#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkx h GLN 91 N 0.00 0.07 -0.07 4.33 7.50 -1.98 -2.97 115.11 121.99 2kkx h GLN 91 Ca 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 2kkx h GLN 91 Cb 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 2kkx h GLN 91 CO 0.00 0.04 -0.01 1.05 -1.50 0.00 0.00 178.83 178.41 2kkx h GLU 92 N 0.07 0.09 -0.15 1.46 9.09 -1.98 -0.30 114.58 122.86 2kkx h GLU 92 Ca 0.02 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.38 2kkx h GLU 92 Cb -0.01 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2kkx h GLU 92 CO -0.00 0.12 -0.07 1.03 0.05 0.00 0.00 179.01 180.13 2kkx h SER 93 N 0.09 0.31 -0.41 3.06 0.87 -1.97 -2.16 113.55 113.34 2kkx h SER 93 Ca 0.02 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.13 2kkx h SER 93 Cb 0.09 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2kkx h SER 93 CO 0.00 0.65 0.11 0.40 -0.53 0.00 0.00 176.83 177.46 2kkx h ILE 94 N -0.03 1.23 -0.79 2.23 2.04 -1.23 -2.73 117.51 118.23 2kkx h ILE 94 Ca 0.03 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2kkx h ILE 94 Cb 0.53 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2kkx h ILE 94 CO 0.02 0.27 0.45 1.56 0.00 0.00 0.00 178.15 180.45 2kkx h GLN 95 N 0.52 1.08 -0.84 2.37 1.08 -1.08 0.18 115.11 118.42 2kkx h GLN 95 Ca 0.13 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2kkx h GLN 95 Cb 0.30 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 2kkx h GLN 95 CO 0.00 0.77 0.50 -0.91 -0.95 0.00 0.00 178.83 178.25 2kkx h ASN 96 N 1.09 1.01 -0.54 1.46 -0.26 -1.24 -1.07 115.58 116.02 2kkx h ASN 96 Ca 0.28 -0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.86 2kkx h ASN 96 Cb -0.01 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 2kkx h ASN 96 CO -0.05 0.78 -0.03 0.11 -1.06 0.00 0.00 177.43 177.18 2kkx h LYS 97 N 1.15 1.00 -0.27 0.81 6.56 -0.94 -2.06 116.57 122.82 2kkx h LYS 97 Ca 0.30 -0.32 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2kkx h LYS 97 Cb -0.04 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.52 2kkx h LYS 97 CO -0.06 1.00 0.04 0.82 -2.06 0.00 0.00 179.45 179.20 2kkx h ILE 98 N 0.91 1.23 -0.40 1.86 2.04 -0.71 0.91 117.51 123.35 2kkx h ILE 98 Ca 0.16 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 2kkx h ILE 98 Cb 0.57 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2kkx h ILE 98 CO 0.03 0.25 -0.05 -1.28 0.00 0.00 0.00 178.15 177.10 2kkx h SER 99 N 0.25 0.65 0.17 1.72 0.87 -1.16 -1.41 113.55 114.64 2kkx h SER 99 Ca 0.08 -0.16 -0.27 0.00 -1.23 0.00 0.00 61.79 60.21 2kkx h SER 99 Cb 0.34 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2kkx h SER 99 CO 0.01 0.76 -1.28 1.56 -0.53 0.00 0.00 176.83 177.35 2kkx h GLN 100 N 0.63 0.36 -0.00 2.24 1.08 -1.31 -3.37 115.11 114.74 2kkx h GLN 100 Ca 0.12 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2kkx h GLN 100 Cb 0.47 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2kkx h GLN 100 CO 0.02 1.30 -0.13 0.00 -0.95 0.00 0.00 178.83 179.07 2kkx s LYS 102 N -2.70 2.33 0.14 0.00 -2.85 -0.54 -4.26 119.74 111.86 2kkx s LYS 102 Ca 0.22 0.70 -0.20 0.00 -1.00 0.00 0.00 55.97 55.70 2kkx s LYS 102 Cb 0.19 -1.94 0.05 0.00 -2.06 0.00 0.00 37.83 34.08 2kkx s LYS 102 CO 0.52 -1.46 0.51 -0.59 0.10 0.00 0.00 175.35 174.43 2kkx s PHE 103 N -3.14 -0.40 -0.64 1.78 -0.71 -0.47 -4.95 117.98 