#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hkr h VAL 72 N 0.00 0.00 -0.14 3.84 -1.51 -2.01 -2.75 116.25 113.68 2hkr h VAL 72 Ca 0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2hkr h VAL 72 Cb 0.00 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2hkr h VAL 72 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 2hkr n ASN 73 N -2.83 1.50 -4.85 4.19 3.02 -1.26 -4.85 115.26 110.17 2hkr n ASN 73 Ca 0.01 -1.66 -0.37 0.00 -0.03 0.00 0.00 54.58 52.53 2hkr n ASN 73 Cb 0.30 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 2hkr n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hkr s SER 74 N -1.61 6.58 0.63 6.41 0.15 -1.04 -4.93 113.70 119.89 2hkr s SER 74 Ca 0.33 0.69 0.39 0.00 0.70 0.00 0.00 55.95 58.06 2hkr s SER 74 Cb 0.17 -2.16 2.15 0.00 -1.71 0.00 0.00 66.02 64.48 2hkr s SER 74 CO 0.27 0.36 2.30 0.00 1.20 0.00 0.00 173.24 177.37 2hkr n ASP 76 N -3.32 0.69 -4.72 0.00 8.00 -1.26 -4.77 116.55 111.18 2hkr n ASP 76 Ca -0.03 -0.83 -0.43 0.00 0.71 0.00 0.00 54.79 54.22 2hkr n ASP 76 Cb 0.10 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 2hkr n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hkr n TYR 77 N -0.72 2.61 0.11 1.24 -0.00 -0.76 -4.85 117.16 114.79 2hkr n TYR 77 Ca 0.16 0.33 0.08 0.00 -0.00 0.00 0.00 57.90 58.47 2hkr n TYR 77 Cb 0.28 -2.54 0.56 0.00 -0.00 0.00 0.00 39.34 37.64 2hkr n TYR 77 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2hkr h TRP 78 N 4.44 0.22 0.00 2.98 5.08 -1.89 -1.00 115.95 125.77 2hkr h TRP 78 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2hkr h TRP 78 Cb 1.24 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 2hkr h TRP 78 CO 0.57 0.13 0.00 0.54 -1.28 0.00 0.00 178.44 178.40 2hkr n ARG 79 N -4.50 0.17 -0.88 0.12 1.74 -1.26 -3.42 116.66 108.63 2hkr n ARG 79 Ca 0.01 0.29 -0.11 0.00 -0.77 0.00 0.00 57.85 57.28 2hkr n ARG 79 Cb 0.15 -1.76 0.20 0.00 -1.02 0.00 0.00 32.46 30.04 2hkr n ARG 79 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2hkr n HIS 80 N -2.06 2.15 0.40 -1.55 8.25 -0.38 -4.66 115.22 117.37 2hkr n HIS 80 Ca 0.04 -1.23 0.13 0.00 -0.26 0.00 0.00 57.72 56.40 2hkr n HIS 80 Cb 0.29 -0.67 0.51 0.00 1.12 0.00 0.00 29.99 31.24 2hkr n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hkr n ALA 82 N -1.81 3.18 -2.69 0.00 0.00 -1.26 -1.34 120.51 116.59 2hkr n ALA 82 Ca 0.02 -2.92 -0.42 0.00 0.00 0.00 0.00 53.44 50.11 2hkr n ALA 82 Cb 0.25 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2hkr n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hkr s VAL 83 N -2.23 4.79 -0.38 0.00 1.01 -1.02 -4.84 120.40 117.73 2hkr s VAL 83 Ca 0.37 2.03 0.03 0.00 0.00 0.00 0.00 61.98 64.40 2hkr s VAL 83 Cb 0.38 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.55 2hkr s VAL 83 CO -0.09 0.01 0.11 -0.62 0.00 0.00 0.00 175.10 174.51 2hkr s ASP 84 N 1.09 4.82 0.00 3.32 2.15 -1.26 -0.77 116.67 126.03 2hkr s ASP 84 Ca 0.48 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.22 2hkr s ASP 84 Cb -0.18 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2hkr s ASP 84 CO 0.18 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2hkr n GLY 85 N 4.18 -0.38 3.75 2.66 0.00 -0.46 -4.96 105.19 109.98 2hkr n GLY 85 Ca 0.03 