#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cc3 s PRO 89 N 0.00 4.28 -0.04 1.61 0.02 -1.26 -5.04 135.00 134.58 2cc3 s PRO 89 Ca 0.00 1.83 -0.02 0.00 0.02 0.00 0.00 61.00 62.84 2cc3 s PRO 89 Cb 0.00 -3.66 -0.04 0.00 0.02 0.00 0.00 34.50 30.82 2cc3 s PRO 89 CO 0.00 -0.60 0.07 -1.01 -0.33 0.00 0.00 177.00 175.13 2cc3 s HIS 90 N 2.79 3.30 0.02 6.54 3.76 -1.26 -5.12 115.29 125.32 2cc3 s HIS 90 Ca 0.60 0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.76 2cc3 s HIS 90 Cb -0.27 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 2cc3 s HIS 90 CO 0.23 0.56 -0.02 0.00 -0.85 0.00 0.00 174.74 174.65 2cc3 s MET 91 N -1.47 0.26 0.67 1.40 0.23 -1.26 -5.15 119.30 113.99 2cc3 s MET 91 Ca 0.20 -0.51 -0.16 0.00 -1.03 0.00 0.00 55.69 54.18 2cc3 s MET 91 Cb -0.12 0.09 0.01 0.00 -1.53 0.00 0.00 34.83 33.28 2cc3 s MET 91 CO 0.10 -0.04 1.20 0.95 -2.03 0.00 0.00 175.02 175.20 2cc3 s THR 92 N -1.23 2.49 0.37 3.16 -4.23 -1.26 -4.88 115.64 110.06 2cc3 s THR 92 Ca -0.13 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 2cc3 s THR 92 Cb -0.08 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 71.00 2cc3 s THR 92 CO -0.01 -0.11 1.91 -0.61 -0.54 0.00 0.00 174.62 175.27 2cc3 h GLN 93 N 0.17 0.39 -0.31 3.99 4.15 -2.01 -1.02 115.11 120.47 2cc3 h GLN 93 Ca -0.49 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 58.87 2cc3 h GLN 93 Cb 1.29 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 2cc3 h GLN 93 CO 0.52 0.45 0.17 1.49 -1.93 0.00 0.00 178.83 179.53 2cc3 h GLU 94 N 0.37 0.34 -0.38 1.69 4.57 -1.99 0.21 114.58 119.40 2cc3 h GLU 94 Ca 0.08 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2cc3 h GLU 94 Cb 0.32 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2cc3 h GLU 94 CO 0.01 0.23 -0.06 1.49 -1.18 0.00 0.00 179.01 179.50 2cc3 h GLU 95 N 0.35 0.63 -0.19 1.92 4.81 -1.89 -1.08 114.58 119.13 2cc3 h GLU 95 Ca 0.13 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2cc3 h GLU 95 Cb 0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2cc3 h GLU 95 CO -0.07 0.69 0.02 0.00 -0.73 0.00 0.00 179.01 178.91 2cc3 h ALA 96 N 1.36 0.25 -0.56 2.92 0.00 -0.46 -2.53 119.26 120.23 2cc3 h ALA 96 Ca 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2cc3 h ALA 96 Cb 0.46 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2cc3 h ALA 96 CO 0.02 -0.06 0.33 0.28 0.00 0.00 0.00 179.25 179.82 2cc3 h VAL 97 N 0.10 1.02 -0.12 0.00 2.07 -0.48 -1.87 116.25 116.97 2cc3 h VAL 97 Ca 0.06 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2cc3 h VAL 97 Cb 0.35 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2cc3 h VAL 97 CO 0.01 0.12 -0.34 0.58 0.02 0.00 0.00 177.57 177.95 2cc3 h VAL 98 N 0.63 0.26 -0.70 2.57 2.07 -1.12 -0.65 116.25 119.31 2cc3 h VAL 98 Ca 0.24 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 2cc3 h VAL 98 Cb 0.07 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2cc3 h VAL 98 CO -0.12 0.00 0.21 0.78 0.02 0.00 0.00 177.57 178.46 2cc3 h ASN 99 N -0.42 1.02 -0.36 0.57 2.35 -1.22 -0.46 115.58 117.05 2cc3 h ASN 99 Ca 0.09 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 2cc3 h ASN 99 Cb 0.56 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2cc3 h ASN 99 CO -0.36 0.96 0.14 0.00 -1.65 0.00 0.00 177.43 176.52 2cc3 h ALA 100 N 1.10 0.47 -0.15 -0.83 0.00 -1.30 -2.05 119.26 116.49 2cc3 h ALA 100 Ca 0.22 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2cc3 h ALA 100 Cb 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2cc3 h ALA 100 CO -0.01 0.07 -0.63 0.77 0.00 0.00 0.00 179.25 179.46 2cc3 h SER 101 N 0.44 0.63 -0.01 0.00 0.02 -0.40 -1.35 113.55 112.88 2cc3 h SER 101 Ca 0.12 -0.36 -0.16 0.00 -0.84 0.00 0.00 61.79 60.55 2cc3 h SER 101 Cb 0.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2cc3 h SER 101 CO -0.01 1.10 -0.53 -0.07 -1.14 0.00 0.00 176.83 176.18 2cc3 h LEU 102 N 0.41 0.64 -0.29 5.07 3.38 -1.16 0.64 115.31 124.00 2cc3 h LEU 102 Ca -0.01 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 2cc3 h LEU 102 Cb 1.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2cc3 h LEU 102 CO 0.12 1.05 -0.23 -0.25 0.09 0.00 0.00 178.44 179.22 2cc3 h TRP 103 N 0.45 0.78 -0.84 1.13 2.91 -1.35 0.59 115.95 119.62 2cc3 h TRP 103 Ca 0.01 -0.22 0.03 0.00 1.13 0.00 0.00 58.89 59.84 2cc3 h TRP 103 Cb 1.07 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 29.50 2cc3 h TRP 103 CO 0.05 0.93 0.54 1.49 -1.03 0.00 0.00 178.44 180.43 2cc3 h GLU 104 N 0.40 1.04 0.29 2.65 4.81 -1.14 0.49 114.58 123.11 2cc3 h GLU 104 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2cc3 h GLU 104 Cb 0.78 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2cc3 h GLU 104 CO 0.06 0.69 -0.47 -0.92 -0.73 0.00 0.00 179.01 177.63 2cc3 h TYR 105 N 1.07 -1.32 -0.23 0.92 3.20 -0.57 0.19 116.97 120.23 2cc3 h TYR 105 Ca 0.33 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.28 2cc3 h TYR 105 Cb -0.01 0.54 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 2cc3 h TYR 105 CO -0.02 -0.59 -0.21 0.28 -1.64 0.00 0.00 178.16 175.97 2cc3 h VAL 106 N -0.82 0.44 -0.11 1.81 2.07 -0.56 0.10 116.25 119.17 2cc3 h VAL 106 