#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why n SER 75 N 0.00 -2.04 -2.33 1.61 3.41 -1.26 -4.81 113.62 108.20 1why n SER 75 Ca 0.00 0.69 -0.33 0.00 -0.26 0.00 0.00 58.87 58.97 1why n SER 75 Cb 0.00 -0.71 0.07 0.00 -0.26 0.00 0.00 64.21 63.31 1why n SER 75 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1why n SER 76 N 1.80 7.49 -0.40 4.04 2.88 -1.26 -5.03 113.62 123.14 1why n SER 76 Ca 0.10 -3.68 0.00 0.00 -1.33 0.00 0.00 58.87 53.97 1why n SER 76 Cb 0.29 -1.01 -0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1why n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1why n GLY 77 N -0.65 -1.67 2.71 0.46 0.00 -1.26 -4.89 105.19 99.88 1why n GLY 77 Ca 0.57 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 1why n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1why s SER 78 N -4.00 0.99 0.09 1.61 0.15 -1.26 -5.15 113.70 106.13 1why s SER 78 Ca 0.00 0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.76 1why s SER 78 Cb 0.00 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1why s SER 78 CO 0.00 -0.22 -0.16 -0.55 1.20 0.00 0.00 173.24 173.51 1why s SER 79 N 1.92 2.03 0.00 5.45 0.15 -1.26 -5.13 113.70 116.86 1why s SER 79 Ca 0.02 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1why s SER 79 Cb -0.12 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1why s SER 79 CO -0.03 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1why n GLY 80 N 1.07 4.20 2.89 9.45 0.00 -1.26 -5.13 105.19 116.42 1why n GLY 80 Ca -0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 4.87 1.16 0.62 1.61 3.01 -1.26 -5.11 119.74 124.64 1why s LYS 81 Ca 0.00 -1.49 -0.17 0.00 -1.01 0.00 0.00 55.97 53.29 1why s LYS 81 Cb 0.00 -2.65 -0.10 0.00 -1.01 0.00 0.00 37.83 34.06 1why s LYS 81 CO 0.00 -0.94 0.16 0.44 0.51 0.00 0.00 175.35 175.51 1why n ILE 82 N 4.53 1.09 0.00 2.17 -5.35 -1.26 -4.95 119.36 115.58 1why n ILE 82 Ca 0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 1why n ILE 82 Cb 0.42 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1why n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1why n GLY 83 N 2.18 -1.82 3.58 3.28 0.00 -1.26 -5.08 105.19 106.07 1why n GLY 83 Ca 0.09 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 2.76 0.81 1.61 1.13 -1.26 -4.98 117.35 117.42 1why s TYR 84 Ca 0.00 -1.57 -0.13 0.00 -1.41 0.00 0.00 57.07 53.96 1why s TYR 84 Cb 0.00 -4.76 0.21 0.00 -1.10 0.00 0.00 41.96 36.31 1why s TYR 84 CO 0.00 -1.82 0.46 0.41 -2.51 0.00 0.00 175.55 172.09 1why n GLY 85 N 5.52 -3.66 3.69 5.49 0.00 -1.26 -4.92 105.19 110.04 1why n GLY 85 Ca 0.48 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1why n GLY 85 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1why n LYS 86 N -3.86 0.68 -3.57 1.61 2.85 -1.26 -5.03 118.16 109.58 1why n LYS 86 Ca 0.07 0.29 -0.02 0.00 -1.05 0.00 0.00 58.31 57.61 1why n LYS 86 Cb 0.32 -2.42 -0.05 0.00 -0.65 0.00 0.00 35.03 32.23 1why n LYS 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1why s ALA 87 N -1.71 -2.29 0.44 0.58 0.00 -1.26 -5.10 121.76 112.42 1why s ALA 87 Ca 0.78 2.23 -0.25 0.00 0.00 0.00 0.00 51.96 54.72 1why s ALA 87 Cb -0.35 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.92 1why s ALA 87 CO 0.46 -0.66 1.29 -0.80 0.00 0.00 0.00 175.76 176.05 1why s ASN 88 N 2.06 6.10 0.26 0.00 -0.87 -1.26 -4.94 114.94 116.29 1why s ASN 88 Ca -0.07 2.61 -0.29 0.00 -1.57 0.00 0.00 52.86 53.54 1why s ASN 88 Cb -0.06 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.25 38.44 1why s ASN 88 CO -0.17 -0.99 1.26 -2.16 -2.57 0.00 0.00 177.10 172.47 1why s PRO 89 N -2.45 4.43 0.00 -0.60 0.04 -1.26 -4.45 135.00 130.72 1why s PRO 89 Ca 0.61 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 1why s PRO 89 Cb -0.37 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1why s PRO 89 CO 0.46 -0.13 0.20 -0.08 0.04 0.00 0.00 177.00 177.49 1why s THR 90 N -0.58 0.08 0.43 1.26 -1.32 -1.26 -5.03 115.64 109.22 1why s THR 90 Ca 0.51 -0.64 0.25 0.00 -1.21 0.00 0.00 61.69 60.61 1why s THR 90 Cb -0.37 -0.53 0.45 0.00 -1.51 0.00 0.00 72.50 70.54 1why s THR 90 CO 0.44 -0.35 1.71 0.71 -2.21 0.00 0.00 174.62 174.92 1why h THR 91 N 4.06 0.34 -3.95 5.08 1.35 -1.87 -3.40 112.91 114.52 1why h THR 91 Ca -0.31 -0.08 -0.48 0.00 -0.55 0.00 0.00 66.41 65.00 1why h THR 91 Cb 1.19 0.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1why h THR 91 CO 0.41 0.04 0.40 -0.60 -0.25 0.00 0.00 175.52 175.52 1why s ARG 92 N -5.36 4.23 -0.02 4.72 3.52 -1.26 -3.51 118.95 121.27 1why s ARG 92 Ca -0.08 1.47 0.01 0.00 -0.13 0.00 0.00 55.73 57.00 1why s ARG 92 Cb 0.27 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 31.10 1why s ARG 92 CO 0.81 -0.07 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.68 1why s LEU 93 N -2.57 1.69 -0.46 -0.88 1.43 -1.21 -3.92 118.68 112.75 1why s LEU 93 Ca 0.57 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 1why s LEU 93 Cb -0.21 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.75 1why s LEU 93 CO 0.26 0.00 0.58 0.86 0.23 0.00 0.00 176.35 178.28 1why s TRP 94 N 0.34 3.09 -0.17 0.29 -0.00 0.45 -3.51 118.94 119.43 1why s TRP 94 Ca -0.04 -0.35 -0.07 0.00 -0.00 0.00 0.00 56.10 55.64 1why s TRP 94 Cb -0.07 -3.30 -0.04 0.00 -0.00 0.00 0.00 33.47 30.06 1why s TRP 94 CO -0.00 -0.89 0.05 0.08 -0.00 0.00 0.00 176.95 176.19 1why s VAL 95 N 2.54 4.74 0.00 5.86 1.01 -0.35 -1.09 120.40 133.11 1why s VAL 95 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1why s VAL 95 Cb -0.17 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1why s VAL 95 CO 0.14 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1why n GLY 96 N 3.31 5.89 2.52 4.51 0.00 -0.35 0.02 105.19 121.10 1why n GLY 96 Ca -0.17 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 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 2.09 1.42 3.87 -0.02 0.00 -1.26 -4.09 105.19 107.19 1why n GLY 97 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.63 4.18 0.00 0.99 1.43 -1.24 -4.91 118.68 114.49 1why s LEU 98 Ca 0.00 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1why s LEU 98 Cb 0.00 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 1why s LEU 98 CO 0.00 -0.06 0.03 0.61 0.23 0.00 0.00 176.35 177.15 1why n GLY 99 N -0.02 3.86 0.00 -3.19 0.00 -1.26 -4.82 105.19 99.76 1why n GLY 99 Ca 0.00 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.43 1why n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 100 N -0.06 0.34 -0.12 1.61 -0.04 -1.26 -3.24 135.00 132.23 1why n PRO 100 Ca 0.01 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1why n PRO 100 Cb 0.06 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 1why n PRO 100 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1why n ASN 101 N -1.15 1.94 -4.62 3.54 2.85 -1.26 -4.96 115.26 111.59 1why n ASN 101 Ca 0.09 0.35 -0.47 0.00 -0.11 0.00 0.00 54.58 54.44 1why n ASN 101 Cb 0.09 -0.81 -0.04 0.00 1.24 0.00 0.00 39.78 40.26 1why n ASN 101 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1why n THR 102 N -4.33 0.68 -4.18 -0.44 -1.04 -1.20 -4.96 114.28 98.81 1why n THR 102 Ca -0.41 -0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.08 1why n THR 102 Cb 0.76 -1.15 -0.13 0.00 -1.82 0.00 0.00 70.33 67.99 1why n THR 102 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1why s SER 103 N 0.28 4.48 0.14 8.00 0.01 -1.26 -4.76 113.70 120.58 1why s SER 103 Ca 0.74 -0.29 -0.32 0.00 1.31 0.00 0.00 55.95 57.39 1why s SER 103 Cb -0.77 -1.75 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 1why s SER 103 CO 0.49 0.06 1.54 0.25 0.41 0.00 0.00 173.24 175.99 1why h LEU 104 N 7.48 -1.95 -0.87 2.44 7.12 -1.98 -1.27 115.31 126.29 1why h LEU 104 Ca -0.36 0.27 0.10 0.00 0.13 0.00 0.00 57.88 58.03 1why h LEU 104 Cb 1.18 0.82 -0.12 0.00 -0.53 0.00 0.00 40.66 42.01 1why h LEU 104 CO 0.60 -0.35 -0.43 0.00 -0.13 0.00 0.00 178.44 178.12 1why n ALA 105 N -3.13 -0.35 -0.26 1.25 0.00 -1.26 0.52 120.51 117.28 1why n ALA 105 Ca -0.02 0.80 0.02 0.00 0.00 0.00 0.00 53.44 54.23 1why n ALA 105 Cb 0.32 -0.24 0.09 0.00 0.00 0.00 0.00 19.45 19.62 1why n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1why h ALA 106 N 0.78 0.52 0.45 0.00 0.00 -1.66 -1.96 119.26 117.39 1why h ALA 106 Ca 0.21 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1why h ALA 106 Cb 0.43 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1why h ALA 106 CO -0.84 -0.41 -0.21 -0.07 0.00 0.00 0.00 179.25 177.71 1why h LEU 107 N 0.01 -0.51 -1.17 0.00 3.38 0.26 -2.78 115.31 114.50 1why h LEU 107 Ca 0.36 -0.10 0.38 0.00 0.09 0.00 0.00 57.88 58.62 1why h LEU 107 Cb 0.56 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1why h LEU 107 CO -0.76 -0.13 0.78 0.00 0.09 0.00 0.00 178.44 178.42 1why n ALA 108 N -2.57 1.14 -0.00 1.53 0.00 0.60 0.18 120.51 121.40 1why n ALA 108 Ca -0.10 0.63 -0.18 0.00 0.00 0.00 0.00 53.44 53.79 1why n ALA 108 Cb 0.30 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 0.17 -0.98 0.00 9.65 -1.32 -1.96 114.38 119.94 1why h ARG 109 Ca 0.68 -0.30 0.01 0.00 -1.10 0.00 0.00 59.98 59.28 1why h ARG 109 Cb 2.34 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 30.99 1why h ARG 109 CO -0.27 1.14 0.65 0.93 2.80 0.00 0.00 179.97 185.22 1why h GLU 110 N -0.63 1.28 -0.03 0.20 5.08 0.23 -2.07 114.58 118.63 1why h GLU 110 Ca -0.09 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1why h GLU 110 Cb 1.38 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1why h GLU 110 CO 0.09 0.85 -0.17 0.74 -1.00 0.00 0.00 179.01 179.51 1why h PHE 111 N 1.32 0.24 -0.87 4.33 -1.00 -0.73 -3.26 116.94 116.97 1why h PHE 111 Ca 0.36 -0.11 0.19 0.00 2.81 0.00 0.00 57.97 61.23 1why h PHE 111 Cb -0.13 -0.04 -0.11 0.00 3.61 