -2.08 0.00 0.00 177.43 178.24 1why n THR 102 N -3.97 0.19 -4.39 6.14 -1.04 -1.21 -4.93 114.28 105.06 1why n THR 102 Ca -0.20 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.43 1why n THR 102 Cb 0.90 -0.98 -0.10 0.00 -1.82 0.00 0.00 70.33 68.33 1why n THR 102 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1why s SER 103 N 3.71 5.05 0.21 8.00 0.15 -1.26 -4.77 113.70 124.79 1why s SER 103 Ca 1.02 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 57.63 1why s SER 103 Cb -1.22 -1.34 0.29 0.00 -1.71 0.00 0.00 66.02 62.04 1why s SER 103 CO 0.70 0.33 1.74 0.25 1.20 0.00 0.00 173.24 177.47 1why h LEU 104 N 4.84 0.24 -0.23 3.45 5.85 -2.00 -2.36 115.31 125.10 1why h LEU 104 Ca -0.50 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1why h LEU 104 Cb 1.18 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 1why h LEU 104 CO 0.55 0.14 -0.34 0.00 -0.34 0.00 0.00 178.44 178.45 1why h ALA 105 N 1.43 -0.34 -0.39 1.25 0.00 -1.99 -0.42 119.26 118.80 1why h ALA 105 Ca 0.32 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1why h ALA 105 Cb 0.39 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1why h ALA 105 CO -0.31 -0.79 -0.50 0.00 0.00 0.00 0.00 179.25 177.65 1why h ALA 106 N 0.49 -0.72 0.09 0.00 0.00 -1.85 0.17 119.26 117.44 1why h ALA 106 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1why h ALA 106 Cb 0.55 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1why h ALA 106 CO -0.43 -0.96 -0.12 -0.07 0.00 0.00 0.00 179.25 177.67 1why h LEU 107 N -0.33 -0.32 -0.78 0.00 3.38 -1.35 -0.66 115.31 115.24 1why h LEU 107 Ca 0.07 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1why h LEU 107 Cb 0.52 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1why h LEU 107 CO -0.55 -0.14 -0.37 0.00 0.09 0.00 0.00 178.44 177.47 1why n ALA 108 N -2.43 -0.26 -0.33 1.53 0.00 -0.20 0.18 120.51 119.00 1why n ALA 108 Ca -0.02 0.74 0.03 0.00 0.00 0.00 0.00 53.44 54.18 1why n ALA 108 Cb 0.10 -0.25 0.17 0.00 0.00 0.00 0.00 19.45 19.47 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 0.94 0.21 0.00 9.65 -0.78 0.24 114.38 124.65 1why h ARG 109 Ca 0.21 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.03 1why h ARG 109 Cb 0.41 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1why h ARG 109 CO -0.76 0.62 -0.10 0.93 2.80 0.00 0.00 179.97 183.46 1why h GLU 110 N 0.97 -0.27 -1.02 0.20 4.39 0.35 -2.96 114.58 116.23 1why h GLU 110 Ca 0.41 0.02 0.26 0.00 0.34 0.00 0.00 59.36 60.40 1why h GLU 110 Cb 0.28 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 1why h GLU 110 CO -0.21 -0.18 0.68 0.74 -1.16 0.00 0.00 179.01 178.88 1why h PHE 111 N -0.41 0.48 -0.14 4.33 0.04 -0.38 -0.23 116.94 120.64 1why h PHE 111 Ca -0.03 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1why h PHE 111 Cb 0.22 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1why h PHE 111 CO 0.10 0.06 -0.07 0.22 -0.60 0.00 0.00 178.31 178.02 1why h ASP 112 N 0.30 -0.23 -0.76 2.17 1.82 -0.52 -2.63 116.42 116.57 1why h ASP 112 Ca 0.55 0.06 0.15 0.00 -0.39 0.00 0.00 57.03 57.39 1why h ASP 112 Cb 1.57 0.13 -0.14 0.00 0.68 0.00 0.00 39.33 41.57 1why h ASP 112 CO -0.20 -0.10 -0.21 0.54 -1.61 0.00 0.00 179.24 177.66 1why n ARG 113 N -5.21 -0.08 0.29 0.28 1.74 -0.10 -0.59 116.66 112.99 1why n ARG 113 Ca -0.03 1.19 -0.12 0.00 -0.77 0.00 0.00 57.85 58.11 1why n ARG 113 Cb 0.14 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1why h PHE 114 N 0.00 -0.78 -4.27 -1.55 -1.00 -1.58 -3.47 116.94 104.28 1why h PHE 114 Ca 0.35 -0.01 -0.28 0.00 2.81 0.00 0.00 57.97 60.84 1why h PHE 114 Cb 0.54 0.27 -0.10 0.00 3.61 0.00 0.00 35.95 40.27 1why h PHE 114 CO -0.60 -0.46 -0.30 0.20 -1.61 0.00 0.00 178.31 175.54 1why s GLY 115 N -1.61 1.51 -0.03 -1.45 0.00 0.24 -4.99 107.32 100.99 1why s GLY 115 Ca -0.12 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 42.74 1why s GLY 115 CO 0.36 -1.10 1.14 -0.56 0.00 0.00 0.00 173.10 172.94 1why s SER 116 N -3.22 7.13 -0.02 1.64 0.01 -1.26 -4.16 113.70 113.83 1why s SER 116 Ca 0.33 1.80 -0.15 0.00 1.31 0.00 0.00 55.95 59.23 1why s SER 116 Cb 0.01 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1why s SER 116 CO 0.19 -0.49 0.42 -0.63 0.41 0.00 0.00 173.24 173.14 1why s ILE 117 N 1.75 5.04 -0.15 1.44 1.01 -1.26 -1.65 121.20 127.38 1why s ILE 117 Ca 0.55 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.90 1why s ILE 117 Cb -0.24 -3.73 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 1why s ILE 117 CO 0.24 0.54 0.21 -0.09 0.00 0.00 0.00 174.94 175.84 1why h ARG 118 N 5.02 0.00 -3.11 2.79 2.43 -1.03 -3.48 114.38 117.00 1why h ARG 118 Ca -0.50 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 1why h ARG 118 Cb 1.21 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.62 1why h ARG 118 CO 0.64 0.56 -0.00 -0.08 -1.51 0.00 0.00 179.97 179.58 1why s THR 119 N -2.14 0.05 -0.04 0.20 -1.32 -1.26 -5.04 115.64 106.08 1why s THR 119 Ca -0.17 -0.37 -0.01 0.00 -1.21 0.00 0.00 61.69 59.92 1why s THR 119 Cb 0.02 -1.06 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1why s THR 119 CO 0.41 -0.21 0.04 -0.63 -2.21 0.00 0.00 174.62 172.02 1why s ILE 120 N -3.25 0.00 -0.17 5.08 1.01 -1.26 -3.10 121.20 119.51 1why s ILE 120 Ca -0.01 0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 1why s ILE 120 Cb 0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 1why s ILE 120 CO -0.08 0.18 0.52 -1.81 0.00 0.00 0.00 174.94 173.75 1why s ASP 121 N 1.89 6.61 -0.18 3.58 1.11 -1.14 -4.95 116.67 123.60 1why s ASP 121 Ca 0.02 0.74 -0.03 0.00 0.18 0.00 0.00 52.55 53.46 1why s ASP 121 Cb -0.12 -2.30 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 1why s ASP 121 CO -0.03 -0.13 -0.06 -1.38 1.18 0.00 0.00 175.17 174.75 1why s HIS 122 N 1.34 2.95 -0.03 4.23 -3.43 -1.26 -3.31 115.29 115.78 1why s HIS 122 Ca 0.25 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 1why s HIS 122 Cb -0.15 -1.99 0.03 0.00 -1.43 0.00 0.00 32.58 29.03 1why s HIS 122 CO 0.10 -0.27 0.00 0.08 -2.00 0.00 0.00 174.74 172.65 1why s VAL 123 N 0.80 0.18 -0.11 -5.38 1.01 -1.20 -5.05 120.40 110.66 1why s VAL 123 Ca -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1why s VAL 123 