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2cc3 h VAL 106 Cb 0.77 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2cc3 h VAL 106 CO -0.17 0.00 0.00 -0.09 0.02 0.00 0.00 177.57 177.34 2cc3 h ARG 107 N -0.22 0.04 -0.41 1.57 2.43 0.27 0.10 114.38 118.16 2cc3 h ARG 107 Ca 0.13 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2cc3 h ARG 107 Cb 0.43 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2cc3 h ARG 107 CO -0.36 0.03 0.07 -0.07 -1.51 0.00 0.00 179.97 178.12 2cc3 h LEU 108 N 0.04 0.58 -0.07 3.80 3.38 -0.33 -0.66 115.31 122.05 2cc3 h LEU 108 Ca 0.05 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 2cc3 h LEU 108 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2cc3 h LEU 108 CO -0.09 0.61 -1.04 -0.09 0.09 0.00 0.00 178.44 177.92 2cc3 h ARG 109 N 0.61 0.24 0.00 1.13 2.43 -0.36 -3.36 114.38 115.07 2cc3 h ARG 109 Ca 0.14 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2cc3 h ARG 109 Cb 0.28 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2cc3 h ARG 109 CO 0.00 1.09 -1.51 0.39 -1.51 0.00 0.00 179.97 178.43 2cc3 n GLU 110 N -3.59 0.63 -1.61 0.20 -0.58 0.30 -4.92 120.64 111.07 2cc3 n GLU 110 Ca -0.06 -0.11 -0.31 0.00 -0.42 0.00 0.00 57.16 56.27 2cc3 n GLU 110 Cb 0.91 -1.44 0.05 0.00 -0.57 0.00 0.00 31.44 30.39 2cc3 n GLU 110 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2cc3 s SER 111 N -3.70 5.30 -0.15 1.62 0.01 -0.27 -4.81 113.70 111.70 2cc3 s SER 111 Ca -0.02 1.51 -0.08 0.00 1.31 0.00 0.00 55.95 58.67 2cc3 s SER 111 Cb 0.13 -2.37 0.05 0.00 0.21 0.00 0.00 66.02 64.04 2cc3 s SER 111 CO 0.81 -1.48 0.35 -0.47 0.41 0.00 0.00 173.24 172.86 2cc3 s TYR 112 N -3.10 -0.50 -0.19 2.43 5.04 -0.45 -4.89 117.35 115.69 2cc3 s TYR 112 Ca 0.58 1.11 -0.07 0.00 -2.44 0.00 0.00 57.07 56.25 2cc3 s TYR 112 Cb -0.14 0.19 0.08 0.00 0.35 0.00 0.00 41.96 42.45 2cc3 s TYR 112 CO 0.55 -0.30 0.41 0.34 -1.34 0.00 0.00 175.55 175.21 2cc3 s ASP 113 N 1.27 -0.28 0.43 4.32 2.15 -1.26 -1.86 116.67 121.44 2cc3 s ASP 113 Ca -0.09 0.96 0.21 0.00 0.43 0.00 0.00 52.55 54.06 2cc3 s ASP 113 Cb -0.09 1.22 1.17 0.00 -0.30 0.00 0.00 42.92 44.92 2cc3 s ASP 113 CO -0.11 -0.23 1.82 0.00 -0.17 0.00 0.00 175.17 176.49 2cc3 h ALA 114 N 7.97 2.36 -0.16 3.66 0.00 -1.83 0.12 119.26 131.38 2cc3 h ALA 114 Ca -0.20 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2cc3 h ALA 114 Cb 1.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2cc3 h ALA 114 CO 0.15 -0.70 -0.30 -0.44 0.00 0.00 0.00 179.25 177.96 2cc3 h ASP 115 N 0.33 0.30 -0.15 0.00 3.32 -1.96 -3.16 116.42 115.10 2cc3 h ASP 115 Ca 0.53 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2cc3 h ASP 115 Cb 1.47 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2cc3 h ASP 115 CO -0.20 0.60 0.00 0.35 -1.72 0.00 0.00 179.24 178.28 2cc3 n THR 116 N -4.11 0.20 -0.18 0.35 -2.24 0.17 -4.65 114.28 103.83 2cc3 n THR 116 Ca -0.01 -0.60 -0.02 0.00 -2.27 0.00 0.00 64.05 61.15 2cc3 n THR 116 Cb 0.41 1.24 0.08 0.00 -2.10 0.00 0.00 70.33 69.96 2cc3 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cc3 h ALA 117 N 4.03 0.68 -0.06 6.98 0.00 -0.88 0.21 119.26 130.21 2cc3 h ALA 117 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2cc3 h ALA 117 Cb 0.88 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2cc3 h ALA 117 CO 0.00 -0.21 -0.20 0.37 0.00 0.00 0.00 179.25 179.21 2cc3 h GLN 118 N 0.37 0.24 -0.19 0.00 5.75 -1.82 -1.58 115.11 117.88 2cc3 h GLN 118 Ca 0.27 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 2cc3 h GLN 118 Cb 0.31 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 2cc3 h GLN 118 CO -0.27 0.81 -0.14 -0.92 -2.65 0.00 0.00 178.83 175.66 2cc3 h TYR 119 N -0.29 -0.36 -0.41 3.99 3.20 -1.82 -2.07 116.97 119.21 2cc3 h TYR 119 Ca -0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2cc3 h TYR 119 Cb 0.84 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2cc3 h TYR 119 CO 0.13 -0.21 0.07 0.00 -1.64 0.00 0.00 178.16 176.51 2cc3 h ALA 120 N 0.98 0.54 -0.86 1.82 0.00 -0.63 -2.87 119.26 118.24 2cc3 h ALA 120 Ca 0.11 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2cc3 h ALA 120 Cb 0.32 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2cc3 h ALA 120 CO -0.28 0.26 0.50 -0.92 0.00 0.00 0.00 179.25 178.81 2cc3 h TYR 121 N 0.53 0.90 -0.11 0.00 3.20 -1.19 0.52 116.97 120.82 2cc3 h TYR 121 Ca 0.12 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2cc3 h TYR 121 Cb 0.37 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2cc3 h TYR 121 CO 0.03 0.35 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.21 2cc3 h ASP 122 N 0.81 0.42 -0.19 -2.11 3.32 -1.30 -1.40 116.42 115.97 2cc3 h ASP 122 Ca 0.42 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2cc3 h ASP 122 Cb 0.41 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2cc3 h ASP 122 CO -0.26 0.91 0.12 -0.07 -1.72 0.00 0.00 179.24 178.23 2cc3 h LEU 123 N -0.06 0.22 -0.24 1.55 3.38 -1.31 -1.56 115.31 117.30 2cc3 h LEU 123 Ca 0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2cc3 h LEU 123 Cb 0.85 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2cc3 h LEU 123 CO 0.06 0.18 -0.00 0.58 0.09 0.00 0.00 178.44 179.34 2cc3 h VAL 124 N 0.25 0.82 -0.91 1.22 2.07 -0.94 -2.50 116.25 116.27 2cc3 h VAL 124 Ca 0.07 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2cc3 h VAL 124 Cb -0.01 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2cc3 h VAL 124 CO -0.01 0.01 0.59 0.28 0.02 0.00 0.00 177.57 178.46 2cc3 h SER 125 N 0.07 0.98 0.52 0.57 0.02 -1.18 -2.91 113.55 111.62 2cc3 h SER 125 Ca 0.12 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2cc3 h SER 125 Cb 0.