0.00 0.00 35.95 39.28 1why h PHE 111 CO -0.00 0.82 0.40 0.22 -1.61 0.00 0.00 178.31 178.14 1why h ASP 112 N -0.41 0.39 -1.71 2.17 1.82 -1.17 0.77 116.42 118.29 1why h ASP 112 Ca -0.01 0.13 0.49 0.00 -0.39 0.00 0.00 57.03 57.25 1why h ASP 112 Cb 0.84 0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.88 1why h ASP 112 CO 0.04 0.08 1.36 0.54 -1.61 0.00 0.00 179.24 179.65 1why n ARG 113 N -4.99 0.00 0.03 0.28 5.12 -0.80 -0.60 116.66 115.72 1why n ARG 113 Ca 0.20 1.06 -0.02 0.00 -1.93 0.00 0.00 57.85 57.16 1why n ARG 113 Cb 0.57 -2.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.36 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1why h PHE 114 N 0.00 -0.14 -3.25 -1.55 0.04 -1.03 -3.49 116.94 107.52 1why h PHE 114 Ca 0.81 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.54 1why h PHE 114 Cb 3.53 0.05 -0.12 0.00 2.20 0.00 0.00 35.95 41.61 1why h PHE 114 CO 0.00 -0.09 0.04 0.20 -0.60 0.00 0.00 178.31 177.86 1why s GLY 115 N -2.79 -0.37 -0.59 -1.45 0.00 0.24 -4.99 107.32 97.36 1why s GLY 115 Ca -0.02 0.12 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 1why s GLY 115 CO 0.07 -0.14 2.42 1.44 0.00 0.00 0.00 173.10 176.89 1why n SER 116 N -0.29 1.62 -4.67 1.64 7.64 -1.26 -4.51 113.62 113.79 1why n SER 116 Ca -0.16 0.03 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 1why n SER 116 Cb 0.64 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 1why n SER 116 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1why s ILE 117 N 9.51 2.82 -0.03 0.44 1.01 -1.26 -3.54 121.20 130.15 1why s ILE 117 Ca 1.14 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 1why s ILE 117 Cb -0.75 -3.04 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 1why s ILE 117 CO 0.41 -0.00 0.82 -0.09 0.00 0.00 0.00 174.94 176.08 1why h ARG 118 N 9.67 -0.41 -3.98 2.79 2.43 0.14 -3.47 114.38 121.54 1why h ARG 118 Ca -0.48 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1why h ARG 118 Cb 1.23 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.74 1why h ARG 118 CO 0.94 -0.12 -0.42 0.95 -1.51 0.00 0.00 179.97 179.82 1why s THR 119 N -3.60 0.11 0.02 0.20 -4.23 -1.12 -4.91 115.64 102.10 1why s THR 119 Ca -0.11 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1why s THR 119 Cb 0.01 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.13 1why s THR 119 CO 0.38 -0.49 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.31 1why s ILE 120 N -3.95 0.12 -0.03 2.99 1.01 -1.25 0.34 121.20 120.44 1why s ILE 120 Ca 0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1why s ILE 120 Cb 0.05 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1why s ILE 120 CO -0.04 -0.56 0.04 -1.81 0.00 0.00 0.00 174.94 172.57 1why s ASP 121 N -1.66 0.34 -0.22 3.58 1.01 0.10 -4.93 116.67 114.89 1why s ASP 121 Ca -0.13 0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.16 1why s ASP 121 Cb -0.08 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.78 1why s ASP 121 CO -0.02 -0.16 -0.07 -2.28 0.21 0.00 0.00 175.17 172.84 1why s HIS 122 N 1.36 2.95 -0.07 4.23 5.65 -1.26 -2.29 115.29 125.85 1why s HIS 122 Ca -0.05 -1.19 0.01 0.00 0.25 0.00 0.00 55.06 54.08 1why s HIS 122 Cb -0.13 -2.06 0.02 0.00 -1.18 0.00 0.00 32.58 29.23 