109.45 2kkx s PHE 103 Ca 0.60 0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 56.39 2kkx s PHE 103 Cb -0.14 0.42 -0.00 0.00 -1.21 0.00 0.00 43.02 42.09 2kkx s PHE 103 CO 0.54 -0.77 1.65 -1.54 -1.34 0.00 0.00 175.22 173.76 2kkx s SER 104 N -2.71 5.63 -0.12 1.98 1.04 -1.26 -1.47 113.70 116.79 2kkx s SER 104 Ca 0.01 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 2kkx s SER 104 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kkx s SER 104 CO -0.12 -2.14 1.36 -0.69 0.98 0.00 0.00 173.24 172.64 2kkx s VAL 105 N 7.76 4.06 -0.37 5.02 1.01 0.18 -4.93 120.40 133.12 2kkx s VAL 105 Ca 0.57 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.87 2kkx s VAL 105 Cb -0.11 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2kkx s VAL 105 CO 0.20 -0.10 0.14 0.00 0.00 0.00 0.00 175.10 175.34 2kkx h PRO 107 N 7.45 0.28 -0.08 0.00 0.11 -1.93 -1.07 132.00 136.75 2kkx h PRO 107 Ca -0.07 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.84 2kkx h PRO 107 Cb 0.98 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2kkx h PRO 107 CO 0.50 0.18 -0.71 1.05 -0.21 0.00 0.00 178.00 178.81 2kkx h GLU 108 N 0.29 0.40 0.15 1.05 4.11 -1.96 0.11 114.58 118.72 2kkx h GLU 108 Ca 0.56 -0.32 -0.30 0.00 0.07 0.00 0.00 59.36 59.36 2kkx h GLU 108 Cb 1.61 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.94 2kkx h GLU 108 CO -0.20 0.95 -1.44 0.00 0.07 0.00 0.00 179.01 178.40 2kkx h ARG 109 N 0.27 0.32 0.00 1.06 3.08 -1.70 -3.05 114.38 114.35 2kkx h ARG 109 Ca -0.03 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.48 2kkx h ARG 109 Cb 1.28 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2kkx h ARG 109 CO 0.12 1.22 0.00 -0.07 -1.07 0.00 0.00 179.97 180.17 2kkx h LEU 110 N 0.09 0.00 1.08 3.04 3.38 -1.25 -3.47 115.31 118.17 2kkx h LEU 110 Ca -0.21 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.37 2kkx h LEU 110 Cb 2.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 2kkx h LEU 110 CO 0.20 0.00 -0.57 1.67 0.09 0.00 0.00 178.44 179.83 2kkx n GLN 111 N -2.70 -4.06 -4.91 1.13 0.00 -0.07 -5.00 117.38 101.76 2kkx n GLN 111 Ca 0.02 0.75 -0.33 0.00 -0.00 0.00 0.00 57.00 57.45 2kkx n GLN 111 Cb 0.30 -5.54 -0.14 0.00 0.00 0.00 0.00 30.24 24.86 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kkx s PRO 113 N -0.27 2.10 0.19 0.00 0.04 -1.26 -4.59 135.00 131.21 2kkx s PRO 113 Ca 0.01 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 2kkx s PRO 113 Cb -0.13 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.79 2kkx s PRO 113 CO 0.03 -1.90 1.70 -0.07 0.04 0.00 0.00 177.00 176.80 2kkx h LEU 114 N -0.18 -0.12 -1.31 -3.56 3.38 -1.95 -1.63 115.31 109.94 2kkx h LEU 114 Ca -0.49 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2kkx h LEU 114 Cb 1.31 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2kkx h LEU 114 CO 0.50 -0.03 0.29 1.05 0.09 0.00 0.00 178.44 180.34 2kkx h GLU 115 N 0.17 0.77 0.00 1.13 4.11 -1.97 0.18 114.58 118.97 2kkx h GLU 115 Ca 0.25 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 59.56 2kkx h GLU 115 Cb 0.36 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2kkx h GLU 115 CO -0.37 0.57 -0.18 0.00 0.07 0.00 0.00 179.01 179.10 2kkx h ALA 116 N 1.55 1.24 0.00 1.06 0.00 -1.66 -2.81 119.26 118.64 2kkx h ALA 116 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2kkx h ALA 116 