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 2hkr n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hkr s PHE 86 N -2.94 3.44 -0.01 1.61 0.40 -1.26 -0.37 117.98 118.85 2hkr s PHE 86 Ca 0.00 0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 56.43 2hkr s PHE 86 Cb 0.00 -2.17 -0.07 0.00 0.51 0.00 0.00 43.02 41.30 2hkr s PHE 86 CO 0.00 0.34 1.65 -0.51 0.70 0.00 0.00 175.22 177.40 2hkr s LEU 87 N 0.21 4.34 0.58 -0.37 1.43 -0.55 -0.04 118.68 124.27 2hkr s LEU 87 Ca 0.10 2.32 0.28 0.00 -1.03 0.00 0.00 54.13 55.80 2hkr s LEU 87 Cb -0.11 -3.54 1.72 0.00 0.03 0.00 0.00 46.19 44.28 2hkr s LEU 87 CO -0.00 -0.90 2.22 0.00 0.23 0.00 0.00 176.35 177.89 2hkr h SER 89 N 0.00 0.00 -0.05 0.00 4.64 -1.74 -0.30 113.55 116.10 2hkr h SER 89 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2hkr h SER 89 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2hkr h SER 89 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2hkr n GLY 92 N -1.14 0.75 0.00 0.00 0.00 -1.23 -4.69 105.19 98.87 2hkr n GLY 92 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2hkr n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hkr n GLY 93 N -2.22 5.17 1.68 -0.02 0.00 -0.81 -4.38 105.19 104.61 2hkr n GLY 93 Ca 0.00 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 2hkr n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hkr n THR 94 N 0.00 0.00 0.30 2.61 -2.24 -0.73 -4.24 114.28 109.98 2hkr n THR 94 Ca 0.00 -1.25 0.17 0.00 -2.27 0.00 0.00 64.05 60.70 2hkr n THR 94 Cb 0.00 0.58 0.94 0.00 -2.10 0.00 0.00 70.33 69.75 2hkr n THR 94 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2hkr h THR 95 N 1.50 0.35 0.00 4.28 1.35 -1.92 -3.06 112.91 115.42 2hkr h THR 95 Ca -0.13 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2hkr h THR 95 Cb 0.62 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2hkr h THR 95 CO 0.20 0.03 -0.04 0.35 -0.25 0.00 0.00 175.52 175.81 2hkr n THR 96 N -3.52 0.91 -3.91 6.82 -2.24 -1.26 -1.94 114.28 109.14 2hkr n THR 96 Ca -0.02 -0.99 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 2hkr n THR 96 Cb 0.14 0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.67 2hkr n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hkr s THR 97 N -1.12 0.06 0.36 4.28 -4.23 -1.16 -5.10 115.64 108.73 2hkr s THR 97 Ca 0.07 -0.14 -0.25 0.00 -1.18 0.00 0.00 61.69 60.18 2hkr s THR 97 Cb 0.06 -0.08 -0.09 0.00 1.34 0.00 0.00 72.50 73.73 2hkr s THR 97 CO 0.01 -0.05 1.01 0.00 -0.54 0.00 0.00 174.62 175.04 2hkr n PRO 99 N 0.30 0.53 -1.60 0.00 -0.02 -1.26 -4.69 135.00 128.26 2hkr n PRO 99 Ca 0.03 0.23 -0.49 0.00 -2.02 0.00 0.00 63.50 61.25 2hkr n PRO 99 Cb 0.49 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 2hkr n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hkr n PRO 100 N -1.18 1.35 -0.95 0.52 -0.02 -1.26 -1.83 135.00 131.62 2hkr n PRO 100 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2hkr n PRO 100 Cb 0.49 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2hkr n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hkr n GLY 101 N 2.32 0.70 3.58 -1.23 0.00 -1.26 -5.02 105.19 104.27 2hkr n GLY 101 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2hkr n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hkr