1why s HIS 122 CO -0.03 -0.63 -0.10 0.08 -0.65 0.00 0.00 174.74 173.41 1why s VAL 123 N 1.41 1.02 -0.15 0.89 1.01 -0.90 -5.03 120.40 118.65 1why s VAL 123 Ca 0.05 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1why s VAL 123 Cb -0.14 -0.97 -0.23 0.00 0.00 0.00 0.00 36.38 35.03 1why s VAL 123 CO -0.05 0.34 0.31 0.07 0.00 0.00 0.00 175.10 175.77 1why h LYS 124 N 7.28 0.16 -0.11 2.72 2.10 -1.94 -2.55 116.57 124.24 1why h LYS 124 Ca -0.32 -0.27 0.01 0.00 -2.00 0.00 0.00 60.65 58.07 1why h LYS 124 Cb 1.17 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1why h LYS 124 CO 0.46 1.13 -0.06 0.41 -2.00 0.00 0.00 179.45 179.39 1why n GLY 125 N 1.75 -2.19 0.02 0.07 0.00 -1.26 -1.00 105.19 102.59 1why n GLY 125 Ca -0.32 0.49 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1why n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1why n ASP 126 N -3.04 0.62 -1.82 1.61 8.00 -1.26 -4.97 116.55 115.69 1why n ASP 126 Ca 0.00 -0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.14 1why n ASP 126 Cb 0.03 0.49 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1why n ASP 126 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1why n SER 127 N -1.75 -3.91 -4.56 -2.24 3.41 -0.17 -4.91 113.62 99.49 1why n SER 127 Ca 0.04 -0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 1why n SER 127 Cb 0.38 -2.53 -0.10 0.00 -0.26 0.00 0.00 64.21 61.71 1why n SER 127 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1why s PHE 128 N -3.09 2.69 -0.05 7.33 -0.12 -0.99 -3.73 117.98 120.02 1why s PHE 128 Ca 0.24 -0.18 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1why s PHE 128 Cb -0.11 -1.41 0.02 0.00 -0.63 0.00 0.00 43.02 40.90 1why s PHE 128 CO 0.30 0.42 -0.06 0.00 -0.05 0.00 0.00 175.22 175.83 1why s ALA 129 N -1.21 0.75 -0.23 1.99 0.00 0.10 -2.11 121.76 121.05 1why s ALA 129 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 1why s ALA 129 Cb -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1why s ALA 129 CO 0.13 0.01 -0.01 0.71 0.00 0.00 0.00 175.76 176.60 1why s TYR 130 N 0.86 3.00 -0.16 0.00 2.02 -0.97 -1.21 117.35 120.89 1why s TYR 130 Ca -0.12 -0.91 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 1why s TYR 130 Cb -0.15 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1why s TYR 130 CO 0.01 -0.54 -0.20 0.42 -1.57 0.00 0.00 175.55 173.67 1why s ILE 131 N 1.49 2.00 0.30 2.71 1.01 -1.23 0.03 121.20 127.51 1why s ILE 131 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 1why s ILE 131 Cb -0.15 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.47 1why s ILE 131 CO -0.02 0.53 0.58 -1.58 0.00 0.00 0.00 174.94 174.46 1why s GLN 132 N 1.12 3.67 -0.04 2.79 2.00 0.15 -3.28 119.66 126.08 1why s GLN 132 Ca 0.00 0.10 0.03 0.00 -2.00 0.00 0.00 55.36 53.49 1why s GLN 132 Cb -0.14 -2.61 0.01 0.00 0.80 0.00 0.00 33.01 31.07 1why s GLN 132 CO -0.08 0.19 -0.10 0.71 -0.50 0.00 0.00 175.29 175.50 1why s TYR 133 N -2.09 1.15 0.42 1.67 2.02 -1.23 0.85 117.35 120.14 1why s TYR 133 Ca 0.45 -0.34 0.22 0.00 -0.37 0.00 0.00 57.07 57.03 1why s TYR 133 Cb -0.11 -0.84 1.18 0.00 -0.40 0.00 0.00 41.96 41.80 1why s TYR 133 CO 0.29 -0.16 1.78 0.93 -1.57 0.00 0.00 175.55 176.82 1why h GLU 134 N 6.60 0.31 -6.15 -0.62 4.39 -1.90 -3.41 114.58 113.80 1why h GLU 134 Ca -0.33 -0.02 -0.57 0.00 0.34 0.00 0.00 59.36 58.78 1why h GLU 134 Cb 1.17 -0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.58 1why h GLU 134 CO 0.48 0.21 -0.78 -1.12 -1.16 0.00 0.00 179.01 176.63 1why s SER 135 N -5.24 3.08 -0.06 1.42 0.01 -1.26 -5.07 113.70 106.58 1why s SER 135 Ca -0.08 -0.92 -0.22 0.00 1.31 0.00 0.00 55.95 56.04 1why s SER 135 Cb 0.25 -0.21 -0.17 0.00 0.21 0.00 0.00 66.02 66.09 1why s SER 135 CO 0.80 0.01 0.92 0.25 0.41 0.00 0.00 173.24 175.63 1why h LEU 136 N 2.95 -0.13 -0.83 2.44 6.46 -1.96 -3.21 115.31 121.04 1why h LEU 136 Ca -0.42 -0.44 0.08 0.00 -0.12 0.00 0.00 57.88 56.97 1why h LEU 136 Cb 1.22 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 41.08 1why h LEU 136 CO 0.53 0.46 -0.50 0.44 -0.62 0.00 0.00 178.44 178.75 1why h ASP 137 N -0.81 -1.84 -0.69 1.25 5.19 -1.97 0.20 116.42 117.75 1why h ASP 137 Ca -0.02 0.28 0.14 0.00 -0.62 0.00 0.00 57.03 56.81 1why h ASP 137 Cb 0.56 0.81 -0.13 0.00 0.18 0.00 0.00 39.33 40.75 1why h ASP 137 CO 0.03 -0.20 -0.13 0.00 -3.12 0.00 0.00 179.24 175.81 1why h ALA 138 N 0.25 0.51 -0.45 3.45 0.00 -1.95 -0.01 119.26 121.08 1why h ALA 138 Ca 0.13 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1why h ALA 138 Cb 0.36 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1why h ALA 138 CO -0.79 -0.42 -0.14 0.00 0.00 0.00 0.00 179.25 177.90 1why h ALA 139 N 1.68 0.25 -0.04 0.00 0.00 -0.64 -1.84 119.26 118.67 1why h ALA 139 Ca 0.34 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.44 1why h ALA 139 Cb 0.54 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1why h ALA 139 CO -0.69 -0.48 -0.06 1.96 0.00 0.00 0.00 179.25 179.98 1why h GLN 140 N -0.04 -0.08 -0.51 0.00 4.20 -0.13 -0.62 115.11 117.93 1why h GLN 140 Ca 0.22 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.02 1why h GLN 140 Cb 0.37 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.06 1why h GLN 140 CO -0.48 -0.06 -0.37 0.00 -0.67 0.00 0.00 178.83 177.26 1why h ALA 141 N 0.94 -0.20 -0.58 3.87 0.00 -0.50 -0.36 119.26 122.44 1why h ALA 141 Ca 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1why h ALA 141 Cb 0.14 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1why h ALA 141 CO -0.09 -0.75 0.31 0.00 0.00 0.00 0.00 179.25 178.71 1why h ALA 142 N 0.77 0.74 -0.14 0.00 0.00 -1.19 0.54 119.26 119.98 1why h ALA 142 Ca 0.19 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1why h ALA 142 Cb 0.56 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1why h ALA 142 CO -0.63 0.27 -0.42 0.00 0.00 0.00 0.00 179.25 178.47 1why h ALA 144 N 0.13 -0.80 -0.72 0.00 0.00 -1.10 -1.18 119.26 115.59 1why h ALA 144 Ca 0.08 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1why h ALA 144 Cb 0.62 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 1why h ALA 144 CO -0.40 -0.75 -0.53 0.87 0.00 0.00 0.00 179.25 178.44 1why h LYS 145 N -1.19 -0.17 -0.62 0.00 6.56 -0.83 0.84 116.57 121.16 1why h LYS 145 Ca -0.08 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1why h LYS 145 Cb 0.61 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.26 1why h LYS 145 CO 0.13 -0.12 0.36 0.52 -2.06 0.00 0.00 179.45 178.29 1why