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2cc3 h SER 125 CO -0.20 0.68 -0.55 0.78 -1.14 0.00 0.00 176.83 176.40 2cc3 h ASN 126 N 1.15 0.04 1.01 3.07 2.35 -1.04 -2.98 115.58 119.17 2cc3 h ASN 126 Ca 0.36 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2cc3 h ASN 126 Cb -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2cc3 h ASN 126 CO -0.12 0.58 0.00 0.49 -1.65 0.00 0.00 177.43 176.73 2cc3 n PHE 127 N -3.89 0.44 -4.54 1.19 3.01 -0.96 -4.89 117.46 107.81 2cc3 n PHE 127 Ca -0.01 0.14 -0.34 0.00 1.01 0.00 0.00 57.45 58.25 2cc3 n PHE 127 Cb 0.56 -0.73 -0.11 0.00 -0.01 0.00 0.00 39.48 39.19 2cc3 n PHE 127 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2cc3 s SER 128 N -3.70 4.75 0.69 4.37 0.01 -1.13 0.56 113.70 119.25 2cc3 s SER 128 Ca 0.10 -0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 2cc3 s SER 128 Cb 0.13 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 65.01 2cc3 s SER 128 CO 0.48 0.31 1.13 0.00 0.41 0.00 0.00 173.24 175.57 2cc3 s ALA 129 N -0.51 2.36 0.19 1.44 0.00 -0.11 -4.46 121.76 120.67 2cc3 s ALA 129 Ca 0.08 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 2cc3 s ALA 129 Cb -0.12 -3.34 0.30 0.00 0.00 0.00 0.00 23.12 19.96 2cc3 s ALA 129 CO 0.02 -1.47 1.12 -2.30 0.00 0.00 0.00 175.76 173.13 2cc3 n PRO 130 N -2.63 -0.09 -0.03 0.00 -0.02 -1.26 -0.94 135.00 130.03 2cc3 n PRO 130 Ca 0.11 1.12 -0.16 0.00 -2.02 0.00 0.00 63.50 62.55 2cc3 n PRO 130 Cb 0.52 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.24 2cc3 n PRO 130 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2cc3 h MET 131 N 0.00 0.59 -0.29 -0.52 2.86 -1.92 -1.72 114.93 113.93 2cc3 h MET 131 Ca 0.33 -0.47 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2cc3 h MET 131 Cb 0.51 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 2cc3 h MET 131 CO -0.74 1.09 0.05 0.28 1.06 0.00 0.00 176.91 178.65 2cc3 h VAL 132 N 0.24 0.85 -0.96 -2.22 2.07 -1.70 0.26 116.25 114.79 2cc3 h VAL 132 Ca -0.03 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2cc3 h VAL 132 Cb 1.17 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 2cc3 h VAL 132 CO 0.11 0.03 0.61 -0.09 0.02 0.00 0.00 177.57 178.25 2cc3 h ARG 133 N 0.15 1.05 -0.07 1.57 2.43 -0.95 -1.24 114.38 117.33 2cc3 h ARG 133 Ca 0.14 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 2cc3 h ARG 133 Cb 0.15 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2cc3 h ARG 133 CO -0.19 0.69 -0.72 1.96 -1.51 0.00 0.00 179.97 180.21 2cc3 h GLN 134 N 1.08 0.60 -0.45 0.20 4.20 -0.66 -0.96 115.11 119.13 2cc3 h GLN 134 Ca 0.43 -0.56 0.07 0.00 0.06 0.00 0.00 58.65 58.65 2cc3 h GLN 134 Cb 0.23 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 2cc3 h GLN 134 CO -0.19 1.18 0.11 -0.97 -0.67 0.00 0.00 178.83 178.28 2cc3 h ASN 135 N 0.23 0.04 -0.25 1.46 -0.00 -0.27 -1.09 115.58 115.71 2cc3 h ASN 135 Ca -0.07 0.07 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 2cc3 h ASN 135 Cb 1.38 0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 39.78 2cc3 h ASN 135 CO 0.14 0.05 0.05 0.22 -0.00 0.00 0.00 177.43 177.90 2cc3 h TYR 136 N 0.25 0.43 -0.57 0.67 3.20 -1.16 -2.65 116.97 117.13 2cc3 h TYR 136 Ca 0.22 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2cc3 h TYR 136 Cb 0.27 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2cc3 h TYR 136 CO -0.20 0.51 0.09 1.96 -1.64 0.00 0.00 178.16 178.88 2cc3 h GLN 137 N 0.22 0.92 -0.07 1.82 4.20 -1.02 0.17 115.11 121.35 2cc3 h GLN 137 Ca 0.08 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 2cc3 h GLN 137 Cb 0.31 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2cc3 h GLN 137 CO 0.00 0.86 -0.48 0.37 -0.67 0.00 0.00 178.83 178.91 2cc3 h GLN 138 N 0.87 0.17 0.08 1.46 -0.00 -1.19 0.40 115.11 116.90 2cc3 h GLN 138 Ca 0.18 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2cc3 h GLN 138 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.87 2cc3 h GLN 138 CO 0.01 0.62 -0.04 0.35 0.00 0.00 0.00 178.83 179.77 2cc3 h PHE 139 N 0.14 -0.10 -0.50 3.99 3.57 -1.19 -3.37 116.94 119.49 2cc3 h PHE 139 Ca 0.01 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2cc3 h PHE 139 Cb 0.91 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2cc3 h PHE 139 CO 0.01 0.45 -0.07 0.35 -2.23 0.00 0.00 178.31 176.82 2cc3 h PHE 140 N -0.76 1.03 -4.13 0.41 3.57 -0.93 -3.37 116.94 112.76 2cc3 h PHE 140 Ca -0.01 -0.21 -0.49 0.00 3.53 0.00 0.00 57.97 60.79 2cc3 h PHE 140 Cb 0.59 -0.26 0.06 0.00 2.79 0.00 0.00 35.95 39.13 2cc3 h PHE 140 CO 0.12 0.98 0.39 -0.80 -2.23 0.00 0.00 178.31 176.77 2cc3 s ASN 141 N -6.50 5.86 0.44 0.41 0.01 0.13 -4.69 114.94 110.60 2cc3 s ASN 141 Ca -0.12 