#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 0.03 -0.44 1.43 7.50 -1.95 -2.69 115.11 118.99 2kkx h GLN 91 Ca 0.00 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 2kkx h GLN 91 Cb 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 2kkx h GLN 91 CO 0.00 0.02 0.13 1.05 -1.50 0.00 0.00 178.83 178.53 2kkx h GLU 92 N 0.04 0.65 -0.43 1.46 9.09 -1.99 -0.14 114.58 123.26 2kkx h GLU 92 Ca 0.02 -0.11 -0.07 0.00 0.05 0.00 0.00 59.36 59.24 2kkx h GLU 92 Cb 0.01 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 2kkx h GLU 92 CO -0.02 0.58 -0.02 1.03 0.05 0.00 0.00 179.01 180.64 2kkx h SER 93 N 0.64 0.76 -0.61 3.06 0.87 -1.98 -2.32 113.55 113.96 2kkx h SER 93 Ca 0.15 -0.32 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 2kkx h SER 93 Cb 0.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2kkx h SER 93 CO -0.01 0.89 0.12 0.40 -0.53 0.00 0.00 176.83 177.71 2kkx h ILE 94 N 0.60 1.26 -0.84 2.23 2.04 -1.05 -2.77 117.51 118.98 2kkx h ILE 94 Ca 0.12 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.05 2kkx h ILE 94 Cb 0.52 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2kkx h ILE 94 CO 0.03 0.36 0.54 1.56 0.00 0.00 0.00 178.15 180.63 2kkx h GLN 95 N 0.91 1.00 -0.86 2.37 1.08 -0.84 0.57 115.11 119.34 2kkx h GLN 95 Ca 0.19 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2kkx h GLN 95 Cb 0.40 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 2kkx h GLN 95 CO 0.01 0.66 0.56 -0.91 -0.95 0.00 0.00 178.83 178.20 2kkx h ASN 96 N 1.03 0.99 -0.38 1.46 2.35 -1.27 -1.53 115.58 118.24 2kkx h ASN 96 Ca 0.34 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 2kkx h ASN 96 Cb 0.03 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2kkx h ASN 96 CO -0.12 0.73 0.07 0.11 -1.65 0.00 0.00 177.43 176.56 2kkx h LYS 97 N 1.17 0.62 -0.91 0.81 6.56 -0.96 -1.89 116.57 121.96 2kkx h LYS 97 Ca 0.31 -0.16 0.02 0.00 -1.06 0.00 0.00 60.65 59.77 2kkx h LYS 97 Cb -0.12 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 31.42 2kkx h LYS 97 CO -0.07 0.67 0.60 0.82 -2.06 0.00 0.00 179.45 179.41 2kkx h ILE 98 N 0.46 1.18 -0.66 1.86 2.04 -0.74 0.36 117.51 122.01 2kkx h ILE 98 Ca 0.11 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2kkx h ILE 98 Cb 0.35 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2kkx h ILE 98 CO 0.01 0.22 0.14 -1.28 0.00 0.00 0.00 178.15 177.23 2kkx h SER 99 N 1.18 1.01 1.09 1.72 0.87 -1.12 -2.30 113.55 116.00 2kkx h SER 99 Ca 0.35 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 2kkx h SER 99 Cb -0.05 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 2kkx h SER 99 CO -0.10 0.99 -0.96 1.56 -0.53 0.00 0.00 176.83 177.78 2kkx h GLN 100 N 1.01 0.00 0.00 2.24 1.08 -0.65 -3.36 115.11 115.42 2kkx h GLN 100 Ca 0.21 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 2kkx h GLN 100 Cb 0.39 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 2kkx h GLN 100 CO 0.01 0.24 -1.22 0.00 -0.95 0.00 0.00 178.83 176.90 2kkx s LYS 102 N -3.05 0.45 0.20 0.00 -2.85 -0.87 -3.24 119.74 110.38 2kkx s LYS 102 Ca -0.02 0.59 -0.18 0.00 -1.00 0.00 0.00 55.97 55.37 2kkx s LYS 102 Cb 0.09 -1.73 0.03 0.00 -2.06 0.00 0.00 37.83 34.15 2kkx s LYS 102 CO 0.80 -2.74 0.53 -0.59 0.10 0.00 0.00 175.35 173.46 2kkx s PHE 103 N -2.92 -0.13 -0.61 1.78 -0.71 -0.73 -4.87 117.98 109.79 2kkx s PHE 103 Ca 0.65 -0.22 -0.26 0.00 -1.04 0.00 0.00 56.93 56.06 2kkx s PHE 103 Cb -0.19 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2kkx s PHE 103 CO 0.58 -0.93 1.97 0.45 -1.34 0.00 0.00 175.22 175.95 2kkx s SER 104 N -2.87 5.08 -0.74 1.98 0.15 -1.26 -2.08 113.70 113.96 2kkx s SER 104 Ca 0.09 0.39 -0.26 0.00 0.70 0.00 0.00 55.95 56.88 2kkx s SER 104 Cb -0.01 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2kkx s SER 104 CO -0.02 -2.52 1.85 -0.69 1.20 0.00 0.00 173.24 173.05 2kkx s VAL 105 N 9.82 3.43 -0.58 4.45 1.01 -0.20 -4.93 120.40 133.39 2kkx s VAL 105 Ca 0.73 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 2kkx s VAL 105 Cb -0.13 -4.05 0.14 0.00 0.00 0.00 0.00 36.38 32.34 2kkx s VAL 105 CO 0.20 -1.01 0.54 0.00 0.00 0.00 0.00 175.10 174.83 2kkx h PRO 107 N 8.73 0.95 -0.05 0.00 0.13 -1.92 -1.49 132.00 138.35 2kkx h PRO 107 Ca -0.24 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2kkx h PRO 107 Cb 1.09 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2kkx h PRO 107 CO 1.00 0.63 -0.53 1.05 -0.23 0.00 0.00 178.00 179.92 2kkx h GLU 108 N 0.98 0.14 0.13 0.86 4.11 -1.93 -2.57 114.58 116.30 2kkx h GLU 108 Ca 0.35 -0.08 -0.28 0.00 0.07 0.00 0.00 59.36 59.41 2kkx h GLU 108 Cb 0.13 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kkx h GLU 108 CO -0.11 0.64 -1.23 0.00 0.07 0.00 0.00 179.01 178.37 2kkx h ARG 109 N 0.11 0.40 0.00 1.06 3.08 -1.72 -3.19 114.38 114.12 2kkx h ARG 109 Ca 0.00 -0.60 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 2kkx h ARG 109 Cb 0.97 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2kkx h ARG 109 CO 0.08 1.26 -0.08 -0.07 -1.07 0.00 0.00 179.97 180.09 2kkx h LEU 110 N 0.15 0.00 0.00 3.04 3.38 -1.27 -3.47 115.31 117.14 2kkx h LEU 110 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kkx h LEU 110 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2kkx h LEU 110 CO 0.22 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2kkx n GLN 111 N -3.23 0.00 -1.70 1.13 6.02 -0.97 -4.95 117.38 113.67 2kkx n GLN 111 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 2kkx n GLN 111 Cb 0.32 -0.26 -0.02 0.00 1.02 0.00 0.00 30.24 31.30 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkx s PRO 113 N -0.36 -0.37 0.21 0.00 0.04 -1.26 -4.72 135.00 128.54 2kkx s PRO 113 Ca 0.67 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2kkx s PRO 113 Cb -0.60 -1.61 0.28 0.00 0.04 0.00 0.00 34.50 32.62 2kkx s PRO 113 CO 0.48 -3.41 1.69 -0.07 0.04 0.00 0.00 177.00 175.74 2kkx h LEU 114 N -2.40 -0.10 -1.00 -3.56 3.38 -1.92 -0.48 115.31 109.22 2kkx h LEU 114 Ca -0.57 0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.57 2kkx h LEU 114 Cb 1.32 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 2kkx h LEU 114 CO 0.49 -0.04 0.65 1.05 0.09 0.00 0.00 178.44 180.68 2kkx h GLU 115 N 0.20 1.21 0.00 1.13 4.11 -1.95 0.71 114.58 119.98 2kkx h GLU 115 Ca 0.31 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.63 2kkx h GLU 115 Cb 0.47 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2kkx h GLU 115 CO -0.44 0.80 -0.17 0.00 0.07 0.00 0.00 179.01 179.27 2kkx h ALA 116 N 1.42 1.17 0.00 1.06 0.00 -1.40 -2.69 119.26 118.82 2kkx h ALA 116 