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1why s VAL 123 CO 0.02 0.15 -0.06 0.50 0.00 0.00 0.00 175.10 175.70 1why h LYS 124 N 7.27 0.00 -0.75 2.72 1.63 -1.95 -1.66 116.57 123.82 1why h LYS 124 Ca -0.42 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.45 1why h LYS 124 Cb 1.13 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.67 1why h LYS 124 CO 0.47 0.00 -0.44 0.41 -3.45 0.00 0.00 179.45 176.44 1why n GLY 125 N 1.73 -2.42 0.13 5.01 0.00 -1.26 -0.13 105.19 108.24 1why n GLY 125 Ca -0.02 0.98 -0.00 0.00 0.00 0.00 0.00 46.02 46.97 1why n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1why h ASP 126 N 0.00 0.00 -5.16 1.61 3.32 -2.01 -3.48 116.42 110.70 1why h ASP 126 Ca 0.12 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.88 1why h ASP 126 Cb 0.31 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.00 1why h ASP 126 CO -0.71 0.65 -0.65 -1.20 -1.72 0.00 0.00 179.24 175.61 1why n SER 127 N -3.44 -2.63 -4.36 6.45 7.64 0.81 -5.02 113.62 113.08 1why n SER 127 Ca 0.00 -0.52 -0.23 0.00 1.01 0.00 0.00 58.87 59.13 1why n SER 127 Cb 0.73 -4.49 -0.11 0.00 -1.01 0.00 0.00 64.21 59.33 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -3.31 1.95 -0.03 1.43 -0.12 -1.15 -4.19 117.98 112.57 1why s PHE 128 Ca 0.08 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 1why s PHE 128 Cb -0.04 -0.96 0.01 0.00 -0.63 0.00 0.00 43.02 41.41 1why s PHE 128 CO 0.63 0.39 -0.04 0.00 -0.05 0.00 0.00 175.22 176.15 1why s ALA 129 N -2.00 0.53 -0.18 1.99 0.00 0.12 -3.25 121.76 118.97 1why s ALA 129 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1why s ALA 129 Cb -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1why s ALA 129 CO 0.08 0.04 -0.16 0.71 0.00 0.00 0.00 175.76 176.42 1why s TYR 130 N 0.50 2.80 -0.14 0.00 2.02 -1.21 -0.40 117.35 120.93 1why s TYR 130 Ca -0.06 -1.38 -0.01 0.00 -0.37 0.00 0.00 57.07 55.24 1why s TYR 130 Cb -0.10 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 1why s TYR 130 CO -0.00 -0.69 -0.10 0.42 -1.57 0.00 0.00 175.55 173.61 1why s ILE 131 N 1.20 3.33 -0.26 2.71 1.01 -0.79 -2.89 121.20 125.51 1why s ILE 131 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1why s ILE 131 Cb -0.14 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1why s ILE 131 CO -0.08 0.51 -0.04 -1.58 0.00 0.00 0.00 174.94 173.76 1why s GLN 132 N 0.35 2.80 0.12 2.79 2.00 -1.18 -1.05 119.66 125.49 1why s GLN 132 Ca -0.09 -1.01 -0.15 0.00 -2.00 0.00 0.00 55.36 52.11 1why s GLN 132 Cb -0.15 -3.05 -0.07 0.00 0.80 0.00 0.00 33.01 30.54 1why s GLN 132 CO 0.05 -0.44 0.53 0.71 -0.50 0.00 0.00 175.29 175.64 1why s TYR 133 N 1.33 3.64 0.47 1.67 2.02 -1.08 -0.35 117.35 125.06 1why s TYR 133 Ca -0.00 1.07 0.23 0.00 -0.37 0.00 0.00 57.07 58.00 1why s TYR 133 Cb -0.17 -2.37 1.38 0.00 -0.40 0.00 0.00 41.96 40.39 1why s TYR 133 CO -0.03 0.47 2.09 0.93 -1.57 0.00 0.00 175.55 177.44 1why h GLU 134 N 3.79 0.00 -5.56 -0.62 5.08 -1.66 -3.44 114.58 112.17 1why h GLU 134 Ca -0.49 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.40 1why h GLU 134 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 