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kkx h ALA 116 CO -0.03 0.23 -0.35 0.44 0.00 0.00 0.00 179.25 179.54 2kkx n ILE 117 N -3.65 1.63 -2.19 0.00 -5.35 -0.96 -4.85 119.36 103.99 2kkx n ILE 117 Ca -0.01 -2.29 -0.41 0.00 -0.27 0.00 0.00 62.75 59.76 2kkx n ILE 117 Cb 0.31 -0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.14 2kkx n ILE 117 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kkx s GLN 118 N -2.44 4.38 -0.29 6.28 0.74 0.01 -4.24 119.66 124.11 2kkx s GLN 118 Ca 0.31 2.10 -0.29 0.00 0.05 0.00 0.00 55.36 57.54 2kkx s GLN 118 Cb 0.30 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 2kkx s GLN 118 CO -0.03 -0.24 1.68 0.00 -0.55 0.00 0.00 175.29 176.14 2kkx n PRO 120 N 8.06 0.18 -0.07 0.00 -0.04 -1.26 -1.23 135.00 140.63 2kkx n PRO 120 Ca 0.20 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2kkx n PRO 120 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2kkx n PRO 120 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kkx h ILE 121 N 0.00 1.01 0.00 0.52 2.04 -1.93 -3.39 117.51 115.75 2kkx h ILE 121 Ca 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2kkx h ILE 121 Cb 0.19 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2kkx h ILE 121 CO 0.00 0.34 -0.66 0.35 0.00 0.00 0.00 178.15 178.18 2kkx n THR 122 N -4.60 0.06 -3.07 -0.27 -2.24 -1.17 -4.97 114.28 98.01 2kkx n THR 122 Ca -0.13 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 2kkx n THR 122 Cb 0.40 0.32 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 2kkx n THR 122 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkx n LEU 123 N -1.62 -2.74 -3.71 3.22 7.99 -0.37 -5.01 117.00 114.75 2kkx n LEU 123 Ca 0.05 -0.31 -0.14 0.00 -0.01 0.00 0.00 56.01 55.59 2kkx n LEU 123 Cb 0.36 -2.65 -0.08 0.00 -0.11 0.00 0.00 43.42 40.94 2kkx n LEU 123 CO 0.37 0.31 0.10 -1.83 -1.51 0.00 0.00 177.39 174.84 2kkx s GLU 124 N -5.72 0.72 -0.03 3.23 -1.05 -1.20 -5.00 118.70 109.67 2kkx s GLU 124 Ca 0.34 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.81 2kkx s GLU 124 Cb -0.15 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 33.81 2kkx s GLU 124 CO 0.41 -0.20 1.62 -1.14 0.95 0.00 0.00 175.26 176.90 2kkx s GLN 125 N -1.17 4.20 0.55 -4.83 -0.44 -1.26 -1.14 119.66 115.58 2kkx s GLN 125 Ca -0.12 2.18 -0.17 0.00 -2.50 0.00 0.00 55.36 54.75 2kkx s GLN 125 Cb -0.04 -3.86 -0.06 0.00 -1.64 0.00 0.00 33.01 27.42 2kkx s GLN 125 CO 0.05 -0.79 1.04 -1.25 0.50 0.00 0.00 175.29 174.84 2kkx s PRO 126 N 3.56 3.54 0.19 1.67 0.04 -1.26 -4.89 135.00 137.85 2kkx s PRO 126 Ca 0.72 1.23 0.24 0.00 0.04 0.00 0.00 61.00 63.22 2kkx s PRO 126 Cb -0.34 -2.06 0.26 0.00 0.04 0.00 0.00 34.50 32.40 2kkx s PRO 126 CO 0.29 -0.63 1.30 1.05 0.04 0.00 0.00 177.00 179.04 2kkx h GLU 127 N 0.84 0.00 -2.71 4.56 4.11 -1.95 -3.42 114.58 116.01 2kkx h GLU 127 Ca -0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.83 2kkx h GLU 127 Cb 1.22 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.20 2kkx h GLU 127 CO 0.58 0.00 -0.32 -1.59 0.07 0.00 0.00 179.01 177.75 2kkx s LYS 128 N -3.23 0.37 0.17 1.06 0.00 -1.26 -0.65 119.74 116.19 2kkx s LYS 128 Ca 0.04 0.73 -0.25 0.00 0.00 0.00 0.00 55.97 56.50 2kkx s LYS 128 Cb 0.11 -0.02 0.06 0.00 0.00 0.00 0.00 37.83 37.98 2kkx s LYS 128 CO 0.73 -0.15 0.91 0.20 0.00 0.00 0.00 175.35 177.04 2kkx s GLY 129 N 