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kkx h ALA 116 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kkx h ALA 116 CO -0.14 0.21 -0.00 0.44 0.00 0.00 0.00 179.25 179.76 2kkx n ILE 117 N -3.54 1.09 -2.25 0.00 -5.35 -1.06 -4.84 119.36 103.41 2kkx n ILE 117 Ca -0.01 -1.13 -0.41 0.00 -0.27 0.00 0.00 62.75 60.92 2kkx n ILE 117 Cb 0.32 0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.21 4.41 -0.19 6.28 0.74 0.22 -4.36 119.66 125.55 2kkx s GLN 118 Ca 0.04 2.01 -0.29 0.00 0.05 0.00 0.00 55.36 57.17 2kkx s GLN 118 Cb 0.03 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 2kkx s GLN 118 CO 0.00 -0.22 1.74 0.00 -0.55 0.00 0.00 175.29 176.26 2kkx n PRO 120 N 7.79 0.83 -0.07 0.00 -0.04 -1.26 -0.87 135.00 141.37 2kkx n PRO 120 Ca 0.20 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2kkx n PRO 120 Cb 0.45 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.77 -0.00 0.52 2.04 -1.93 -3.41 117.51 115.50 2kkx h ILE 121 Ca 0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2kkx h ILE 121 Cb 0.00 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2kkx h ILE 121 CO 0.00 0.26 -0.65 0.35 0.00 0.00 0.00 178.15 178.11 2kkx n THR 122 N -4.60 0.00 -3.69 -0.27 -2.24 -1.19 -4.98 114.28 97.32 2kkx n THR 122 Ca -0.13 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 2kkx n THR 122 Cb 0.38 0.74 0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.10 -3.18 -3.72 3.22 7.99 -0.05 -5.01 117.00 115.15 2kkx n LEU 123 Ca 0.07 -0.65 -0.12 0.00 -0.01 0.00 0.00 56.01 55.29 2kkx n LEU 123 Cb 0.36 -2.86 -0.07 0.00 -0.11 0.00 0.00 43.42 40.74 2kkx n LEU 123 CO 0.35 0.54 0.08 -1.83 -1.51 0.00 0.00 177.39 175.02 2kkx s GLU 124 N -6.27 0.82 -0.16 3.23 -1.05 -1.19 -4.98 118.70 109.10 2kkx s GLU 124 Ca 0.48 -0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 54.64 2kkx s GLU 124 Cb -0.23 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 2kkx s GLU 124 CO 0.77 -0.26 1.43 -1.14 0.95 0.00 0.00 175.26 177.01 2kkx s GLN 125 N -2.23 4.12 0.76 -4.83 -0.44 -1.26 -0.79 119.66 114.98 2kkx s GLN 125 Ca -0.07 1.76 -0.11 0.00 -2.50 0.00 0.00 55.36 54.44 2kkx s GLN 125 Cb -0.02 -3.88 0.05 0.00 -1.64 0.00 0.00 33.01 27.52 2kkx s GLN 125 CO -0.01 -0.88 1.09 -1.25 0.50 0.00 0.00 175.29 174.74 2kkx s PRO 126 N 3.90 2.37 -0.03 1.67 0.04 -1.26 -4.92 135.00 136.76 2kkx s PRO 126 Ca 0.63 0.71 0.22 0.00 0.04 0.00 0.00 61.00 62.59 2kkx s PRO 126 Cb -0.25 -1.94 -0.32 0.00 0.04 0.00 0.00 34.50 32.03 2kkx s PRO 126 CO 0.22 -1.44 0.48 -0.85 0.04 0.00 0.00 177.00 175.45 2kkx n GLU 127 N -3.32 0.66 -3.79 4.56 0.28 -1.26 -4.62 120.64 113.15 2kkx n GLU 127 Ca 0.07 -0.17 -0.14 0.00 -0.16 0.00 0.00 57.16 56.77 2kkx n GLU 127 Cb 0.56 -1.54 -0.15 0.00 1.43 0.00 0.00 31.44 31.74 2kkx n GLU 127 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2kkx s LYS 128 N -3.44 0.05 0.04 3.44 0.00 -1.26 -1.03 119.74 117.53 2kkx s LYS 128 Ca -0.08 0.23 -0.27 0.00 0.00 0.00 0.00 55.97 55.85 2kkx s LYS 128 Cb 0.13 -0.14 0.09 0.00 0.00 0.00 0.00 37.83 37.92 2kkx s LYS 128 CO 0.90 -0.12 0.78 0.20 0.00 0.00 0.00 175.35 177.11 2kkx s GLY 129 N 0.79 -0.51 0.22 0.59 0.00 -0.89 -1.62 107.32 105.91 2kkx s GLY 129 Ca -0.06 0.93 0.09 0.00 0.00 0.00 0.00 44.72 45.68 2kkx s GLY 129 CO -0.03 