s SER 102 N -2.38 4.48 -0.14 1.61 1.04 -0.76 -4.72 113.70 112.81 2hkr s SER 102 Ca 0.00 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 2hkr s SER 102 Cb 0.00 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 2hkr s SER 102 CO 0.00 0.23 -0.05 -0.89 0.98 0.00 0.00 173.24 173.51 2hkr s THR 103 N -1.10 3.76 0.51 2.02 2.01 -0.02 -4.73 115.64 118.09 2hkr s THR 103 Ca 0.19 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 2hkr s THR 103 Cb -0.11 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.71 2hkr s THR 103 CO 0.11 0.51 1.37 -2.84 -0.69 0.00 0.00 174.62 173.07 2hkr s PRO 104 N 0.26 3.36 0.20 4.92 0.02 -1.26 -0.44 135.00 142.06 2hkr s PRO 104 Ca -0.04 2.26 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 2hkr s PRO 104 Cb -0.14 -2.40 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 2hkr s PRO 104 CO 0.03 -1.02 0.96 -1.54 -0.33 0.00 0.00 177.00 175.10 2hkr s SER 105 N -0.84 7.58 0.12 2.53 1.04 0.35 -4.87 113.70 119.61 2hkr s SER 105 Ca 0.68 1.92 0.24 0.00 0.48 0.00 0.00 55.95 59.27 2hkr s SER 105 Cb -0.41 -2.60 0.94 0.00 0.10 0.00 0.00 66.02 64.05 2hkr s SER 105 CO 0.49 0.07 1.75 -0.81 0.98 0.00 0.00 173.24 175.72 2hkr n PRO 106 N 1.92 0.13 -4.40 4.02 -0.04 -1.26 -4.71 135.00 130.65 2hkr n PRO 106 Ca -0.00 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 2hkr n PRO 106 Cb 0.48 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 2hkr n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2hkr s ILE 107 N -3.10 1.84 0.00 0.52 -4.36 -1.26 -5.14 121.20 109.69 2hkr s ILE 107 Ca 0.10 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 2hkr s ILE 107 Cb 0.13 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.59 2hkr s ILE 107 CO 0.48 -0.44 0.00 -1.54 0.24 0.00 0.00 174.94 173.67 2hkr n SER 108 N -0.51 0.99 -3.61 4.36 3.41 -1.26 -4.55 113.62 112.45 2hkr n SER 108 Ca -0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.40 2hkr n SER 108 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2hkr n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hkr s ILE 110 N 0.98 0.00 0.19 -1.33 -1.09 -0.11 -4.87 121.20 114.97 2hkr s ILE 110 Ca 0.00 -0.00 0.10 0.00 -2.23 0.00 0.00 60.65 58.52 2hkr s ILE 110 Cb 0.00 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 2hkr s ILE 110 CO 0.00 -0.00 -0.21 -0.83 -1.23 0.00 0.00 174.94 172.66 2hkr s GLY 111 N 0.02 1.62 -0.28 6.18 0.00 0.57 -4.59 107.32 110.84 2hkr s GLY 111 Ca -0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 2hkr s GLY 111 CO 0.03 -1.66 0.02 -1.59 0.00 0.00 0.00 173.10 169.90 2hkr s THR 112 N -1.91 3.43 0.06 0.90 2.01 -1.26 -0.61 115.64 118.25 2hkr s THR 112 Ca 0.20 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.39 2hkr s THR 112 Cb -0.07 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2hkr s THR 112 CO 0.09 0.11 -0.24 0.00 -0.69 0.00 0.00 174.62 173.89 2hkr s HIS 114 N -0.88 3.44 -0.28 0.00 2.46 -1.26 -0.81 115.29 117.95 2hkr s HIS 114 Ca 0.13 0.96 -0.23 0.00 0.47 0.00 0.00 55.06 56.39 2hkr s HIS 114 Cb -0.10 -2.73 -0.00 0.00 -0.13 0.00 0.00 32.58 29.61 2hkr s HIS 114 CO 0.04 -0.05 0.78 1.21 -2.47 0.00 0.00 174.74 174.25 2hkr s ASN 115 N 1.00 6.70 0.00 9.88 3.84 0.17 -4.88 114.94 131.65 2hkr s ASN 