1.96 -0.25 0.00 -0.71 0.00 0.00 52.86 53.74 2cc3 s ASN 141 Cb 0.12 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.14 2cc3 s ASN 141 CO 0.84 -1.12 1.41 -0.31 -1.51 0.00 0.00 177.10 176.42 2cc3 s TYR 142 N -2.12 2.51 -0.33 2.20 2.02 -1.26 -2.02 117.35 118.34 2cc3 s TYR 142 Ca 0.67 1.28 0.11 0.00 -0.37 0.00 0.00 57.07 58.76 2cc3 s TYR 142 Cb -0.19 -3.89 0.72 0.00 -0.40 0.00 0.00 41.96 38.20 2cc3 s TYR 142 CO 0.30 -2.83 1.66 -0.35 -1.57 0.00 0.00 175.55 172.76 2cc3 n PRO 143 N -0.14 4.13 -1.55 -1.71 -0.04 -1.26 -5.12 135.00 129.32 2cc3 n PRO 143 Ca 0.05 -2.82 -0.44 0.00 -0.04 0.00 0.00 63.50 60.24 2cc3 n PRO 143 Cb 0.42 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 2cc3 n PRO 143 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cc3 n ASN 144 N 0.30 2.75 0.17 3.54 5.15 -0.86 -4.82 115.26 121.50 2cc3 n ASN 144 Ca 0.30 0.17 0.13 0.00 -0.60 0.00 0.00 54.58 54.58 2cc3 n ASN 144 Cb 1.19 -1.46 0.60 0.00 -0.53 0.00 0.00 39.78 39.58 2cc3 n ASN 144 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2cc3 h PRO 145 N 14.82 0.00 -0.13 1.20 0.13 -1.93 -1.19 132.00 144.90 2cc3 h PRO 145 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2cc3 h PRO 145 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2cc3 h PRO 145 CO 1.01 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.03 2cc3 n THR 146 N -2.39 0.17 -1.72 1.56 -2.24 -1.26 -4.47 114.28 103.93 2cc3 n THR 146 Ca 0.00 -0.59 -0.40 0.00 -2.27 0.00 0.00 64.05 60.79 2cc3 n THR 146 Cb 0.15 1.28 0.02 0.00 -2.10 0.00 0.00 70.33 69.67 2cc3 n THR 146 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cc3 n SER 147 N 1.22 2.73 -0.06 3.42 2.88 -0.45 -4.80 113.62 118.56 2cc3 n SER 147 Ca 0.14 1.10 0.14 0.00 -1.33 0.00 0.00 58.87 58.92 2cc3 n SER 147 Cb 0.53 -1.53 0.55 0.00 -0.75 0.00 0.00 64.21 63.02 2cc3 n SER 147 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2cc3 h PRO 148 N 2.07 0.28 -0.38 -1.46 0.13 -1.86 -0.39 132.00 130.38 2cc3 h PRO 148 Ca -0.49 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2cc3 h PRO 148 Cb 1.29 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2cc3 h PRO 148 CO 0.60 0.19 0.24 1.96 -0.23 0.00 0.00 178.00 180.75 2cc3 h GLN 149 N 0.29 0.46 0.13 0.86 4.20 -1.90 0.24 115.11 119.39 2cc3 h GLN 149 Ca 0.27 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2cc3 h GLN 149 Cb 0.67 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2cc3 h GLN 149 CO -0.06 0.31 -0.06 0.28 -0.67 0.00 0.00 178.83 178.62 2cc3 h VAL 150 N 0.48 1.04 -0.27 -0.54 2.07 -1.67 -0.93 116.25 116.44 2cc3 h VAL 150 Ca 0.15 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2cc3 h VAL 150 Cb -0.02 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2cc3 h VAL 150 CO -0.06 0.24 0.04 0.40 0.02 0.00 0.00 177.57 178.21 2cc3 h ILE 151 N -0.70 1.23 0.00 4.57 1.08 -1.08 -3.38 117.51 119.24 2cc3 h ILE 151 Ca -0.02 -0.80 -0.29 0.00 -0.39 0.00 0.00 64.86 63.36 2cc3 h ILE 151 Cb 0.52 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2cc3 h ILE 151 CO 0.03 0.26 -2.10 0.18 -0.69 0.00 0.00 178.15 175.83 2cc3 n LEU 152 N -4.65 2.80 0.00 1.44 4.77 0.81 -4.97 117.00 117.18 2cc3 n LEU 152 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2cc3 n LEU 152 Cb 0.21 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2cc3 n LEU 152 CO 0.37 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2cc3 n GLY 153 N 2.55 3.32 0.20 -0.72 0.00 -0.35 -1.17 105.19 109.02 2cc3 n GLY 153 Ca -0.34 0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2cc3 n GLY 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cc3 n LYS 154 N 14.00 0.58 -0.14 1.61 5.02 -1.26 -4.14 118.16 133.83 2cc3 n LYS 154 Ca 0.00 -0.41 0.10 0.00 -2.02 0.00 0.00 58.31 55.98 2cc3 n LYS 154 Cb 0.00 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.69 2cc3 n LYS 154 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2cc3 n HIS 155 N -0.86 0.38 -3.72 2.13 8.25 -0.32 -4.96 115.22 116.12 2cc3 n HIS 155 Ca 0.09 -0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 2cc3 n HIS 155 Cb 0.37 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 2cc3 n HIS 155 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2cc3 s GLY 156 N -1.32 -0.12 0.05 -1.41 0.00 -1.11 -3.51 107.32 99.90 2cc3 s GLY 156 Ca 0.31 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 2cc3 s GLY 156 CO 0.26 -0.23 0.19 0.50 0.00 0.00 0.00 173.10 173.82 2cc3 s ARG 157 N -3.87 0.72 -0.13 2.90 0.52 -0.65 -4.66 118.95 113.78 2cc3 s ARG 157 Ca 0.09 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2cc3 s ARG 157 Cb -0.01 0.30 0.01 0.00 0.52 0.00 0.00 34.95 35.76 2cc3 s ARG 157 CO -0.03 -0.21 -0.21 -0.51 0.02 0.00 0.00 175.30 174.35 2cc3 s LEU 158 N -2.25 2.17 0.09 2.53 1.43 -0.78 -1.10 118.68 120.77 2cc3 s LEU 158 Ca -0.03 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2cc3 s LEU 158 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2cc3 s LEU 158 CO -0.05 0.10 -0.11 -1.61 0.23 0.00 0.00 176.35 174.91 2cc3 s GLU 159 N 0.71 2.14 -0.08 1.70 2.02 0.13 -1.35 118.70 123.97 2cc3 s GLU 159 Ca -0.09 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 