0.38 -0.06 -0.26 0.00 0.00 0.00 173.10 173.13 2kkx s ILE 130 N -3.03 3.31 -0.30 0.90 -4.36 0.26 -1.77 121.20 116.20 2kkx s ILE 130 Ca 0.02 -1.77 -0.12 0.00 -0.26 0.00 0.00 60.65 58.52 2kkx s ILE 130 Cb -0.01 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 2kkx s ILE 130 CO -0.08 -0.23 0.24 -0.36 0.24 0.00 0.00 174.94 174.75 2kkx s PHE 131 N -1.99 3.22 -0.16 1.37 0.08 -1.26 -1.11 117.98 118.13 2kkx s PHE 131 Ca 0.28 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.38 2kkx s PHE 131 Cb -0.08 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.95 2kkx s PHE 131 CO 0.17 -0.24 -0.15 0.08 -0.10 0.00 0.00 175.22 174.97 2kkx s VAL 132 N 1.80 1.72 -0.21 -0.44 1.01 -0.56 -1.54 120.40 122.19 2kkx s VAL 132 Ca 0.08 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2kkx s VAL 132 Cb -0.16 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2kkx s VAL 132 CO 0.11 0.45 1.73 -1.59 0.00 0.00 0.00 175.10 175.80 2kkx s LYS 133 N 1.42 3.71 -1.15 2.72 -2.85 0.43 -1.60 119.74 122.42 2kkx s LYS 133 Ca 0.04 1.77 -0.22 0.00 -1.00 0.00 0.00 55.97 56.56 2kkx s LYS 133 Cb -0.13 -4.10 -0.02 0.00 -2.06 0.00 0.00 37.83 31.52 2kkx s LYS 133 CO -0.11 -1.40 1.83 1.21 0.10 0.00 0.00 175.35 176.98 2kkx s ASN 134 N 4.85 5.71 0.38 0.03 3.84 0.74 -4.80 114.94 125.68 2kkx s ASN 134 Ca 0.77 -1.70 0.06 0.00 0.21 0.00 0.00 52.86 52.20 2kkx s ASN 134 Cb -0.27 -2.58 0.74 0.00 -0.55 0.00 0.00 41.25 38.59 2kkx s ASN 134 CO 0.31 -2.33 1.96 -1.28 -2.79 0.00 0.00 177.10 172.98 2kkx h SER 135 N 9.38 0.45 -0.22 -4.21 0.87 -1.86 -1.95 113.55 116.00 2kkx h SER 135 Ca 0.26 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 2kkx h SER 135 Cb 0.94 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2kkx h SER 135 CO 1.31 0.44 -0.16 -0.78 -0.53 0.00 0.00 176.83 177.10 2kkx h ASP 136 N 0.49 0.64 0.52 6.23 3.58 -1.95 -2.77 116.42 123.17 2kkx h ASP 136 Ca 0.12 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 2kkx h ASP 136 Cb 0.15 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2kkx h ASP 136 CO -0.01 0.82 -0.36 1.23 -2.88 0.00 0.00 179.24 178.05 2kkx h GLY 137 N 0.98 -1.06 0.00 -0.78 0.00 -1.77 -3.45 103.07 96.98 2kkx h GLY 137 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2kkx h GLY 137 CO 0.04 -0.35 0.00 -1.26 0.00 0.00 0.00 176.54 174.97 2kkx n SER 138 N -4.59 0.00 -0.80 0.19 2.88 -1.19 -4.89 113.62 105.23 2kkx n SER 138 Ca -0.10 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 2kkx n SER 138 Cb 0.35 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 2kkx n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kkx n ASP 139 N 0.00 -4.95 -4.68 -3.46 -0.08 -1.04 -4.95 116.55 97.38 2kkx n ASP 139 Ca 0.00 0.26 -0.43 0.00 -1.51 0.00 0.00 54.79 53.11 2kkx n ASP 139 Cb 0.00 -3.36 -0.02 0.00 2.34 0.00 0.00 41.12 40.07 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kkx s VAL 140 N -2.15 4.61 0.01 5.18 1.01 -0.79 -4.20 120.40 124.07 2kkx s VAL 140 Ca 0.00 1.90 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 2kkx s VAL 140 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2kkx s VAL 140 CO 0.00 -0.03 0.73 0.00 0.00 0.00 0.00 175.10 175.80 2kkx s THR 142 N 0.15 2.11 -0.48 0.00 2.01 -0.63 -4.51 115.64 114.29 2kkx s THR 142 Ca 0.37 -1.