115 Ca 0.29 0.77 0.24 0.00 0.21 0.00 0.00 52.86 54.37 2hkr s ASN 115 Cb -0.16 -2.41 1.18 0.00 -0.55 0.00 0.00 41.25 39.31 2hkr s ASN 115 CO 0.12 -0.56 1.78 -0.81 -2.79 0.00 0.00 177.10 174.84 2hkr n PRO 116 N 6.10 0.30 -0.08 0.43 -0.04 -1.26 -1.19 135.00 139.25 2hkr n PRO 116 Ca 0.04 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2hkr n PRO 116 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2hkr n PRO 116 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2hkr n HIS 117 N -1.31 0.77 1.07 0.54 8.25 -1.26 -4.62 115.22 118.66 2hkr n HIS 117 Ca 0.11 0.33 0.12 0.00 -0.26 0.00 0.00 57.72 58.02 2hkr n HIS 117 Cb 0.20 -0.81 0.10 0.00 1.12 0.00 0.00 29.99 30.60 2hkr n HIS 117 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2hkr n ASP 118 N -4.54 1.80 -0.02 0.41 5.68 -1.24 -4.97 116.55 113.66 2hkr n ASP 118 Ca -0.15 -1.37 -0.00 0.00 -0.50 0.00 0.00 54.79 52.76 2hkr n ASP 118 Cb 0.41 0.38 -0.00 0.00 -1.14 0.00 0.00 41.12 40.77 2hkr n ASP 118 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hkr n GLY 119 N 1.40 0.34 3.93 6.12 0.00 -0.33 -5.01 105.19 111.63 2hkr n GLY 119 Ca 0.10 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2hkr n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hkr s LYS 120 N -0.83 3.51 -0.04 1.61 1.02 -1.24 -4.82 119.74 118.95 2hkr s LYS 120 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 2hkr s LYS 120 Cb 0.00 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2hkr s LYS 120 CO 0.00 0.42 0.34 -0.51 -0.92 0.00 0.00 175.35 174.68 2hkr s ASP 121 N -3.17 6.69 0.04 2.83 1.01 -1.26 -0.66 116.67 122.16 2hkr s ASP 121 Ca 0.38 0.83 0.06 0.00 0.71 0.00 0.00 52.55 54.53 2hkr s ASP 121 Cb -0.11 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2hkr s ASP 121 CO 0.29 0.34 -0.18 -0.31 0.21 0.00 0.00 175.17 175.52 2hkr s TYR 122 N -1.00 1.54 -0.12 4.23 1.51 0.01 -0.86 117.35 122.67 2hkr s TYR 122 Ca 0.21 -0.37 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 2hkr s TYR 122 Cb -0.15 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 2hkr s TYR 122 CO 0.11 0.07 0.94 -0.51 -1.11 0.00 0.00 175.55 175.05 2hkr s LEU 123 N -1.20 4.23 -0.14 -1.29 1.43 0.47 -0.91 118.68 121.28 2hkr s LEU 123 Ca 0.05 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2hkr s LEU 123 Cb -0.08 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 2hkr s LEU 123 CO 0.02 -0.41 -0.15 -0.63 0.23 0.00 0.00 176.35 175.40 2hkr s ILE 124 N 1.96 2.76 -0.27 -0.59 -1.09 0.22 -0.85 121.20 123.33 2hkr s ILE 124 Ca 0.45 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 58.01 2hkr s ILE 124 Cb -0.18 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 2hkr s ILE 124 CO 0.17 0.52 0.17 -0.94 -1.23 0.00 0.00 174.94 173.63 2hkr s SER 125 N 0.55 5.89 -1.16 3.58 1.04 0.82 -0.32 113.70 124.12 2hkr s SER 125 Ca -0.10 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.24 2hkr s SER 125 Cb -0.16 -2.09 0.25 0.00 0.10 0.00 0.00 66.02 64.13 2hkr s SER 125 CO 0.04 -0.03 1.50 -1.22 0.98 0.00 0.00 173.24 174.51 2hkr n TYR 126 N 4.91 3.42 -2.31 5.02 4.02 -1.26 -1.31 117.16 129.64 2hkr n TYR 126 Ca -0.15 -3.01 -0.40 0.00 -0.01 0.00 0.00 57.90 54.33 2hkr n TYR 126 Cb 0.52 -1.65 -0.03 0.00 -0.02 0.00 0.00 39.34 