1.30 -0.23 0.19 0.59 0.00 -0.54 -2.57 107.32 106.06 2kkx s GLY 129 Ca -0.09 0.11 0.11 0.00 0.00 0.00 0.00 44.72 44.85 2kkx s GLY 129 CO -0.11 0.01 -0.20 -0.26 0.00 0.00 0.00 173.10 172.53 2kkx s ILE 130 N -3.39 2.56 -0.26 0.90 -4.36 0.24 -1.37 121.20 115.53 2kkx s ILE 130 Ca 0.11 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.41 2kkx s ILE 130 Cb -0.02 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 2kkx s ILE 130 CO 0.02 -0.12 0.34 -0.36 0.24 0.00 0.00 174.94 175.05 2kkx s PHE 131 N -1.71 3.27 -0.16 1.37 0.08 -1.25 -1.22 117.98 118.37 2kkx s PHE 131 Ca 0.22 0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.68 2kkx s PHE 131 Cb -0.08 -2.52 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 2kkx s PHE 131 CO 0.11 -0.16 -0.21 0.08 -0.10 0.00 0.00 175.22 174.94 2kkx s VAL 132 N 1.83 2.05 -0.07 -0.44 1.01 -0.46 -1.00 120.40 123.31 2kkx s VAL 132 Ca 0.14 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 2kkx s VAL 132 Cb -0.15 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2kkx s VAL 132 CO 0.09 0.54 1.58 -1.59 0.00 0.00 0.00 175.10 175.72 2kkx s LYS 133 N 1.06 4.19 -1.24 2.72 -2.85 0.33 -1.38 119.74 122.57 2kkx s LYS 133 Ca -0.01 2.09 -0.20 0.00 -1.00 0.00 0.00 55.97 56.85 2kkx s LYS 133 Cb -0.14 -3.93 -0.01 0.00 -2.06 0.00 0.00 37.83 31.68 2kkx s LYS 133 CO -0.07 -0.81 1.85 -1.71 0.10 0.00 0.00 175.35 174.70 2kkx n ASN 134 N 6.98 3.95 -0.05 0.03 2.85 0.31 -4.76 115.26 124.58 2kkx n ASN 134 Ca 0.17 -2.81 -0.08 0.00 -0.11 0.00 0.00 54.58 51.75 2kkx n ASN 134 Cb 0.43 -1.73 0.09 0.00 1.24 0.00 0.00 39.78 39.81 2kkx n ASN 134 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2kkx h SER 135 N 8.57 0.71 -0.43 1.20 0.87 -1.87 0.15 113.55 122.74 2kkx h SER 135 Ca 0.34 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2kkx h SER 135 Cb 0.89 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2kkx h SER 135 CO 1.37 0.98 0.23 -0.78 -0.53 0.00 0.00 176.83 178.10 2kkx h ASP 136 N 0.57 0.57 0.04 6.23 3.58 -1.99 -3.26 116.42 122.17 2kkx h ASP 136 Ca 0.06 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kkx h ASP 136 Cb 0.83 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2kkx h ASP 136 CO 0.07 0.48 -0.02 1.23 -2.88 0.00 0.00 179.24 178.13 2kkx h GLY 137 N 0.75 -0.05 -1.19 -0.78 0.00 -1.92 -3.47 103.07 96.40 2kkx h GLY 137 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2kkx h GLY 137 CO -0.02 -0.02 -0.09 -1.26 0.00 0.00 0.00 176.54 175.14 2kkx n SER 138 N -3.67 -0.32 -1.73 0.19 2.88 -0.88 -4.99 113.62 105.10 2kkx n SER 138 Ca -0.01 -0.75 -0.18 0.00 -1.33 0.00 0.00 58.87 56.61 2kkx n SER 138 Cb 0.02 0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kkx n ASP 139 N 0.00 -5.22 -4.67 -3.46 8.00 0.49 -4.96 116.55 106.72 2kkx n ASP 139 Ca -0.09 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.21 2kkx n ASP 139 Cb 0.39 -4.30 -0.05 0.00 -0.02 0.00 0.00 41.12 37.14 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kkx s VAL 140 N -2.79 4.94 -0.03 2.53 1.01 -1.06 -3.21 120.40 121.79 2kkx s VAL 140 Ca 0.00 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 2kkx s VAL 140 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2kkx s VAL 140 CO 0.00 0.08 0.84 0.00 0.00 0.00 0.00 175.10 176.02 2kkx s THR 142 N 0.88 2.02 -0.50 0.00 2.01 -0.48 -4.72 115.64 114.85 2kkx s THR 