53.90 2cc3 s GLU 159 Cb -0.16 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.78 2cc3 s GLU 159 CO 0.01 0.52 -0.11 0.08 0.02 0.00 0.00 175.26 175.77 2cc3 s VAL 160 N -1.18 1.15 -0.16 2.63 1.01 -1.26 -0.29 120.40 122.30 2cc3 s VAL 160 Ca 0.21 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2cc3 s VAL 160 Cb -0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2cc3 s VAL 160 CO 0.13 0.37 -0.08 -1.61 0.00 0.00 0.00 175.10 173.91 2cc3 s GLU 161 N 1.00 3.48 0.49 2.72 2.02 0.35 -4.97 118.70 123.80 2cc3 s GLU 161 Ca -0.08 -0.61 -0.23 0.00 0.02 0.00 0.00 54.97 54.06 2cc3 s GLU 161 Cb -0.15 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 2cc3 s GLU 161 CO -0.00 0.13 1.34 -1.58 0.02 0.00 0.00 175.26 175.17 2cc3 s HIS 162 N 0.60 2.47 0.03 1.61 5.65 -1.26 -1.01 115.29 123.39 2cc3 s HIS 162 Ca -0.05 1.37 -0.01 0.00 0.25 0.00 0.00 55.06 56.63 2cc3 s HIS 162 Cb -0.15 -3.76 -0.00 0.00 -1.18 0.00 0.00 32.58 27.49 2cc3 s HIS 162 CO 0.03 -2.62 -0.01 -0.89 -0.65 0.00 0.00 174.74 170.59 2cc3 n ILE 163 N -0.61 0.62 -3.74 0.89 5.41 0.72 -4.77 119.36 117.88 2cc3 n ILE 163 Ca 0.08 0.18 -0.13 0.00 1.00 0.00 0.00 62.75 63.88 2cc3 n ILE 163 Cb 0.44 -1.57 -0.08 0.00 -0.71 0.00 0.00 39.64 37.73 2cc3 n ILE 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2cc3 s ALA 164 N -2.03 -0.82 -0.11 -1.39 0.00 -0.86 -4.97 121.76 111.59 2cc3 s ALA 164 Ca -0.01 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.26 2cc3 s ALA 164 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.29 2cc3 s ALA 164 CO 0.02 -0.32 -0.21 -1.12 0.00 0.00 0.00 175.76 174.13 2cc3 s SER 165 N -1.57 2.88 -0.09 0.00 0.01 -1.26 -1.28 113.70 112.39 2cc3 s SER 165 Ca -0.11 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2cc3 s SER 165 Cb -0.03 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.90 2cc3 s SER 165 CO 0.02 0.11 -0.08 0.20 0.41 0.00 0.00 173.24 173.90 2cc3 s ASN 166 N 0.55 1.86 -0.25 2.44 0.01 0.23 -4.99 114.94 114.79 2cc3 s ASN 166 Ca -0.14 -0.26 -0.28 0.00 -0.71 0.00 0.00 52.86 51.46 2cc3 s ASN 166 Cb -0.17 -0.76 0.01 0.00 0.41 0.00 0.00 41.25 40.74 2cc3 s ASN 166 CO 0.05 -0.07 0.99 -1.81 -1.51 0.00 0.00 177.10 174.75 2cc3 s ASP 167 N 1.30 7.01 -0.19 -1.22 1.01 -1.26 -0.43 116.67 122.88 2cc3 s ASP 167 Ca -0.03 1.24 -0.18 0.00 0.71 0.00 0.00 52.55 54.29 2cc3 s ASP 167 Cb -0.14 -2.51 -0.20 0.00 1.01 0.00 0.00 42.92 41.08 2cc3 s ASP 167 CO -0.03 -0.66 0.22 1.33 0.21 0.00 0.00 175.17 176.24 2cc3 n VAL 168 N 5.38 1.59 -4.08 -1.27 0.24 -0.89 -4.97 118.33 114.33 2cc3 n VAL 168 Ca 0.10 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 2cc3 n VAL 168 Cb 0.47 -1.97 -0.09 0.00 -1.47 0.00 0.00 33.84 30.78 2cc3 n VAL 168 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2cc3 s THR 169 N -2.41 0.13 0.14 3.34 -4.23 -1.24 -5.05 115.64 106.32 2cc3 s THR 169 Ca -0.28 -1.74 -0.35 0.00 -1.18 0.00 0.00 61.69 58.14 2cc3 s THR 169 Cb 0.06 -1.84 -0.15 0.00 1.34 0.00 0.00 72.50 71.92 2cc3 s THR 169 CO 0.63 -0.57 1.51 -2.65 -0.54 0.00 0.00 174.62 173.00 2cc3 n PRO 170 N -0.07 1.89 -1.00 3.99 -0.02 -1.26 -1.55 135.00 136.98 2cc3 n PRO 170 Ca -0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2cc3 n PRO 170 Cb 0.63 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2cc3 n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cc3 n GLY 171 N 3.17 0.59 2.89 -1.23 0.00 -1.26 -5.01 105.19 104.34 2cc3 n GLY 171 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2cc3 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cc3 s VAL 172 N -2.37 0.61 -0.00 1.61 1.01 -0.59 -0.47 120.40 120.20 2cc3 s VAL 172 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2cc3 s VAL 172 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2cc3 s VAL 172 CO 0.00 0.25 -0.08 -1.58 0.00 0.00 0.00 175.10 173.69 2cc3 s GLN 173 N 1.08 0.66 -0.10 2.72 0.74 0.47 -2.08 119.66 123.15 2cc3 s GLN 173 Ca -0.08 -0.34 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 2cc3 s GLN 173 Cb -0.14 -0.63 -0.03 0.00 1.10 0.00 0.00 33.01 33.31 2cc3 s GLN 173 CO -0.01 0.17 0.00 -0.65 -0.55 0.00 0.00 175.29 174.25 2cc3 s GLN 174 N -0.31 3.11 -0.18 1.67 -0.21 0.43 0.21 119.66 124.38 2cc3 s GLN 174 Ca 0.02 -0.42 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 2cc3 s GLN 174 Cb -0.04 -2.83 0.04 0.00 1.00 0.00 0.00 33.01 31.19 2cc3 s GLN 174 CO -0.00 0.63 -0.07 0.42 -2.12 0.00 0.00 175.29 174.15 2cc3 s ILE 175 N -0.68 1.29 -0.03 1.08 1.01 0.61 -0.60 121.20 123.88 2cc3 s ILE 175 Ca 0.11 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 2cc3 s ILE 175 Cb -0.12 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 2cc3 s ILE 175 CO 0.02 0.15 0.57 -0.60 0.00 0.00 0.00 174.94 175.08 2cc3 s ARG 176 N 1.55 4.31 0.02 2.79 6.06 -0.40 0.15 118.95 133.43 2cc3 s ARG 176 Ca 0.00 0.68 -0.14 0.00 -2.50 0.00 0.00 55.73 53.77 2cc3 s ARG 176 Cb -0.15 -3.36 0.02 0.00 0.06 0.00 0.00 34.95 31.52 2cc3 s ARG 176 CO -0.08 0.33 0.29 1.52 -2.50 0.00 0.00 175.30 174.87 2cc3 s TYR 177 N -0.04 -0.11 -0.11 5.12 -0.85 -0.69 -0.20 117.35 120.47 2cc3 s TYR 177 Ca 0.30 0.