38.16 2hkr n TYR 126 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2hkr s HIS 127 N -1.12 3.26 0.40 -0.72 3.76 -1.25 -4.69 115.29 114.93 2hkr s HIS 127 Ca 0.35 1.57 -0.00 0.00 -0.15 0.00 0.00 55.06 56.82 2hkr s HIS 127 Cb 0.02 -3.44 -0.02 0.00 1.11 0.00 0.00 32.58 30.25 2hkr s HIS 127 CO 0.03 -1.19 0.62 -0.51 -0.85 0.00 0.00 174.74 172.84 2hkr s ASP 128 N -0.83 6.10 -0.09 1.40 1.01 -1.26 -0.84 116.67 122.16 2hkr s ASP 128 Ca 0.49 0.43 -0.01 0.00 0.71 0.00 0.00 52.55 54.18 2hkr s ASP 128 Cb -0.34 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 2hkr s ASP 128 CO 0.44 -0.49 -0.05 0.00 0.21 0.00 0.00 175.17 175.29 2hkr n GLY 131 N -0.31 0.63 3.08 0.00 0.00 0.19 -0.84 105.19 107.94 2hkr n GLY 131 Ca -0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2hkr n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hkr s LYS 132 N -0.40 0.58 0.93 1.61 1.02 -1.26 -4.93 119.74 117.31 2hkr s LYS 132 Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 54.95 2hkr s LYS 132 Cb 0.00 -0.18 0.15 0.00 -0.52 0.00 0.00 37.83 37.28 2hkr s LYS 132 CO 0.00 0.01 1.10 0.95 -0.92 0.00 0.00 175.35 176.49 2hkr s THR 133 N -2.14 2.35 0.11 2.17 -4.23 -1.26 -3.27 115.64 109.37 2hkr s THR 133 Ca -0.04 0.11 -0.35 0.00 -1.18 0.00 0.00 61.69 60.23 2hkr s THR 133 Cb -0.05 -2.66 -0.15 0.00 1.34 0.00 0.00 72.50 70.98 2hkr s THR 133 CO -0.02 -0.15 1.51 0.00 -0.54 0.00 0.00 174.62 175.42 2hkr n ALA 134 N -3.96 0.45 -0.18 3.99 0.00 -1.20 -4.57 120.51 115.04 2hkr n ALA 134 Ca 0.06 0.46 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 2hkr n ALA 134 Cb 0.57 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.78 2hkr n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hkr n GLY 136 N -0.95 1.39 3.60 0.00 0.00 -1.26 -5.02 105.19 102.95 2hkr n GLY 136 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2hkr n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hkr s ARG 137 N -0.27 2.52 -1.22 1.61 0.52 -1.26 -4.69 118.95 116.16 2hkr s ARG 137 Ca 0.00 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 2hkr s ARG 137 Cb 0.00 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 2hkr s ARG 137 CO 0.00 0.59 0.80 0.00 0.02 0.00 0.00 175.30 176.72 2hkr s GLN 139 N -5.61 4.33 0.13 0.00 0.74 -1.26 -1.49 119.66 116.51 2hkr s GLN 139 Ca 0.13 2.04 0.06 0.00 0.05 0.00 0.00 55.36 57.63 2hkr s GLN 139 Cb -0.03 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2hkr s GLN 139 CO 0.79 -0.41 -0.14 0.00 -0.55 0.00 0.00 175.29 174.98 2hkr n ASN 141 N 0.43 -0.26 -4.89 0.00 5.15 -1.15 -1.35 115.26 113.19 2hkr n ASN 141 Ca -0.15 -3.25 -0.33 0.00 -0.60 0.00 0.00 54.58 50.26 2hkr n ASN 141 Cb 0.57 0.25 -0.05 0.00 -0.53 0.00 0.00 39.78 40.03 2hkr n ASN 141 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hkr s THR 142 N -1.50 5.23 -0.04 -0.44 2.01 0.05 -4.95 115.64 115.99 2hkr s THR 142 Ca 0.34 0.05 0.12 0.00 0.31 0.00 0.00 61.69 62.50 2hkr s THR 142 Cb 0.33 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 69.44 2hkr s THR 142 CO -0.07 0.16 1.10 0.00 -0.69 0.00 0.00 174.62 175.12 2hkr n GLN 143 N 0.47 0.38 -1.70 4.92 1.13 -1.12 -3.46 117.38 117.99 2hkr n GLN 143 Ca -0.06 -1.78 -0.42 0.00 -1.94 0.00 0.00 57.00 52.80 2hkr n GLN 143 Cb 