1why h GLU 134 CO 0.65 0.11 -0.71 -1.12 -1.00 0.00 0.00 179.01 176.94 1why s SER 135 N -6.49 2.67 -0.08 1.42 0.01 -1.26 -5.09 113.70 104.88 1why s SER 135 Ca -0.04 -1.09 -0.00 0.00 1.31 0.00 0.00 55.95 56.13 1why s SER 135 Cb 0.15 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1why s SER 135 CO 0.62 -0.23 -0.01 0.25 0.41 0.00 0.00 173.24 174.28 1why h LEU 136 N 2.44 0.00 -1.04 2.44 6.46 -1.93 -3.21 115.31 120.47 1why h LEU 136 Ca -0.39 0.00 0.40 0.00 -0.12 0.00 0.00 57.88 57.77 1why h LEU 136 Cb 1.23 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.99 1why h LEU 136 CO 0.64 0.43 0.58 0.44 -0.62 0.00 0.00 178.44 179.91 1why h ASP 137 N -0.84 0.36 -0.52 1.25 5.19 -1.98 0.95 116.42 120.83 1why h ASP 137 Ca 0.00 0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 1why h ASP 137 Cb 0.02 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1why h ASP 137 CO 0.00 -0.33 0.17 0.00 -3.12 0.00 0.00 179.24 175.96 1why h ALA 138 N 1.92 0.68 -0.37 3.45 0.00 -1.95 -2.67 119.26 120.32 1why h ALA 138 Ca 0.82 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.57 1why h ALA 138 Cb 2.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1why h ALA 138 CO -0.69 0.33 0.19 0.00 0.00 0.00 0.00 179.25 179.08 1why h ALA 139 N 1.03 0.46 -0.76 0.00 0.00 0.92 -2.40 119.26 118.52 1why h ALA 139 Ca 0.17 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1why h ALA 139 Cb 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1why h ALA 139 CO -0.01 -0.18 0.45 1.96 0.00 0.00 0.00 179.25 181.48 1why h GLN 140 N 0.39 0.81 -0.10 0.00 4.20 -1.28 0.56 115.11 119.69 1why h GLN 140 Ca 0.16 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.86 1why h GLN 140 Cb 0.06 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1why h GLN 140 CO -0.11 0.54 -0.22 0.00 -0.67 0.00 0.00 178.83 178.37 1why h ALA 141 N 1.37 -0.21 0.14 3.87 0.00 -1.09 -1.61 119.26 121.73 1why h ALA 141 Ca 0.33 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1why h ALA 141 Cb 0.17 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1why h ALA 141 CO -0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 179.25 178.32 1why h ALA 142 N 0.64 -0.19 -0.40 0.00 0.00 -1.21 -1.65 119.26 116.45 1why h ALA 142 Ca 0.09 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1why h ALA 142 Cb 0.43 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1why h ALA 142 CO -0.27 -0.47 0.67 0.00 0.00 0.00 0.00 179.25 179.18 1why h ALA 144 N 1.04 0.00 0.43 0.00 0.00 -0.95 -3.31 119.26 116.47 1why h ALA 144 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1why h ALA 144 Cb 1.53 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1why h ALA 144 CO -0.00 0.22 -0.37 0.87 0.00 0.00 0.00 179.25 179.96 1why h LYS 145 N -0.47 -0.78 -0.96 0.00 6.56 -0.82 -2.34 116.57 117.76 1why h LYS 145 Ca 0.00 0.05 0.28 0.00 -1.06 0.00 0.00 60.65 59.92 1why h LYS 145 Cb 0.22 0.18 -0.14 0.00 -0.57 0.00 0.00 32.23 31.91 1why h LYS 145 CO 0.00 -0.52 0.46 0.52 -2.06 0.00 0.00 179.45 177.86 1why h MET 146 N -0.80 0.32 -6.03 3.15 2.86 -0.39 -3.41 114.93 110.63 