h MET 146 N -0.18 0.68 -3.66 3.15 2.86 -0.38 -3.41 114.93 113.98 1why h MET 146 Ca 0.15 -0.04 -0.36 0.00 -2.06 0.00 0.00 59.70 57.39 1why h MET 146 Cb 0.52 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 1why h MET 146 CO -0.78 0.45 1.31 -2.13 1.06 0.00 0.00 176.91 176.82 1why n ARG 147 N -4.76 0.00 -2.44 1.72 0.63 0.29 0.20 116.66 112.29 1why n ARG 147 Ca 0.06 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1why n ARG 147 Cb 0.12 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 31.96 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 4.69 0.85 3.78 5.14 0.00 0.11 -4.99 105.19 114.76 1why n GLY 148 Ca 0.49 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.01 3.81 -0.75 1.61 2.19 0.53 -4.73 117.98 117.63 1why s PHE 149 Ca 0.01 1.71 -0.26 0.00 0.33 0.00 0.00 56.93 58.73 1why s PHE 149 Cb -0.00 -2.85 -0.03 0.00 -1.31 0.00 0.00 43.02 38.83 1why s PHE 149 CO 0.01 0.37 1.90 -1.25 1.83 0.00 0.00 175.22 178.08 1why s PRO 150 N -1.61 2.59 -0.15 10.12 0.04 -1.26 -2.70 135.00 142.03 1why s PRO 150 Ca 0.43 0.17 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 1why s PRO 150 Cb -0.21 -4.71 0.05 0.00 0.04 0.00 0.00 34.50 29.67 1why s PRO 150 CO 0.26 -3.04 0.07 -1.17 0.04 0.00 0.00 177.00 173.16 1why s LEU 151 N 9.56 0.49 0.00 -3.56 0.20 -1.24 -5.05 118.68 119.07 1why s LEU 151 Ca 0.69 -0.53 0.00 0.00 0.69 0.00 0.00 54.13 54.97 1why s LEU 151 Cb -0.10 -0.31 0.00 0.00 -0.43 0.00 0.00 46.19 45.36 1why s LEU 151 CO 0.10 -0.32 0.00 0.61 -0.29 0.00 0.00 176.35 176.45 1why n GLY 152 N 5.23 1.03 3.31 7.98 0.00 -1.26 -4.55 105.19 116.93 1why n GLY 152 Ca -0.07 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1why n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1why s GLY 153 N 0.00 1.42 0.01 -0.02 0.00 -1.26 -4.90 107.32 102.56 1why s GLY 153 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 44.72 43.85 1why s GLY 153 CO 0.00 0.32 1.30 -0.56 0.00 0.00 0.00 173.10 174.17 1why h PRO 154 N -3.36 0.16 -0.45 2.90 0.13 -2.02 -3.14 132.00 126.21 1why h PRO 154 Ca -0.48 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1why h PRO 154 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1why h PRO 154 CO 0.33 0.60 0.00 -0.40 -0.23 0.00 0.00 178.00 178.30 1why n ASP 155 N -4.72 2.49 -4.53 1.44 5.75 -1.26 -4.83 116.55 110.88 1why n ASP 155 Ca -0.07 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.31 1why n ASP 155 Cb 0.30 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1why s ARG 156 N -1.40 3.50 0.15 0.11 0.52 -1.19 -5.06 118.95 115.59 1why s ARG 156 Ca 0.32 -0.50 0.08 0.00 -0.52 0.00 0.00 55.73 55.10 1why s ARG 156 Cb 0.17 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1why s ARG 156 CO 0.22 -0.53 -0.17 1.03 0.02 0.00 0.00 175.30 175.87 1why s ARG 157 N 1.95 1.20 0.32 3.54 3.00 -1.26 -3.73 118.95 123.96 1why s ARG 157 Ca 0.10 -1.37 -0.26 0.00 0.00 0.00 0.00 55.73 54.20 1why s ARG 157 Cb -0.17 -1.18 -0.10 0.00 0.00 0.00 0.00 34.95 33.51 1why s ARG 157 CO 0.11 0.23 0.93 -0.51 0.00 0.00 0.00 175.30 176.06 1why s LEU 158 N -2.66 4.34 -0.26 2.53 1.43 -1.10 -4.88 118.68 118.07 1why s LEU 158 Ca 0.14 1.80 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1why s LEU 158 