0.52 -0.64 -0.03 0.00 0.11 0.00 0.00 30.24 30.20 2hkr n GLN 143 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2hkr s THR 144 N -0.82 3.09 -0.23 5.09 2.01 -0.45 -1.90 115.64 122.43 2hkr s THR 144 Ca 0.19 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2hkr s THR 144 Cb 0.19 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.63 2hkr s THR 144 CO -0.05 -0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.40 2hkr n ARG 145 N 7.69 -1.26 -2.35 4.92 1.74 -1.26 -4.56 116.66 121.58 2hkr n ARG 145 Ca 0.21 0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 57.32 2hkr n ARG 145 Cb 0.42 -4.43 -0.03 0.00 -1.02 0.00 0.00 32.46 27.39 2hkr n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2hkr s GLU 146 N -1.60 4.49 0.14 5.56 -6.30 -0.80 -4.93 118.70 115.26 2hkr s GLU 146 Ca 0.00 1.93 0.04 0.00 -2.50 0.00 0.00 54.97 54.44 2hkr s GLU 146 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 34.13 30.99 2hkr s GLU 146 CO 0.00 0.03 -0.09 1.03 0.02 0.00 0.00 175.26 176.25 2hkr s ARG 147 N -1.66 1.03 1.25 4.30 1.81 -0.96 -5.03 118.95 119.70 2hkr s ARG 147 Ca 0.47 -1.44 -0.20 0.00 -1.72 0.00 0.00 55.73 52.84 2hkr s ARG 147 Cb -0.34 -0.55 0.30 0.00 -0.45 0.00 0.00 34.95 33.92 2hkr s ARG 147 CO 0.44 0.05 1.09 -2.14 -0.68 0.00 0.00 175.30 174.07 2hkr s PRO 148 N -3.77 -1.57 0.13 3.54 0.02 -1.26 -3.58 135.00 128.51 2hkr s PRO 148 Ca 0.16 -0.11 0.18 0.00 0.02 0.00 0.00 61.00 61.25 2hkr s PRO 148 Cb 0.03 -1.56 0.76 0.00 0.02 0.00 0.00 34.50 33.75 2hkr s PRO 148 CO -0.00 -3.93 1.55 0.41 -0.33 0.00 0.00 177.00 174.70 2hkr n GLY 149 N -0.72 -1.08 0.00 0.52 0.00 -1.26 -0.75 105.19 101.91 2hkr n GLY 149 Ca 0.14 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2hkr n GLY 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2hkr n TYR 150 N -1.85 0.00 -3.55 1.61 0.18 -1.26 -2.93 117.16 109.35 2hkr n TYR 150 Ca 0.02 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.53 2hkr n TYR 150 Cb 0.18 -0.32 -0.09 0.00 -0.38 0.00 0.00 39.34 38.73 2hkr n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2hkr n GLU 151 N -1.32 2.19 -0.33 -3.48 1.02 0.07 -5.02 120.64 113.78 2hkr n GLU 151 Ca 0.10 -4.52 -0.04 0.00 -0.02 0.00 0.00 57.16 52.69 2hkr n GLU 151 Cb 0.20 -2.20 0.09 0.00 -0.02 0.00 0.00 31.44 29.50 2hkr n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2hkr h PHE 152 N 4.55 1.16 -0.05 -0.32 3.57 -1.68 -0.66 116.94 123.52 2hkr h PHE 152 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2hkr h PHE 152 Cb 0.70 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2hkr h PHE 152 CO 0.68 0.76 0.00 1.19 -2.23 0.00 0.00 178.31 178.72 2hkr n PHE 153 N -4.41 0.06 0.02 0.41 3.01 -1.26 -2.11 117.46 113.17 2hkr n PHE 153 Ca 0.10 -0.03 0.09 0.00 1.01 0.00 0.00 57.45 58.62 2hkr n PHE 153 Cb 0.05 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.72 2hkr n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2hkr n LEU 154 N -0.46 3.24 -4.55 4.37 4.77 -0.26 -0.93 117.00 123.18 2hkr n LEU 154 Ca 0.14 -1.71 -0.34 0.00 -0.03 0.00 0.00 56.01 54.08 2hkr n LEU 154 Cb 0.14 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 2hkr n LEU 154 CO 0.11 0.75 -0.34 -2.28 -1.33 0.00 0.00 177.39 174.30 2hkr s HIS 155 N -1.16 3.05 -0.09 -1.77 2.46 -0.90 -2.26 115.29 114.62 2hkr s HIS 155 Ca 0.33 -0.14 0.14 0.00 0.47 0.00 0.00 55.06 55.86 2hkr s HIS 155 Cb 0.19 -1.89 0.21 0.00 -0.13 0.00 0.00 32.58 30.95 2hkr s HIS 155 CO 0.25 0.12 1.11 0.27 -2.47 0.00 0.00 174.74 174.02 2hkr n ASN 156 N 3.07 2.24 -1.45 9.88 0.23 -1.26 -4.52 115.26 123.44 2hkr n ASN 156 Ca -0.18 -2.78 0.08 0.00 -0.53 0.00 0.00 54.58 51.17 2hkr n ASN 156 Cb 0.53 -0.31 0.32 0.00 -2.08 0.00 0.00 39.78 38.23 2hkr n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2hkr n ASP 157 N -1.17 4.29 -4.44 0.53 8.00 -1.26 -4.67 116.55 117.83 2hkr n ASP 157 Ca 0.12 -2.44 -0.26 0.00 0.71 0.00 0.00 54.79 52.92 2hkr n ASP 157 Cb 0.53 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 2hkr n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2hkr s VAL 158 N -1.90 2.41 -0.56 2.53 -7.23 -1.26 -5.10 120.40 109.30 2hkr s VAL 158 Ca 0.45 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 58.21 2hkr s VAL 158 Cb 0.29 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 35.08 2hkr s VAL 158 CO 0.20 -0.20 1.14 0.21 -0.31 0.00 0.00 175.10 176.14 2hkr s ASN 159 N -2.92 6.46 0.00 4.85 2.47 -1.26 -4.89 114.94 119.65 2hkr s ASN 159 Ca 0.24 0.09 0.21 0.00 0.42 0.00 0.00 52.86 53.81 2hkr s ASN 159 Cb -0.07 -2.53 1.22 0.00 -1.45 0.00 0.00 41.25 38.42 2hkr s ASN 159 CO 0.11 -1.40 1.62 0.79 -3.72 0.00 0.00 177.10 174.50 2hkr n TRP 160 N 8.17 0.00 1.96 0.43 7.02 -1.26 -1.19 117.44 132.57 2hkr n TRP 160 Ca 0.08 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.67 2hkr n TRP 160 Cb 0.49 -0.01 0.68 0.00 -2.42 0.00 0.00 31.31 30.04 2hkr n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hkr h MET 162 N 0.00 0.00 -0.14 0.00 -0.00 -1.43 -1.41 114.93 111.95 2hkr h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2hkr h MET 162 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2hkr h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2hkr n ALA 163 N -2.22 2.41 -1.48 -3.00 0.00 -1.26 -4.91 120.51 110.06 2hkr n ALA 163 Ca -0.01 -0.78 -0.31 0.00 0.00 0.00 0.00 53.44 52.34 2hkr n ALA 163 Cb 0.20 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.16 2hkr n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hkr s ASN 164 N -1.23 5.13 0.27 0.00 0.02 -0.53 -4.94 114.94 113.66 2hkr s ASN 164 Ca 0.22 1.67 -0.00 0.00 -1.02 0.00 0.00 52.86 53.73 2hkr s ASN 164 Cb 0.14 -2.49 0.51 0.00 0.02 0.00 0.00 41.25 39.42 2hkr s ASN 164 CO 0.20 -1.61 1.84 -0.08 0.02 0.00 0.00 177.10 177.46 2hkr h GLU 165 N -0.84 0.95 -4.85 -0.60 4.81 -1.95 -3.33 114.58 108.78 2hkr h GLU 165 Ca -0.44 -0.06 -0.63 0.00 -0.13 0.00 0.00 59.36 58.11 2hkr h GLU 165 Cb 1.22 -0.22 -0.35 0.00 0.63 0.00 0.00 28.75 30.03 2hkr h GLU 165 CO 0.55 0.63 -0.84 1.21 -0.73 0.00 0.00 179.01 179.83 2hkr s ASN 166 N -5.70 2.81 0.00 1.04 3.84 -1.26 -5.03 114.94 110.64 2hkr s ASN 166 Ca -0.12 -0.53 0.25 0.00 0.21 0.00 0.00 52.86 52.66 2hkr s ASN 166 Cb 0.21 -1.27 1.14 0.00 -0.55 0.00 0.00 41.25 40.78 2hkr s ASN 166 CO 0.80 -0.01 1.77 -1.54 -2.79 0.00 0.00 177.10 175.34 2hkr n SER 167 N 4.54 0.95 -4.73 -4.21 3.41 -1.25 -3.23 113.62 109.10 2hkr n SER 167 Ca -0.19 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.55 2hkr n SER 167 Cb 0.50 