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 2kkx s THR 142 Cb -0.19 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.61 2kkx s THR 142 CO 0.21 0.58 0.71 -0.22 -0.69 0.00 0.00 174.62 175.21 2kkx s LEU 143 N -0.49 4.54 0.18 4.42 2.96 -1.26 -1.50 118.68 127.54 2kkx s LEU 143 Ca 0.06 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2kkx s LEU 143 Cb -0.11 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2kkx s LEU 143 CO 0.00 -0.91 0.34 -0.36 -1.32 0.00 0.00 176.35 174.10 2kkx s PHE 144 N 3.02 3.48 0.32 5.38 0.40 -0.27 -3.70 117.98 126.61 2kkx s PHE 144 Ca 0.22 0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 56.47 2kkx s PHE 144 Cb -0.15 -1.74 -0.10 0.00 0.51 0.00 0.00 43.02 41.54 2kkx s PHE 144 CO 0.17 0.44 1.22 0.34 0.70 0.00 0.00 175.22 178.10 2kkx s ASP 145 N -3.30 6.93 0.16 1.36 2.15 -1.26 -0.58 116.67 122.13 2kkx s ASP 145 Ca 0.36 2.52 -0.13 0.00 0.43 0.00 0.00 52.55 55.73 2kkx s ASP 145 Cb -0.11 -2.64 0.05 0.00 -0.30 0.00 0.00 42.92 39.92 2kkx s ASP 145 CO 0.29 -0.41 1.69 0.00 -0.17 0.00 0.00 175.17 176.58 2kkx h ALA 146 N 3.48 0.69 0.00 3.66 0.00 -1.60 -1.70 119.26 123.78 2kkx h ALA 146 Ca -0.48 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2kkx h ALA 146 Cb 1.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2kkx h ALA 146 CO 0.66 0.33 -0.86 0.00 0.00 0.00 0.00 179.25 179.38 2kkx h ALA 147 N 1.04 0.55 -0.05 0.00 0.00 -1.93 -2.45 119.26 116.42 2kkx h ALA 147 Ca 0.17 -0.74 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 2kkx h ALA 147 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kkx h ALA 147 CO -0.01 0.96 -0.72 0.00 0.00 0.00 0.00 179.25 179.48 2kkx h ALA 148 N 1.26 0.16 -0.05 0.00 0.00 -1.90 -1.43 119.26 117.29 2kkx h ALA 148 Ca -0.04 -0.59 -0.24 0.00 0.00 0.00 0.00 54.91 54.04 2kkx h ALA 148 Cb 1.60 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2kkx h ALA 148 CO 0.09 0.50 -0.91 0.35 0.00 0.00 0.00 179.25 179.28 2kkx h PHE 149 N 0.20 0.90 -0.82 0.00 3.57 -1.43 -2.70 116.94 116.66 2kkx h PHE 149 Ca -0.08 -0.45 0.08 0.00 3.53 0.00 0.00 57.97 61.05 2kkx h PHE 149 Cb 1.39 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 2kkx h PHE 149 CO 0.12 1.28 0.53 1.03 -2.23 0.00 0.00 178.31 179.04 2kkx h SER 150 N 0.39 0.76 0.72 0.41 0.87 -1.49 -1.71 113.55 113.50 2kkx h SER 150 Ca -0.09 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 2kkx h SER 150 Cb 1.55 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.36 2kkx h SER 150 CO 0.17 0.48 -0.35 -0.09 -0.53 0.00 0.00 176.83 176.51 2kkx h ARG 151 N 0.85 -0.93 -0.73 2.24 9.65 -1.16 -2.11 114.38 122.19 2kkx h ARG 151 Ca 0.36 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.42 2kkx h ARG 151 Cb 0.30 0.21 -0.08 0.00 -1.39 0.00 0.00 29.97 29.01 2kkx h ARG 151 CO -0.13 -0.62 0.33 -0.07 2.80 0.00 0.00 179.97 182.28 2kkx h LEU 152 N -0.97 0.39 -0.17 3.80 3.38 -1.11 -0.30 115.31 120.33 2kkx h LEU 152 Ca -0.10 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kkx h LEU 152 Cb 0.74 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2kkx h LEU 152 CO 0.16 0.20 0.08 0.58 0.09 0.00 0.00 178.44 179.55 2kkx h VAL 153 N 0.53 1.13 0.00 1.22 2.07 -1.35 0.12 116.25 119.98 2kkx h VAL 153 Ca 0.38 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2kkx