Cb -0.05 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.20 1why s LEU 158 CO 0.05 -0.06 -0.02 -0.13 0.23 0.00 0.00 176.35 176.43 1why s ARG 159 N -2.06 2.93 0.00 1.70 1.81 -1.26 -0.71 118.95 121.36 1why s ARG 159 Ca 0.50 -0.93 0.08 0.00 -1.72 0.00 0.00 55.73 53.66 1why s ARG 159 Cb -0.18 -3.11 -0.02 0.00 -0.45 0.00 0.00 34.95 31.19 1why s ARG 159 CO 0.23 -0.41 -0.25 0.08 -0.68 0.00 0.00 175.30 174.27 1why s VAL 160 N 1.38 2.01 0.09 3.52 1.01 -1.26 -1.21 120.40 125.94 1why s VAL 160 Ca 0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1why s VAL 160 Cb -0.17 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1why s VAL 160 CO -0.02 0.49 0.08 -1.81 0.00 0.00 0.00 175.10 173.83 1why s ASP 161 N -0.80 0.31 -0.35 3.32 1.11 -0.25 -4.84 116.67 115.17 1why s ASP 161 Ca 0.10 -0.94 -0.26 0.00 0.18 0.00 0.00 52.55 51.63 1why s ASP 161 Cb -0.10 0.28 0.01 0.00 1.07 0.00 0.00 42.92 44.19 1why s ASP 161 CO -0.00 -0.69 0.92 -0.36 1.18 0.00 0.00 175.17 176.22 1why s PHE 162 N -3.94 3.10 -1.25 4.23 0.08 -1.26 -0.42 117.98 118.53 1why s PHE 162 Ca 0.11 0.82 -0.15 0.00 0.12 0.00 0.00 56.93 57.83 1why s PHE 162 Cb 0.07 -3.59 0.13 0.00 -0.57 0.00 0.00 43.02 39.06 1why s PHE 162 CO -0.07 -0.78 1.58 0.00 -0.10 0.00 0.00 175.22 175.85 1why n ALA 163 N 6.70 3.90 0.31 5.36 0.00 -1.25 -4.83 120.51 130.70 1why n ALA 163 Ca 0.07 -4.11 -0.17 0.00 0.00 0.00 0.00 53.44 49.23 1why n ALA 163 Cb 0.48 -3.25 -0.08 0.00 0.00 0.00 0.00 19.45 16.60 1why n ALA 163 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1why h LYS 164 N 7.17 -0.80 -6.12 0.00 3.11 -1.90 -3.43 116.57 114.60 1why h LYS 164 Ca 0.37 0.05 -0.77 0.00 -2.81 0.00 0.00 60.65 57.50 1why h LYS 164 Cb 0.85 0.18 0.03 0.00 -1.00 0.00 0.00 32.23 32.29 1why h LYS 164 CO 1.35 -0.53 0.63 -1.13 -2.81 0.00 0.00 179.45 176.96 1why n SER 165 N -5.47 1.61 0.00 4.20 3.41 -1.26 -4.77 113.62 111.33 1why n SER 165 Ca -0.12 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1why n SER 165 Cb 0.36 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1why n SER 165 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1why n GLY 166 N 3.39 -0.60 3.76 5.00 0.00 -1.26 -5.15 105.19 110.34 1why n GLY 166 Ca 0.25 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 46.29 1why n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1why s PRO 167 N 0.00 4.46 0.14 1.61 0.04 -1.26 -5.05 135.00 134.94 1why s PRO 167 Ca 0.00 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1why s PRO 167 Cb 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1why s PRO 167 CO 0.00 -0.06 -0.02 -1.54 0.04 0.00 0.00 177.00 175.42 1why s SER 168 N -0.50 1.12 0.01 6.66 1.04 -1.26 -5.16 113.70 115.61 1why s SER 168 Ca 0.48 -1.11 0.05 0.00 0.48 0.00 0.00 55.95 55.86 1why s SER 168 Cb -0.37 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 1why s SER 168 CO 0.47 -0.54 -0.15 -0.94 0.98 0.00 0.00 173.24 173.06 1why s SER 169 N -3.11 4.03 0.00 7.02 1.04 -1.26 -5.35 113.70 116.07 1why s SER 169 Ca 0.19 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1why s SER 169 Cb 0.06 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1why s SER 169 CO 0.00 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.12