142 Ca 0.45 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.13 2kkx s THR 142 Cb -0.19 -1.67 0.04 0.00 0.01 0.00 0.00 72.50 70.68 2kkx s THR 142 CO 0.23 0.57 0.78 -0.22 -0.69 0.00 0.00 174.62 175.29 2kkx s LEU 143 N -0.61 4.40 -0.01 4.42 2.96 -1.26 -1.36 118.68 127.22 2kkx s LEU 143 Ca 0.10 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2kkx s LEU 143 Cb -0.10 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2kkx s LEU 143 CO -0.01 -1.00 0.18 -0.36 -1.32 0.00 0.00 176.35 173.84 2kkx s PHE 144 N 3.30 3.55 0.24 5.38 0.08 -0.35 -3.60 117.98 126.57 2kkx s PHE 144 Ca 0.26 0.36 -0.30 0.00 0.12 0.00 0.00 56.93 57.37 2kkx s PHE 144 Cb -0.14 -1.83 -0.10 0.00 -0.57 0.00 0.00 43.02 40.37 2kkx s PHE 144 CO 0.18 0.65 1.45 0.34 -0.10 0.00 0.00 175.22 177.74 2kkx s ASP 145 N -1.91 6.65 0.18 1.36 2.15 -1.26 -0.59 116.67 123.24 2kkx s ASP 145 Ca 0.27 2.66 -0.13 0.00 0.43 0.00 0.00 52.55 55.78 2kkx s ASP 145 Cb -0.13 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.02 2kkx s ASP 145 CO 0.18 -0.71 1.76 0.00 -0.17 0.00 0.00 175.17 176.23 2kkx h ALA 146 N 5.16 0.59 -0.03 3.66 0.00 -1.79 -0.80 119.26 126.05 2kkx h ALA 146 Ca -0.46 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 2kkx h ALA 146 Cb 1.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2kkx h ALA 146 CO 0.79 -0.19 -0.65 0.00 0.00 0.00 0.00 179.25 179.19 2kkx h ALA 147 N 1.30 0.86 -0.16 0.00 0.00 -1.92 -1.85 119.26 117.50 2kkx h ALA 147 Ca 0.22 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 2kkx h ALA 147 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kkx h ALA 147 CO -0.21 0.79 -0.76 0.00 0.00 0.00 0.00 179.25 179.06 2kkx h ALA 148 N 1.25 0.33 0.00 0.00 0.00 -1.80 -0.97 119.26 118.08 2kkx h ALA 148 Ca -0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 2kkx h ALA 148 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kkx h ALA 148 CO 0.09 0.69 -0.93 0.35 0.00 0.00 0.00 179.25 179.45 2kkx h PHE 149 N 0.55 0.55 -0.89 0.00 3.57 -1.20 -2.74 116.94 116.79 2kkx h PHE 149 Ca -0.05 -0.30 0.02 0.00 3.53 0.00 0.00 57.97 61.17 2kkx h PHE 149 Cb 1.39 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.02 2kkx h PHE 149 CO 0.08 1.12 0.59 1.03 -2.23 0.00 0.00 178.31 178.90 2kkx h SER 150 N 0.21 1.00 -0.14 0.41 0.87 -1.33 -2.26 113.55 112.30 2kkx h SER 150 Ca -0.07 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2kkx h SER 150 Cb 1.57 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 2kkx h SER 150 CO 0.16 0.71 -0.00 -0.09 -0.53 0.00 0.00 176.83 177.08 2kkx h ARG 151 N 1.17 0.04 -0.47 2.24 9.65 -1.03 -1.91 114.38 124.08 2kkx h ARG 151 Ca 0.33 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.26 2kkx h ARG 151 Cb -0.09 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 2kkx h ARG 151 CO -0.08 0.03 0.21 -0.07 2.80 0.00 0.00 179.97 182.86 2kkx h LEU 152 N 0.04 0.28 -0.51 3.80 3.38 -1.14 -0.72 115.31 120.45 2kkx h LEU 152 Ca 0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2kkx h LEU 152 Cb 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2kkx h LEU 152 CO -0.12 0.20 0.07 0.58 0.09 0.00 0.00 178.44 179.26 2kkx h VAL 153 N 0.42 1.25 -0.17 1.22 2.07 -1.31 0.24 116.25 119.98 2kkx h VAL 153 Ca 0.21 -0.97 -0.16 0.00 0.82 0.00 0.00 66.70 66.61 2kkx h VAL 153 Cb 0.15 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2kkx