h VAL 153 Cb 0.48 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2kkx h VAL 153 CO -0.32 0.13 -0.18 1.23 0.02 0.00 0.00 177.57 178.44 2kkx h GLY 154 N 0.14 0.00 2.00 2.17 0.00 -0.53 -1.08 103.07 105.77 2kkx h GLY 154 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 2kkx h GLY 154 CO -0.01 0.00 -0.30 0.83 0.00 0.00 0.00 176.54 177.06 2kkx h GLU 155 N 0.00 0.00 0.00 4.80 4.39 -0.92 -3.48 114.58 119.37 2kkx h GLU 155 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkx h GLU 155 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2kkx h GLU 155 CO 0.02 0.30 0.00 0.41 -1.16 0.00 0.00 179.01 178.59 2kkx n GLY 156 N 1.02 0.97 3.89 -3.84 0.00 -0.41 -5.10 105.19 101.73 2kkx n GLY 156 Ca 0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 3.77 0.00 0.99 1.43 -0.02 -5.02 118.68 119.83 2kkx s LEU 157 Ca 0.00 1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.98 2kkx s LEU 157 Cb 0.00 -3.91 0.17 0.00 0.03 0.00 0.00 46.19 42.49 2kkx s LEU 157 CO 0.00 -0.45 0.94 -0.81 0.23 0.00 0.00 176.35 176.26 2kkx n PRO 158 N -1.66 -1.20 -1.78 1.29 -0.04 -1.26 -4.49 135.00 125.86 2kkx n PRO 158 Ca 0.01 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.59 2kkx n PRO 158 Cb 0.54 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.95 2kkx n PRO 158 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kkx s HIS 159 N -3.01 2.45 0.40 0.54 5.65 -0.32 -4.88 115.29 116.13 2kkx s HIS 159 Ca 0.54 0.18 0.36 0.00 0.25 0.00 0.00 55.06 56.40 2kkx s HIS 159 Cb -0.02 -4.11 1.79 0.00 -1.18 0.00 0.00 32.58 29.07 2kkx s HIS 159 CO 0.39 -4.42 2.16 -1.00 -0.65 0.00 0.00 174.74 171.21 2kkx h PRO 160 N 7.98 0.00 0.00 2.88 0.13 -1.95 0.11 132.00 141.15 2kkx h PRO 160 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kkx h PRO 160 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kkx h PRO 160 CO 0.94 0.03 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.50 2kkx h LEU 161 N 0.00 0.00 -1.51 1.56 3.38 -1.94 -3.43 115.31 113.37 2kkx h LEU 161 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kkx h LEU 161 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kkx h LEU 161 CO 0.00 0.27 -0.09 1.07 0.09 0.00 0.00 178.44 179.78 2kkx n THR 162 N -3.11 0.00 -2.08 0.22 5.66 -1.24 -4.98 114.28 108.76 2kkx n THR 162 Ca -0.02 -0.45 -0.19 0.00 -3.05 0.00 0.00 64.05 60.34 2kkx n THR 162 Cb 0.09 1.34 -0.03 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.75 -1.43 -2.65 1.09 5.12 0.02 -4.97 116.66 114.59 2kkx n ARG 163 Ca 0.10 0.99 -0.33 0.00 -1.93 0.00 0.00 57.85 56.68 2kkx n ARG 163 Cb 0.44 -5.45 -0.05 0.00 -1.16 0.00 0.00 32.46 26.24 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 -4.47 4.00 -0.20 5.56 0.41 -1.26 -4.60 118.70 118.14 2kkx s GLU 164 Ca 0.00 1.21 -0.29 0.00 -0.41 0.00 0.00 54.97 55.48 2kkx s GLU 164 Cb 0.00 -2.14 -0.04 0.00 -1.78 0.00 0.00 34.13 30.17 2kkx s GLU 164 CO 0.00 -0.24 1.80 -1.25 -0.49 0.00 0.00 175.26 175.09 2kkx s PRO 165 N -3.30 3.66 0.26 0.39 0.04 -1.26 -1.17 135.00 133.62 2kkx s PRO 165 Ca 0.64 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 2kkx s PRO 165 Cb -0.12 -4.14 -0.12 0.00 0.04 0.00 0.00 34.50 30.16 2kkx s PRO 165 CO 0.18 -1.47 1.63 -0.89 0.04 0.00 0.00 177.00 176.49 2kkx n ILE 166 N 