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.79 2cc3 s TYR 177 Cb -0.18 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.20 2cc3 s TYR 177 CO 0.16 -0.46 0.23 0.21 -1.52 0.00 0.00 175.55 174.17 2cc3 s LYS 178 N -2.14 3.82 -0.13 -3.49 2.20 -0.18 -0.83 119.74 118.99 2cc3 s LYS 178 Ca -0.08 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 2cc3 s LYS 178 Cb -0.02 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 2cc3 s LYS 178 CO -0.01 0.58 -0.21 0.50 -0.36 0.00 0.00 175.35 175.85 2cc3 s ARG 179 N -0.53 2.90 -0.16 4.03 3.00 0.21 -0.50 118.95 127.90 2cc3 s ARG 179 Ca 0.16 -0.81 -0.00 0.00 -1.00 0.00 0.00 55.73 54.08 2cc3 s ARG 179 Cb -0.13 -2.35 -0.00 0.00 0.00 0.00 0.00 34.95 32.47 2cc3 s ARG 179 CO 0.05 -0.02 -0.15 0.99 0.00 0.00 0.00 175.30 176.18 2cc3 s THR 180 N 0.83 2.67 -0.25 4.11 2.01 0.61 -1.16 115.64 124.46 2cc3 s THR 180 Ca -0.07 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 2cc3 s THR 180 Cb -0.15 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2cc3 s THR 180 CO -0.02 0.51 0.49 -0.22 -0.69 0.00 0.00 174.62 174.69 2cc3 s LEU 181 N 0.91 4.07 -0.31 4.42 2.96 0.17 -0.69 118.68 130.20 2cc3 s LEU 181 Ca -0.03 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2cc3 s LEU 181 Cb -0.15 -2.63 0.07 0.00 0.50 0.00 0.00 46.19 43.99 2cc3 s LEU 181 CO -0.02 -0.24 0.01 -0.63 -1.32 0.00 0.00 176.35 174.15 2cc3 s ILE 182 N 2.11 2.59 0.34 6.68 1.01 -0.26 -1.17 121.20 132.50 2cc3 s ILE 182 Ca 0.21 -1.81 0.09 0.00 0.00 0.00 0.00 60.65 59.14 2cc3 s ILE 182 Cb -0.16 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 2cc3 s ILE 182 CO 0.09 -0.29 -0.03 0.68 0.00 0.00 0.00 174.94 175.39 2cc3 s VAL 183 N 1.10 2.50 0.26 2.92 -7.23 -1.26 -1.64 120.40 117.05 2cc3 s VAL 183 Ca -0.00 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 2cc3 s VAL 183 Cb -0.20 -2.74 -0.11 0.00 0.56 0.00 0.00 36.38 33.89 2cc3 s VAL 183 CO -0.05 -0.20 1.51 -1.81 -0.31 0.00 0.00 175.10 174.24 2cc3 s ASP 184 N -3.68 6.53 0.00 4.85 1.01 -1.23 -3.50 116.67 120.65 2cc3 s ASP 184 Ca 0.34 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.38 2cc3 s ASP 184 Cb 0.01 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2cc3 s ASP 184 CO 0.18 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.38 2cc3 n GLY 185 N 2.27 0.65 3.34 0.21 0.00 -1.26 -4.98 105.19 105.41 2cc3 n GLY 185 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2cc3 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cc3 s LYS 186 N -0.35 1.27 0.64 1.61 1.02 -1.23 -5.14 119.74 117.57 2cc3 s LYS 186 Ca 0.00 -1.31 -0.18 0.00 0.02 0.00 0.00 55.97 54.50 2cc3 s LYS 186 Cb 0.00 -1.55 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 2cc3 s LYS 186 CO 0.00 0.35 1.23 -1.64 -0.92 0.00 0.00 175.35 174.37 2cc3 s MET 187 N -2.24 2.68 0.04 1.68 -1.94 -1.26 -4.62 119.30 113.64 2cc3 s MET 187 Ca 0.12 1.87 -0.30 0.00 -1.71 0.00 0.00 55.69 55.67 2cc3 s MET 187 Cb -0.09 -1.89 -0.08 0.00 2.01 0.00 0.00 34.83 34.79 2cc3 s MET 187 CO 0.06 -1.44 1.74 -1.25 -0.01 0.00 0.00 175.02 174.12 2cc3 s PRO 188 N -3.48 4.17 -0.22 2.03 0.04 -1.26 -4.78 135.00 131.51 2cc3 s PRO 188 Ca 0.78 2.38 -0.14 0.00 0.04 0.00 0.00 61.00 64.07 2cc3 s PRO 188 Cb -0.32 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 2cc3 s PRO 188 CO 0.38 -0.82 0.32 -1.64 0.04 0.00 0.00 177.00 175.27 2cc3 s MET 189 N 3.38 4.14 0.17 4.56 -1.94 -0.32 -4.92 119.30 124.37 2cc3 s MET 189 Ca 0.78 0.04 0.11 0.00 -1.71 0.00 0.00 55.69 54.90 2cc3 s MET 189 Cb -0.39 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 2cc3 s MET 189 CO 0.34 -0.01 -0.25 0.00 -0.01 0.00 0.00 175.02 175.10 2cc3 s ALA 190 N 1.23 2.43 0.05 3.03 0.00 -1.26 0.43 121.76 127.67 2cc3 s ALA 190 Ca 0.15 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 2cc3 s ALA 190 Cb -0.14 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.68 2cc3 s ALA 190 CO 0.07 0.46 0.47 -1.54 0.00 0.00 0.00 175.76 175.22 2cc3 s SER 191 N -2.41 -0.37 0.05 0.00 1.04 -0.31 -4.99 113.70 106.71 2cc3 s SER 191 Ca 0.17 0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.73 2cc3 s SER 191 Cb -0.09 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2cc3 s SER 191 CO 0.08 -0.71 -0.07 -0.89 0.98 0.00 0.00 173.24 172.63 2cc3 s THR 192 N -2.57 3.62 0.05 2.02 2.01 -1.26 0.67 115.64 120.18 2cc3 s THR 192 Ca -0.05 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 2cc3 s THR 192 Cb -0.01 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2cc3 s THR 192 CO -0.03 0.26 -0.03 0.26 -0.69 0.00 0.00 174.62 174.39 2cc3 s TRP 193 N -1.12 0.50 -0.18 4.92 0.52 -0.01 -0.96 118.94 122.61 2cc3 s TRP 193 Ca 0.20 -0.99 0.01 0.00 0.02 0.00 0.00 56.10 55.33 2cc3 s TRP 193 Cb -0.11 -0.37 0.04 0.00 -1.15 0.00 0.00 33.47 31.88 2cc3 s TRP 193 CO 0.11 -0.34 -0.11 0.99 0.02 0.00 0.00 176.95 177.62 2cc3 s THR 194 N -3.58 1.58 0.04 2.01 2.01 -0.44 -1.70 115.64 115.57 2cc3 s THR 194 Ca 0.04 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 2cc3 s THR 194 Cb 0.05 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 2cc3 s THR 194 CO -0.09 0.24 0.64 0.00 -0.69 0.00 0.00 174.62 174.72 2cc3 s ALA 195 N 1.44 3.48 -0.26 7.40 0.00 0.12 -2.05 