h VAL 153 CO -0.17 0.34 -0.55 1.23 0.02 0.00 0.00 177.57 178.44 2kkx h GLY 154 N 0.73 0.55 1.62 2.17 0.00 -1.09 -3.02 103.07 104.02 2kkx h GLY 154 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kkx h GLY 154 CO 0.01 0.57 -0.24 1.18 0.00 0.00 0.00 176.54 178.06 2kkx n GLU 155 N -3.95 0.14 -1.01 4.80 -0.58 -0.30 -4.93 120.64 114.81 2kkx n GLU 155 Ca -0.03 0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 2kkx n GLU 155 Cb 0.60 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2kkx n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kkx n GLY 156 N 1.41 0.44 3.73 0.62 0.00 -0.30 -5.04 105.19 106.04 2kkx n GLY 156 Ca 0.05 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2kkx n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkx s LEU 157 N -0.11 4.43 1.24 0.99 1.43 0.68 -5.00 118.68 122.34 2kkx s LEU 157 Ca 0.00 2.18 -0.20 0.00 -1.03 0.00 0.00 54.13 55.07 2kkx s LEU 157 Cb 0.00 -3.60 0.30 0.00 0.03 0.00 0.00 46.19 42.93 2kkx s LEU 157 CO 0.00 -0.40 1.11 -2.16 0.23 0.00 0.00 176.35 175.13 2kkx s PRO 158 N 0.12 -1.55 0.15 1.29 0.04 -1.26 -4.36 135.00 129.43 2kkx s PRO 158 Ca 0.54 -0.16 -0.33 0.00 0.04 0.00 0.00 61.00 61.10 2kkx s PRO 158 Cb -0.32 -1.57 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 2kkx s PRO 158 CO 0.34 -3.91 1.72 1.58 0.04 0.00 0.00 177.00 176.78 2kkx n HIS 159 N -4.88 2.54 0.26 0.56 -0.00 -0.58 -4.86 115.22 108.25 2kkx n HIS 159 Ca 0.15 0.06 0.12 0.00 -0.00 0.00 0.00 57.72 58.04 2kkx n HIS 159 Cb 0.60 -2.65 0.71 0.00 -0.00 0.00 0.00 29.99 28.65 2kkx n HIS 159 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kkx h PRO 160 N 7.14 0.00 0.00 1.57 0.13 -1.93 0.11 132.00 139.02 2kkx h PRO 160 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2kkx h PRO 160 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2kkx h PRO 160 CO 0.93 0.12 -0.83 -0.07 -0.23 0.00 0.00 178.00 177.93 2kkx h LEU 161 N 0.00 0.00 0.00 1.56 3.38 -1.97 -3.42 115.31 114.86 2kkx h LEU 161 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2kkx h LEU 161 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kkx h LEU 161 CO 0.02 1.15 -0.86 1.07 0.09 0.00 0.00 178.44 179.91 2kkx n THR 162 N -4.53 0.00 -2.22 0.22 5.66 -1.22 -5.01 114.28 107.19 2kkx n THR 162 Ca -0.20 -0.24 -0.18 0.00 -3.05 0.00 0.00 64.05 60.37 2kkx n THR 162 Cb 0.49 0.77 -0.02 0.00 -1.55 0.00 0.00 70.33 70.02 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkx n ARG 163 N -1.47 -1.44 -2.33 1.09 5.12 0.38 -4.99 116.66 113.01 2kkx n ARG 163 Ca 0.01 0.94 -0.30 0.00 -1.93 0.00 0.00 57.85 56.57 2kkx n ARG 163 Cb 0.22 -5.42 -0.01 0.00 -1.16 0.00 0.00 32.46 26.10 2kkx n ARG 163 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkx s GLU 164 N -4.69 3.66 -0.06 5.56 0.41 -1.26 -4.64 118.70 117.68 2kkx s GLU 164 Ca 0.00 0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 54.83 2kkx s GLU 164 Cb 0.00 -2.23 -0.06 0.00 -1.78 0.00 0.00 34.13 30.06 2kkx s GLU 164 CO 0.00 -0.33 1.72 -1.25 -0.49 0.00 0.00 175.26 174.91 2kkx s PRO 165 N -4.67 4.12 0.18 0.39 0.04 -1.26 -1.53 135.00 132.27 2kkx s PRO 165 Ca 0.53 2.21 -0.32 0.00 0.04 0.00 0.00 61.00 63.46 2kkx s PRO 165 Cb -0.11 -4.03 -0.11 0.00 0.04 0.00 0.00 34.50 30.29 2kkx s PRO 165 CO 0.44 -0.93 1.77 0.42 0.04 0.00 0.00 177.00 178.74 2kkx s ILE 166 N 4.30 2.17 0.04 0.56 1.01 -1.26 -4.91 121.20 123.12 2kkx s ILE 166 Ca 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 2kkx s ILE 166 Cb -0.34 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2kkx s ILE 166 CO 0.32 0.00 -0.01 0.28 0.00 0.00 0.00 174.94 175.53 2kkx s THR 167 N 1.72 0.17 0.36 2.92 -1.32 -1.26 -5.04 115.64 113.19 2kkx s THR 167 Ca 0.77 -1.38 0.32 0.00 -1.21 0.00 0.00 61.69 60.19 2kkx s THR 167 Cb -0.49 -0.99 0.34 0.00 -1.51 0.00 0.00 72.50 69.85 2kkx s THR 167 CO 0.34 -0.76 2.09 0.00 -2.21 0.00 0.00 174.62 174.07 2kkx h ALA 168 N 3.73 1.13 -0.19 11.08 0.00 -1.93 -3.06 119.26 130.03 2kkx h ALA 168 Ca -0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kkx h ALA 168 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kkx h ALA 168 CO 0.55 0.09 -0.04 0.77 0.00 0.00 0.00 179.25 180.62 2kkx h SER 169 N 0.00 0.25 0.10 0.00 0.02 -1.98 -3.05 113.55 108.90 2kkx h SER 169 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2kkx h SER 169 Cb 0.35 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2kkx h SER 169 CO 0.01 0.34 -0.67 2.30 -1.14 0.00 0.00 176.83 177.67 2kkx n ILE 170 N -4.34 0.00 -3.60 3.27 -5.35 -1.15 -4.90 119.36 103.28 2kkx n ILE 170 Ca -0.00 -0.09 -0.37 0.00 -0.27 0.00 0.00 62.75 62.02 2kkx n ILE 170 Cb 0.21 0.88 -0.07 0.00 -1.74 0.00 0.00 39.64 38.93 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -2.78 5.30 0.39 7.28 2.07 -1.15 -0.52 121.20 131.79 2kkx s ILE 171 Ca 0.14 0.52 0.05 0.00 -1.41 0.00 0.00 60.65 59.95 2kkx s ILE 171 Cb 0.17 -3.60 -0.02 0.00 0.13 0.00 0.00 42.46 39.14 2kkx s ILE 171 CO 0.71 0.47 0.18 0.68 -1.91 0.00 0.00 174.94 175.07 2kkx s VAL 172 N -0.10 0.38 0.42 4.00 -7.23 -0.17 -4.95 120.40 112.75 2kkx s VAL 172 Ca 0.17 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.42 2kkx s VAL 172 Cb -0.13 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.45 2kkx s VAL 172 CO 0.05 0.00 0.57 -0.54 -0.31 0.00 0.00 175.10 174.87 2kkx s LYS 173 N -3.61 2.80 0.39 4.82 1.02 -1.26 -3.78 119.74 120.12 2kkx s LYS 173 Ca 0.28 -1.26 0.17 0.00 0.02 0.00 0.00 55.97 55.17 2kkx s LYS 173 Cb 0.02 -2.74 0.80 0.00 -0.52 0.00 0.00 37.83 35.39 2kkx s LYS 173 CO 0.19 -0.28 1.82 1.12 -0.92 0.00 0.00 175.35 177.28 2kkx h HIS 174 N 0.65 0.00 -0.39 3.18 2.07 -1.89 -2.62 115.15 116.14 2kkx h HIS 174 Ca -0.40 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.03 2kkx h HIS 174 Cb 1.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.25 2kkx h HIS 174 CO 0.41 0.35 -0.13 1.49 -3.07 0.00 0.00 177.93 176.98 2kkx h GLU 175 N 0.00 0.78 0.00 5.12 4.22 -1.97 -3.30 114.58 119.43 2kkx h GLU 175 Ca -0.00 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.12 2kkx h GLU 175 Cb 0.71 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kkx h GLU 175 CO 0.05 0.93 0.00 -1.91 -2.18 0.00 0.00 179.01 175.89 2kkx n GLU 176 N -4.32 0.11 -4.37 1.92 4.07 -1.00 -4.65 120.64 112.41 2kkx n GLU 176 Ca -0.01 0.22 -0.29 0.00 -0.06 0.00 0.00 57.16 57.02 2kkx n GLU 176 Cb 0.38 -1.66 -0.12 0.00 -0.06 0.00 0.00 31.44 29.97 2kkx n GLU 176 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kkx s ILE 178 N -1.23 0.63 0.07 0.00 -0.00 -0.45 -4.86 121.20 115.35 2kkx s ILE 178 Ca 0.17 -1.92 -0.31 0.00 -0.00 0.00 0.00 60.65 58.59 2kkx s ILE 178 Cb -0.10 -1.66 -0.07 0.00 -0.00 0.00 0.00 42.46 40.63 2kkx s ILE 178 CO 0.08 -0.89 1.45 -0.72 -0.00 0.00 0.00 174.94 174.86 2kkx s TYR 179 N -3.66 2.95 -0.18 1.37 1.13 -1.26 -1.17 117.35 116.52 2kkx s TYR 179 Ca 0.11 0.78 -0.06 0.00 -1.41 0.00 0.00 57.07 56.49 2kkx s TYR 179 Cb 0.06 -3.74 -0.03 0.00 -1.10 0.00 0.00 41.96 37.15 2kkx s TYR 179 CO -0.05 -2.72 0.02 0.34 -2.51 0.00 0.00 175.55 170.62 2kkx s ASP 180 N 1.60 5.14 0.07 -0.18 -1.08 -0.59 -4.89 116.67 116.73 2kkx s ASP 180 Ca 0.66 -0.07 -0.16 0.00 -0.52 0.00 0.00 52.55 52.46 2kkx s ASP 180 Cb -0.36 -1.87 -0.16 0.00 -1.46 0.00 0.00 42.92 39.07 2kkx s ASP 180 CO 0.29 0.13 1.27 -0.78 0.52 0.00 0.00 175.17 176.61 2kkx h ASP 181 N 7.00 0.74 1.55 -0.34 3.58 -1.95 0.65 116.42 127.65 2kkx h ASP 181 Ca -0.35 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.48 2kkx h ASP 181 Cb 1.18 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2kkx h ASP 181 CO 0.65 1.24 0.00 0.00 -2.88 0.00 0.00 179.24 178.24 2kkx h THR 182 N 0.29 0.00 0.00 2.25 1.03 -1.95 -2.45 112.91 112.07 2kkx h THR 182 Ca -0.03 -0.59 -0.27 0.00 -0.01 0.00 0.00 66.41 65.51 2kkx h THR 182 Cb 1.20 1.57 -0.05 0.00 -1.07 0.00 0.00 68.15 69.80 2kkx h THR 182 CO 0.12 0.00 -1.58 0.03 -0.01 0.00 0.00 175.52 174.08 2kkx h ARG 183 N 0.00 0.00 -0.10 0.00 2.47 -2.00 -3.49 114.38 111.27 2kkx h ARG 183 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2kkx h ARG 183 Cb 0.77 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 2kkx h ARG 183 CO 0.00 0.56 -0.04 0.41 0.56 0.00 0.00 179.97 181.46 2kkx n GLY 184 N 1.51 0.55 3.45 0.04 0.00 0.16 -5.01 105.19 105.89 2kkx n GLY 184 Ca -0.14 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2kkx n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kkx s ASN 185 N -2.79 -0.51 0.10 1.61 3.84 -0.82 -4.97 114.94 111.40 2kkx s ASN 185 Ca 0.00 -0.01 -0.31 0.00 0.21 0.00 0.00 52.86 52.75 2kkx s ASN 185 Cb 0.00 0.54 -0.10 0.00 -0.55 0.00 0.00 41.25 41.14 2kkx s ASN 185 CO 0.00 -0.87 1.81 -0.36 -2.79 0.00 0.00 177.10 174.88 2kkx s PHE 186 N -3.57 2.11 0.44 0.43 0.40 -1.26 -1.55 117.98 114.98 2kkx s PHE 186 Ca 0.02 0.00 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2kkx s PHE 186 Cb -0.01 -4.14 -0.02 0.00 0.51 0.00 0.00 43.02 39.36 2kkx s PHE 186 CO -0.12 -4.73 0.12 0.96 0.70 0.00 0.00 175.22 172.16 2kkx s ILE 187 N 2.91 0.59 0.41 0.64 -4.36 -0.32 -1.44 121.20 119.64 2kkx s ILE 187 Ca 0.80 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.97 2kkx s ILE 187 Cb -0.44 -2.24 -0.11 0.00 1.25 0.00 0.00 42.46 40.92 2kkx s ILE 187 CO 0.36 0.00 0.95 -0.63 0.24 0.00 0.00 174.94 175.86 2kkx s ILE 188 N -3.13 4.35 0.74 8.37 -1.09 -1.20 -1.34 121.20 127.90 2kkx s ILE 188 Ca 0.19 1.54 -0.14 0.00 -2.23 0.00 0.00 60.65 60.00 2kkx s ILE 188 Cb 0.01 -3.66 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2kkx s ILE 188 CO 0.13 -0.25 1.16 -0.54 -1.23 0.00 0.00 174.94 174.21 2kkx s LYS 189 N -3.01 2.20 0.00 2.79 1.02 -0.84 -4.83 119.74 117.07 2kkx s LYS 189 Ca 0.60 1.56 0.23 0.00 0.02 0.00 0.00 55.97 58.38 2kkx s LYS 189 Cb -0.11 -1.86 0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2kkx s LYS 189 CO 0.15 -1.75 1.12 0.41 -0.92 0.00 0.00 175.35 174.36 2kkx n GLY 190 N -0.07 0.07 0.58 -3.33 0.00 -1.26 -5.07 105.19 96.11 2kkx n GLY 190 Ca 0.12 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.63 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31