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2hkr n SER 167 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2hkr s THR 168 N -1.94 2.36 -0.16 6.66 2.01 -1.26 -4.69 115.64 118.63 2hkr s THR 168 Ca 0.36 0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.40 2hkr s THR 168 Cb 0.18 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 2hkr s THR 168 CO 0.29 0.03 0.72 0.12 -0.69 0.00 0.00 174.62 175.09 2hkr s PHE 169 N 0.87 3.43 -0.16 4.92 5.36 -1.26 -0.64 117.98 130.51 2hkr s PHE 169 Ca 0.69 1.12 -0.14 0.00 -0.96 0.00 0.00 56.93 57.64 2hkr s PHE 169 Cb -0.46 -2.88 -0.06 0.00 -0.34 0.00 0.00 43.02 39.28 2hkr s PHE 169 CO 0.35 -0.14 -0.29 1.58 -1.46 0.00 0.00 175.22 175.26 2hkr n HIS 170 N 4.84 0.00 -3.82 10.12 -0.00 -0.46 -3.27 115.22 122.64 2hkr n HIS 170 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 2hkr n HIS 170 Cb 0.50 -0.52 -0.02 0.00 -0.00 0.00 0.00 29.99 29.95 2hkr n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2hkr s THR 172 N -3.57 2.46 0.37 0.00 2.01 0.94 -0.40 115.64 117.45 2hkr s THR 172 Ca 0.12 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.28 2hkr s THR 172 Cb -0.04 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.52 2hkr s THR 172 CO 0.05 0.56 0.48 0.42 -0.69 0.00 0.00 174.62 175.45 2hkr s THR 173 N -0.12 3.62 -0.45 -0.82 -4.23 -0.02 -1.44 115.64 112.19 2hkr s THR 173 Ca -0.04 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2hkr s THR 173 Cb -0.14 -3.24 0.15 0.00 1.34 0.00 0.00 72.50 70.61 2hkr s THR 173 CO 0.04 -0.10 0.28 -0.44 -0.54 0.00 0.00 174.62 173.86 2hkr s SER 174 N -4.21 3.23 -0.26 3.99 0.01 -0.82 -3.87 113.70 111.77 2hkr s SER 174 Ca 0.48 -2.78 -0.16 0.00 1.31 0.00 0.00 55.95 54.80 2hkr s SER 174 Cb -0.09 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 2hkr s SER 174 CO 0.31 -0.23 0.41 -0.69 0.41 0.00 0.00 173.24 173.44 2hkr s VAL 175 N 0.21 5.15 -0.13 3.43 1.01 -0.43 -4.73 120.40 124.92 2hkr s VAL 175 Ca 0.22 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2hkr s VAL 175 Cb -0.16 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2hkr s VAL 175 CO -0.06 0.15 1.41 -0.22 0.00 0.00 0.00 175.10 176.38 2hkr s LEU 176 N 2.05 4.21 -0.20 3.92 1.98 -1.26 -0.12 118.68 129.26 2hkr s LEU 176 Ca 0.17 1.86 -0.20 0.00 -2.89 0.00 0.00 54.13 53.07 2hkr s LEU 176 Cb -0.16 -3.54 -0.17 0.00 0.66 0.00 0.00 46.19 42.99 2hkr s LEU 176 CO 0.09 -0.84 0.17 0.58 -1.89 0.00 0.00 176.35 174.47 2hkr h VAL 177 N 5.55 0.80 0.00 1.68 2.07 -1.36 -3.48 116.25 121.52 2hkr h VAL 177 Ca -0.31 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.20 2hkr h VAL 177 Cb 1.13 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2hkr h VAL 177 CO 0.97 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.44 2hkr n GLY 178 N 1.47 -1.26 3.77 2.17 0.00 -1.20 -5.00 105.19 105.13 2hkr n GLY 178 Ca -0.28 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2hkr n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hkr s LEU 179 N 0.00 4.41 0.00 0.99 1.43 -1.26 -0.40 118.68 123.85 2hkr s LEU 179 Ca 0.00 2.71 0.20 0.00 -1.03 0.00 0.00 54.13 56.01 2hkr s LEU 179 Cb 0.00 -3.65 1.22 0.00 0.03 0.00 0.00 46.19 43.79 2hkr s LEU 179 CO 0.00 -0.59 1.60 0.00 0.23 0.00 0.00 176.35 177.60