121.76 131.89 2cc3 s ALA 195 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 2cc3 s ALA 195 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2cc3 s ALA 195 CO -0.09 0.21 0.09 0.99 0.00 0.00 0.00 175.76 176.97 2cc3 s THR 196 N -0.47 4.45 -0.20 0.00 2.01 0.27 -0.28 115.64 121.42 2cc3 s THR 196 Ca 0.32 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2cc3 s THR 196 Cb -0.19 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.25 2cc3 s THR 196 CO 0.20 0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 2cc3 s VAL 197 N 1.63 1.38 -0.09 3.82 1.01 0.13 -2.46 120.40 125.83 2cc3 s VAL 197 Ca 0.06 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2cc3 s VAL 197 Cb -0.15 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2cc3 s VAL 197 CO 0.05 0.06 0.25 -0.60 0.00 0.00 0.00 175.10 174.86 2cc3 s ARG 198 N 1.50 3.75 0.04 2.72 3.52 -0.52 -0.39 118.95 129.56 2cc3 s ARG 198 Ca -0.02 0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 2cc3 s ARG 198 Cb -0.17 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 2cc3 s ARG 198 CO -0.07 0.66 0.03 1.52 -0.81 0.00 0.00 175.30 176.62 2cc3 s TYR 199 N -0.79 0.33 0.34 5.12 -0.85 0.38 -1.45 117.35 120.44 2cc3 s TYR 199 Ca 0.18 -0.73 0.09 0.00 -0.52 0.00 0.00 57.07 56.09 2cc3 s TYR 199 Cb -0.14 -0.24 -0.06 0.00 0.38 0.00 0.00 41.96 41.90 2cc3 s TYR 199 CO 0.07 -0.35 -0.09 -1.83 -1.52 0.00 0.00 175.55 171.83 2cc3 s GLU 200 N -2.96 1.80 -0.23 -3.49 -1.05 -0.38 -4.63 118.70 107.75 2cc3 s GLU 200 Ca -0.02 -1.93 -0.10 0.00 -0.15 0.00 0.00 54.97 52.77 2cc3 s GLU 200 Cb 0.01 -1.66 -0.05 0.00 -0.44 0.00 0.00 34.13 31.99 2cc3 s GLU 200 CO -0.06 0.13 0.14 0.15 0.95 0.00 0.00 175.26 176.56 2cc3 s LYS 201 N -3.62 4.02 -0.07 -4.83 1.02 -1.26 -1.78 119.74 113.22 2cc3 s LYS 201 Ca 0.32 -0.30 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 2cc3 s LYS 201 Cb 0.03 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 2cc3 s LYS 201 CO 0.16 0.08 0.24 0.14 -0.92 0.00 0.00 175.35 175.06 2cc3 s VAL 202 N 0.97 5.33 0.30 3.17 -7.23 -0.04 -5.01 120.40 117.89 2cc3 s VAL 202 Ca 0.07 0.43 0.16 0.00 -1.81 0.00 0.00 61.98 60.83 2cc3 s VAL 202 Cb -0.13 -3.52 0.11 0.00 0.56 0.00 0.00 36.38 33.40 2cc3 s VAL 202 CO 0.04 0.59 1.80 0.71 -0.31 0.00 0.00 175.10 177.92 2cc3 h THR 203 N 3.82 1.10 -4.07 5.32 1.35 -1.95 -3.42 112.91 115.06 2cc3 h THR 203 Ca -0.53 -1.38 -0.43 0.00 -0.55 0.00 0.00 66.41 63.51 2cc3 h THR 203 Cb 1.22 1.78 -0.29 0.00 -1.73 0.00 0.00 68.15 69.14 2cc3 h THR 203 CO 0.60 0.37 -0.79 -0.94 -0.25 0.00 0.00 175.52 174.51 2cc3 s SER 204 N -6.68 1.30 0.00 5.36 1.04 -1.26 -5.05 113.70 108.40 2cc3 s SER 204 Ca -0.02 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 2cc3 s SER 204 Cb 0.13 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2cc3 s SER 204 CO 0.70 0.13 0.03 -0.76 0.98 0.00 0.00 173.24 174.32 2cc3 s LEU 205 N -0.21 1.95 0.67 2.42 1.43 -1.26 -5.09 118.68 118.59 2cc3 s LEU 205 Ca 0.03 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 2cc3 s LEU 205 Cb -0.05 0.22 -0.02 0.00 0.03 0.00 0.00 46.19 46.38 2cc3 s LEU 205 CO -0.00 -0.20 0.93 -0.81 0.23 0.00 0.00 176.35 176.50 2cc3 n PRO 206 N 2.16 0.66 -0.17 1.29 -0.04 -1.26 -4.65 135.00 132.98 2cc3 n PRO 206 Ca -0.19 0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2cc3 n PRO 206 Cb 0.57 -2.17 0.07 0.00 -0.04 0.00 0.00 33.50 31.93 2cc3 n PRO 206 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cc3 h GLY 207 N 0.06 0.55 1.02 0.55 0.00 -2.01 0.41 103.07 103.65 2cc3 h GLY 207 Ca -0.48 0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.06 2cc3 h GLY 207 CO 0.48 -0.16 0.36 0.07 0.00 0.00 0.00 176.54 177.29 2cc3 h ARG 208 N 0.11 0.00 0.10 4.80 0.11 -2.01 -1.52 114.38 115.98 2cc3 h ARG 208 Ca 0.27 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.03 2cc3 h ARG 208 Cb 0.42 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 2cc3 h ARG 208 CO -0.45 0.00 -1.73 -0.07 0.10 0.00 0.00 179.97 177.82 2cc3 h LEU 209 N 0.00 0.34 -0.93 0.08 4.07 -1.64 -3.37 115.31 113.87 2cc3 h LEU 209 Ca 0.22 -0.84 0.20 0.00 0.08 0.00 0.00 57.88 57.53 2cc3 h LEU 209 Cb 0.94 -0.11 -0.11 0.00 1.08 0.00 0.00 40.66 42.45 2cc3 h LEU 209 CO -0.00 1.74 0.49 -0.09 -1.08 0.00 0.00 178.44 179.50 2cc3 h ARG 210 N -0.21 0.56 -0.38 1.13 9.65 -0.47 -1.25 114.38 123.40 2cc3 h ARG 210 Ca -0.38 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 58.58 2cc3 h ARG 210 Cb 1.84 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 30.28 2cc3 h ARG 210 CO 0.03 0.37 0.34 1.25 2.80 0.00 0.00 179.97 184.76 2cc3 h LEU 211 N 0.57 0.00 -0.22 3.80 5.85 -1.45 -2.26 115.31 121.61 2cc3 h LEU 211 Ca 0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 2cc3 h LEU 211 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2cc3 h LEU 211 CO -0.44 0.00 -0.08 0.35 -0.34 0.00 0.00 178.44 177.93 2cc3 n THR 212 N -4.00 0.00 -3.11 1.05 -2.24 -0.70 -4.72 114.28 100.56 2cc3 n THR 212 Ca 0.06 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 2cc3 n THR 212 Cb 0.52 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 2cc3 n THR 212 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2cc3 