1why h MET 146 Ca -0.04 -0.02 -0.82 0.00 -2.06 0.00 0.00 59.70 56.77 1why h MET 146 Cb 0.70 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1why h MET 146 CO -0.03 0.21 0.93 -2.13 1.06 0.00 0.00 176.91 176.95 1why n ARG 147 N -5.08 0.27 -2.82 1.72 0.63 -0.88 -1.17 116.66 109.33 1why n ARG 147 Ca 0.28 0.09 -0.11 0.00 -0.92 0.00 0.00 57.85 57.19 1why n ARG 147 Cb 0.85 -1.67 0.05 0.00 0.45 0.00 0.00 32.46 32.14 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 5.06 -0.37 3.76 5.14 0.00 0.11 -4.97 105.19 113.92 1why n GLY 148 Ca 0.37 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -3.26 3.89 -2.00 1.61 5.36 -0.32 -4.74 117.98 118.51 1why s PHE 149 Ca 0.20 1.87 0.07 0.00 -0.96 0.00 0.00 56.93 58.10 1why s PHE 149 Cb -0.03 -3.00 0.39 0.00 -0.34 0.00 0.00 43.02 40.05 1why s PHE 149 CO 0.51 0.31 0.85 -0.35 -1.46 0.00 0.00 175.22 175.08 1why n PRO 150 N 1.27 0.49 -1.03 10.12 -0.04 -1.26 -3.13 135.00 141.42 1why n PRO 150 Ca -0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 1why n PRO 150 Cb 0.47 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.71 -0.08 0.00 1.53 7.94 -1.26 -3.40 117.00 121.02 1why n LEU 151 Ca 0.05 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1why n LEU 151 Cb 0.02 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1why n LEU 151 CO 0.04 -1.38 0.00 0.61 -1.11 0.00 0.00 177.39 175.55 1why n GLY 152 N 1.06 1.40 2.45 -3.96 0.00 -1.26 -4.50 105.19 100.38 1why n GLY 152 Ca 0.14 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 3.61 0.04 -0.02 0.00 -1.22 -5.02 105.19 102.57 1why n GLY 153 Ca 0.00 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.93 1why n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 154 N -0.75 0.06 -0.06 1.61 -0.04 -1.26 -3.06 135.00 131.50 1why n PRO 154 Ca -0.09 0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 1why n PRO 154 Cb 0.44 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 1why n PRO 154 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1why n ASP 155 N -1.72 1.96 -4.64 3.54 -0.08 -1.26 -4.83 116.55 109.52 1why n ASP 155 Ca 0.03 0.35 -0.43 0.00 -1.51 0.00 0.00 54.79 53.23 1why n ASP 155 Cb 0.18 -0.93 -0.02 0.00 2.34 0.00 0.00 41.12 42.69 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1why s ARG 156 N -2.44 4.02 -0.11 -0.67 3.00 -1.17 -5.00 118.95 116.58 1why s ARG 156 Ca -0.26 1.44 0.00 0.00 0.00 0.00 0.00 55.73 56.90 1why s ARG 156 Cb 0.06 -3.85 0.02 0.00 0.00 0.00 0.00 34.95 31.18 1why s ARG 156 CO 0.66 -0.98 -0.10 1.03 0.00 0.00 0.00 175.30 175.91 1why s ARG 157 N 3.97 1.71 0.33 3.54 0.52 -1.26 -4.10 118.95 123.65 1why s ARG 157 Ca 0.57 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.15 1why s ARG 157 Cb -0.19 -1.65 -0.11 0.00 0.52 0.00 0.00 34.95 33.52 1why s ARG 157 CO 0.21 -0.20 1.46 -0.51 0.02 0.00 0.00 175.30 176.27 1why s LEU 158 N 1.45 4.36 -0.35 2.53 1.43 -1.18 -4.74 118.68 122.18 1why s LEU 158 Ca 0.01 2.87 -0.01 0.00 -1.03 0.00 0.00 54.13 55.97 1why s LEU 158 Cb -0.13 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.52 1why s LEU 158 CO -0.06 -0.77 0.08 -0.13 0.23 0.00 0.00 176.35 175.70 1why s ARG 159 N -1.39 2.11 -0.18 1.70 1.81 -1.25 0.07 118.95 121.82 1why s ARG 159 Ca 0.55 -1.58 -0.05 0.00 -1.72 0.00 0.00 55.73 52.93 1why s ARG 159 Cb -0.44 -3.34 -0.03 0.00 -0.45 0.00 0.00 34.95 30.70 1why s ARG 159 CO 0.54 -0.85 -0.01 0.08 -0.68 0.00 0.00 175.30 174.38 1why s VAL 160 N 1.15 3.99 -0.09 3.52 1.01 -1.26 -2.86 120.40 125.86 1why s VAL 160 Ca 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1why s VAL 160 Cb -0.21 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1why s VAL 160 CO -0.03 0.46 0.20 -0.62 0.00 0.00 0.00 175.10 175.10 1why s ASP 161 N 0.71 0.30 -0.15 3.32 2.15 -1.09 -4.83 116.67 117.08 1why s ASP 161 Ca -0.01 0.42 -0.42 0.00 0.43 0.00 0.00 52.55 52.98 1why s ASP 161 Cb -0.14 0.38 -0.20 0.00 -0.30 0.00 0.00 42.92 42.66 1why s ASP 161 CO 0.02 -0.21 1.26 0.49 -0.17 0.00 0.00 175.17 176.56 1why n PHE 162 N 4.90 1.06 0.00 -5.34 3.72 -1.26 -2.88 117.46 117.67 1why n PHE 162 Ca -0.13 1.04 -0.00 0.00 -0.05 0.00 0.00 57.45 58.31 1why n PHE 162 Cb 0.51 -2.16 -0.00 0.00 -0.94 0.00 0.00 39.48 36.89 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why h ALA 163 N 3.80 -0.26 -5.49 4.37 0.00 -1.86 -3.46 119.26 116.37 1why h ALA 163 Ca -0.49 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 1why h ALA 163 Cb 1.40 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.23 1why h ALA 163 CO 0.76 -0.25 -0.00 0.36 0.00 0.00 0.00 179.25 180.12 1why n LYS 164 N -2.11 0.50 -0.06 0.00 2.85 -1.26 -5.07 118.16 113.02 1why n LYS 164 Ca -0.00 -2.06 -0.10 0.00 -1.05 0.00 0.00 58.31 55.10 1why n LYS 164 Cb 0.00 -0.27 -0.05 0.00 -0.65 0.00 0.00 35.03 34.06 1why n LYS 164 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1why n SER 165 N -2.68 2.27 0.00 -5.58 2.88 -1.26 -4.56 113.62 104.69 1why n SER 165 Ca 0.11 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1why n SER 165 Cb 0.41 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1why n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1why n GLY 166 N 2.68 0.91 0.22 0.46 0.00 -1.26 -4.58 105.19 103.63 1why n GLY 166 Ca -0.22 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.04 1why n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 167 N 0.00 0.00 -6.62 1.61 0.13 -2.01 -3.46 132.00 121.64 1why h PRO 167 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1why h PRO 167 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 1why h PRO 167 CO 0.00 0.27 -0.77 -1.13 -0.23 0.00 0.00 178.00 176.13 1why n SER 168 N -3.56 0.21 -4.63 1.44 3.41 -1.26 -4.73 113.62 104.49 1why n SER 168 Ca -0.01 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 1why n SER 168 Cb 0.41 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.04 1why n SER 168 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1why s SER 169 N -3.80 6.01 0.00 4.04 0.15 -1.26 -5.26 113.70 113.57 1why s SER 169 Ca 0.17 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1why s SER 169 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1why s SER 169 CO 0.82 -1.46 0.09 0.61 1.20 0.00 0.00 173.24 174.50