6.67 0.65 -3.89 0.56 5.41 -1.26 -4.92 119.36 122.58 2kkx n ILE 166 Ca 0.22 -0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.71 2kkx n ILE 166 Cb 0.45 -1.93 -0.05 0.00 -0.71 0.00 0.00 39.64 37.39 2kkx n ILE 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kkx s THR 167 N 0.40 0.04 0.13 1.39 -1.32 -1.26 -4.76 115.64 110.26 2kkx s THR 167 Ca 0.68 -1.17 0.34 0.00 -1.21 0.00 0.00 61.69 60.33 2kkx s THR 167 Cb -0.51 -1.83 0.38 0.00 -1.51 0.00 0.00 72.50 69.02 2kkx s THR 167 CO 0.43 -0.16 2.02 0.00 -2.21 0.00 0.00 174.62 174.69 2kkx h ALA 168 N 2.35 1.00 -0.21 11.08 0.00 -1.92 -3.01 119.26 128.54 2kkx h ALA 168 Ca -0.29 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2kkx h ALA 168 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kkx h ALA 168 CO 0.41 0.00 -0.43 1.03 0.00 0.00 0.00 179.25 180.26 2kkx h SER 169 N 0.00 0.75 0.60 0.00 0.87 -1.98 -3.28 113.55 110.51 2kkx h SER 169 Ca 0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2kkx h SER 169 Cb 0.35 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2kkx h SER 169 CO 0.00 1.16 -0.26 2.30 -0.53 0.00 0.00 176.83 179.50 2kkx n ILE 170 N -4.20 0.00 -4.07 2.23 -5.35 -1.14 -4.77 119.36 102.06 2kkx n ILE 170 Ca -0.06 -0.02 -0.35 0.00 -0.27 0.00 0.00 62.75 62.05 2kkx n ILE 170 Cb 0.55 -0.03 -0.09 0.00 -1.74 0.00 0.00 39.64 38.34 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 -2.86 4.84 0.26 7.28 2.07 -1.19 -0.43 121.20 131.18 2kkx s ILE 171 Ca 0.17 -0.03 0.11 0.00 -1.41 0.00 0.00 60.65 59.48 2kkx s ILE 171 Cb 0.19 -3.13 -0.05 0.00 0.13 0.00 0.00 42.46 39.60 2kkx s ILE 171 CO 0.59 0.53 -0.18 0.68 -1.91 0.00 0.00 174.94 174.66 2kkx s VAL 172 N -0.28 2.25 0.50 4.00 -7.23 -0.59 -4.88 120.40 114.16 2kkx s VAL 172 Ca 0.08 -2.34 -0.20 0.00 -1.81 0.00 0.00 61.98 57.71 2kkx s VAL 172 Cb -0.12 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 2kkx s VAL 172 CO 0.01 -0.45 1.07 -0.54 -0.31 0.00 0.00 175.10 174.88 2kkx s LYS 173 N -3.55 3.69 0.56 4.82 1.02 -1.26 -4.16 119.74 120.85 2kkx s LYS 173 Ca 0.28 1.45 0.31 0.00 0.02 0.00 0.00 55.97 58.03 2kkx s LYS 173 Cb -0.03 -2.10 1.65 0.00 -0.52 0.00 0.00 37.83 36.82 2kkx s LYS 173 CO 0.13 -0.54 2.14 1.12 -0.92 0.00 0.00 175.35 177.28 2kkx h HIS 174 N 1.53 0.00 0.00 3.18 2.07 -1.85 -0.80 115.15 119.27 2kkx h HIS 174 Ca -0.50 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 56.93 2kkx h HIS 174 Cb 1.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.20 2kkx h HIS 174 CO 0.55 0.07 -0.47 1.05 -3.07 0.00 0.00 177.93 176.07 2kkx h GLU 175 N 0.00 0.00 -0.66 5.12 4.11 -1.92 -3.16 114.58 118.06 2kkx h GLU 175 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kkx h GLU 175 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kkx h GLU 175 CO 0.01 0.47 0.00 0.39 0.07 0.00 0.00 179.01 179.95 2kkx n GLU 176 N -3.91 3.32 -3.81 1.06 -0.58 -0.31 -4.79 120.64 111.61 2kkx n GLU 176 Ca -0.01 -2.10 -0.13 0.00 -0.42 0.00 0.00 57.16 54.50 2kkx n GLU 176 Cb 0.50 -1.87 -0.15 0.00 -0.57 0.00 0.00 31.44 29.35 2kkx n GLU 176 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kkx s ILE 178 N 0.58 1.13 0.33 0.00 -0.00 -0.65 -4.92 121.20 117.67 2kkx s ILE 178 Ca -0.05 -2.02 -0.29 0.00 -0.00 0.00 0.00 60.65 58.30 2kkx s ILE 178 Cb -0.07 -1.79 -0.10 0.00 -0.00 0.00 0.00 42.46 40.50 2kkx s ILE 178 CO -0.02 -0.73 1.30 -0.72 -0.00 0.00 0.00 174.94 174.76 2kkx s TYR 179 N -3.25 3.08 -0.05 1.37 -0.85 -1.26 -1.07 117.35 115.32 2kkx s TYR 179 Ca 0.15 1.43 0.05 0.00 -0.52 0.00 0.00 57.07 58.18 2kkx s TYR 179 Cb 0.02 -3.66 -0.02 0.00 0.38 0.00 0.00 41.96 38.68 2kkx s TYR 179 CO 0.00 -1.78 -0.18 0.34 -1.52 0.00 0.00 175.55 172.40 2kkx s ASP 180 N -0.50 3.66 0.10 -0.18 2.15 -0.23 -4.88 116.67 116.80 2kkx s ASP 180 Ca 0.49 -0.31 -0.18 0.00 0.43 0.00 0.00 52.55 52.97 2kkx s ASP 180 Cb -0.39 -0.78 -0.06 0.00 -0.30 0.00 0.00 42.92 41.39 2kkx s ASP 180 CO 0.52 0.31 1.60 -0.78 -0.17 0.00 0.00 175.17 176.65 2kkx h ASP 181 N 5.59 0.45 -0.09 -0.34 3.58 -1.95 0.87 116.42 124.52 2kkx h ASP 181 Ca -0.42 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 56.78 2kkx h ASP 181 Cb 1.15 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 2kkx h ASP 181 CO 0.49 0.56 0.00 0.74 -2.88 0.00 0.00 179.24 178.16 2kkx h THR 182 N 0.31 1.24 0.00 2.25 2.02 -1.95 -3.11 112.91 113.67 2kkx h THR 182 Ca 0.09 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 2kkx h THR 182 Cb 0.29 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2kkx h THR 182 CO 0.00 0.22 -0.61 0.03 0.37 0.00 0.00 175.52 175.53 2kkx h ARG 183 N -0.11 0.00 -0.27 6.66 2.47 -2.00 -3.48 114.38 117.65 2kkx h ARG 183 Ca 0.03 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 2kkx h ARG 183 Cb 0.34 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 2kkx h ARG 183 CO 0.00 0.39 -0.08 0.41 0.56 0.00 0.00 179.97 181.25 2kkx n GLY 184 N 1.23 0.57 3.62 0.04 0.00 0.26 -5.00 105.19 105.92 2kkx n GLY 184 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.93 -0.32 0.04 1.61 2.47 -0.96 -4.89 114.94 109.96 2kkx s ASN 185 Ca 0.00 -0.21 -0.30 0.00 0.42 0.00 0.00 52.86 52.76 2kkx s ASN 185 Cb 0.00 0.49 -0.09 0.00 -1.45 0.00 0.00 41.25 40.20 2kkx s ASN 185 CO 0.00 -0.86 1.97 0.49 -3.72 0.00 0.00 177.10 174.98 2kkx n PHE 186 N -0.37 2.52 -4.31 0.43 3.72 -1.26 -1.06 117.46 117.12 2kkx n PHE 186 Ca -0.08 -0.36 -0.16 0.00 -0.05 0.00 0.00 57.45 56.79 2kkx n PHE 186 Cb 0.62 -2.80 -0.10 0.00 -0.94 0.00 0.00 39.48 36.25 2kkx n PHE 186 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2kkx s ILE 187 N 4.38 0.58 0.56 4.37 -5.25 -0.23 -1.73 121.20 123.88 2kkx s ILE 187 Ca 0.89 -2.00 -0.18 0.00 -0.99 0.00 0.00 60.65 58.37 2kkx s ILE 187 Cb -0.44 -2.59 -0.05 0.00 2.95 0.00 0.00 42.46 42.33 2kkx s ILE 187 CO 0.42 -0.05 1.10 -0.63 -1.79 0.00 0.00 174.94 174.00 2kkx s ILE 188 N -3.74 3.36 0.96 8.37 -1.09 -1.26 -1.63 121.20 126.18 2kkx s ILE 188 Ca 0.37 0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 59.45 2kkx s ILE 188 Cb 0.08 -3.29 0.17 0.00 -1.58 0.00 0.00 42.46 37.83 2kkx s ILE 188 CO 0.13 -0.25 1.09 -0.54 -1.23 0.00 0.00 174.94 174.14 2kkx s LYS 189 N -3.52 0.69 -0.59 2.79 1.02 -0.36 -4.82 119.74 114.95 2kkx s LYS 189 Ca 0.70 1.05 0.06 0.00 0.02 0.00 0.00 55.97 57.79 2kkx s LYS 189 Cb -0.21 -1.73 0.22 0.00 -0.52 0.00 0.00 37.83 35.59 2kkx s LYS 189 CO 0.30 -2.70 0.58 0.41 -0.92 0.00 0.00 175.35 173.02 2kkx n GLY 190 N -0.28 3.90 0.00 -3.33 0.00 -1.26 -5.06 105.19 99.16 2kkx n GLY 190 Ca 0.07 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31