n ASN 213 N -0.81 -0.26 -0.15 3.42 5.15 -0.56 -5.00 115.26 117.05 2cc3 n ASN 213 Ca 0.01 -2.87 0.18 0.00 -0.60 0.00 0.00 54.58 51.30 2cc3 n ASN 213 Cb 0.04 -0.19 0.55 0.00 -0.53 0.00 0.00 39.78 39.66 2cc3 n ASN 213 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2cc3 h PRO 214 N 3.80 0.30 -0.01 1.20 0.13 -1.66 -2.80 132.00 132.97 2cc3 h PRO 214 Ca 0.04 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2cc3 h PRO 214 Cb 0.92 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2cc3 h PRO 214 CO 0.44 0.20 -0.15 0.41 -0.23 0.00 0.00 178.00 178.66 2cc3 n GLY 215 N -1.56 -0.51 2.14 1.56 0.00 -1.26 -4.96 105.19 100.61 2cc3 n GLY 215 Ca 0.15 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 2cc3 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cc3 n GLY 216 N 1.27 0.07 3.71 -0.02 0.00 -1.06 -4.74 105.19 104.44 2cc3 n GLY 216 Ca 0.15 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2cc3 n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cc3 s LEU 217 N -2.08 4.38 -0.04 0.99 1.43 -1.26 -0.86 118.68 121.24 2cc3 s LEU 217 Ca 0.00 1.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 2cc3 s LEU 217 Cb -0.00 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.64 2cc3 s LEU 217 CO 0.00 -0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 175.42 2cc3 s VAL 218 N 0.90 1.42 -0.33 -1.59 1.01 -0.74 -4.82 120.40 116.25 2cc3 s VAL 218 Ca 0.53 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 2cc3 s VAL 218 Cb -0.24 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2cc3 s VAL 218 CO 0.29 0.41 0.78 -0.69 0.00 0.00 0.00 175.10 175.88 2cc3 s VAL 219 N 0.00 4.78 -0.11 2.92 1.01 0.19 -1.25 120.40 127.94 2cc3 s VAL 219 Ca -0.03 1.05 0.20 0.00 0.00 0.00 0.00 61.98 63.20 2cc3 s VAL 219 Cb -0.11 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 2cc3 s VAL 219 CO 0.02 -0.32 0.49 0.35 0.00 0.00 0.00 175.10 175.64 2cc3 n THR 220 N 5.63 0.65 -3.84 3.92 -2.24 -0.53 -0.94 114.28 116.93 2cc3 n THR 220 Ca 0.03 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 2cc3 n THR 220 Cb 0.48 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.31 2cc3 n THR 220 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2cc3 s SER 221 N -5.09 -0.10 -0.21 3.42 0.15 -1.15 -4.73 113.70 106.00 2cc3 s SER 221 Ca -0.07 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.64 2cc3 s SER 221 Cb 0.10 0.29 0.09 0.00 -1.71 0.00 0.00 66.02 64.80 2cc3 s SER 221 CO 0.86 -0.18 0.45 -0.47 1.20 0.00 0.00 173.24 175.11 2cc3 s TYR 222 N -0.47 -0.85 0.02 3.44 5.04 -1.26 -1.44 117.35 121.83 2cc3 s TYR 222 Ca -0.06 1.61 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 2cc3 s TYR 222 Cb -0.04 0.37 -0.02 0.00 0.35 0.00 0.00 41.96 42.63 2cc3 s TYR 222 CO 0.01 -0.49 -0.03 -0.65 -1.34 0.00 0.00 175.55 173.04 2cc3 s GLN 223 N 2.49 0.30 0.04 4.97 1.11 -1.03 -5.02 119.66 122.52 2cc3 s GLN 223 Ca -0.03 -0.48 0.03 0.00 0.01 0.00 0.00 55.36 54.89 2cc3 s GLN 223 Cb -0.11 -0.02 -0.02 0.00 -1.01 0.00 0.00 33.01 31.84 2cc3 s GLN 223 CO -0.14 -0.01 -0.10 -0.08 0.01 0.00 0.00 175.29 174.97 2cc3 s THR 224 N -1.05 0.75 -0.06 -0.19 -1.32 -1.26 -0.57 115.64 111.93 2cc3 s THR 224 Ca -0.10 -0.99 -0.00 0.00 -1.21 0.00 0.00 61.69 59.38 2cc3 s THR 224 Cb -0.07 -0.74 0.02 0.00 -1.51 0.00 0.00 72.50 70.20 2cc3 s THR 224 CO -0.00 -0.21 -0.03 -0.94 -2.21 0.00 0.00 174.62 171.23 2cc3 s SER 225 N -1.33 1.29 0.25 8.08 1.04 -0.87 -4.99 113.70 117.17 2cc3 s SER 225 Ca -0.05 -0.12 -0.30 0.00 0.48 0.00 0.00 55.95 55.96 2cc3 s SER 225 Cb -0.08 -0.47 -0.09 0.00 0.10 0.00 0.00 66.02 65.47 2cc3 s SER 225 CO 0.01 -0.12 0.98 -0.70 0.98 0.00 0.00 173.24 174.39 2cc3 s GLU 226 N 1.40 4.80 0.24 4.02 2.12 -1.26 -1.33 118.70 128.69 2cc3 s GLU 226 Ca -0.03 1.56 -0.31 0.00 0.36 0.00 0.00 54.97 56.55 2cc3 s GLU 226 Cb -0.13 -3.26 -0.14 0.00 0.26 0.00 0.00 34.13 30.86 2cc3 s GLU 226 CO -0.03 0.44 1.31 -0.25 -0.54 0.00 0.00 175.26 176.19 2cc3 n ASP 227 N 1.46 2.30 -4.78 -1.70 9.92 -0.14 -4.96 116.55 118.65 2cc3 n ASP 227 Ca -0.02 1.15 -0.36 0.00 -0.53 0.00 0.00 54.79 55.03 2cc3 n ASP 227 Cb 0.47 -1.37 -0.02 0.00 -0.64 0.00 0.00 41.12 39.56 2cc3 n ASP 227 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2cc3 s THR 228 N -0.25 3.37 0.02 -3.53 -1.32 -1.26 -4.93 115.64 107.73 2cc3 s THR 228 Ca 0.68 0.95 0.07 0.00 -1.21 0.00 0.00 61.69 62.18 2cc3 s THR 228 Cb -0.70 -3.44 -0.03 0.00 -1.51 0.00 0.00 72.50 66.82 2cc3 s THR 228 CO 0.52 -0.09 -0.20 0.68 -2.21 0.00 0.00 174.62 173.32 2cc3 s VAL 229 N -1.71 2.60 -0.00 5.08 -7.23 -1.26 -5.13 120.40 112.74 2cc3 s VAL 229 Ca 0.65 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 2cc3 s VAL 229 Cb -0.24 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 2cc3 s VAL 229 CO 0.28 0.42 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.92 2cc3 s SER 230 N -1.16 0.38 0.00 4.85 0.15 -1.26 -5.33 113.70 111.33 2cc3 s SER 230 Ca 0.13 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2cc3 s SER 230 Cb -0.10 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2cc3 s SER 230 CO 0.03 0.03 0.00 -0.46 1.20 0.00 0.00 173.24 174.04