#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 0.16 -0.46 -1.46 7.50 -1.95 -3.17 115.11 115.74 2kkx h GLN 91 Ca 0.00 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.22 2kkx h GLN 91 Cb 0.00 -0.04 -0.06 0.00 0.05 0.00 0.00 27.48 27.43 2kkx h GLN 91 CO 0.00 0.11 0.10 1.05 -1.50 0.00 0.00 178.83 178.58 2kkx h GLU 92 N 0.17 0.23 -0.51 1.46 9.09 -2.00 -0.80 114.58 122.22 2kkx h GLU 92 Ca 0.08 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.37 2kkx h GLU 92 Cb 0.05 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2kkx h GLU 92 CO -0.08 0.15 -0.10 1.03 0.05 0.00 0.00 179.01 180.06 2kkx h SER 93 N 0.23 0.93 -0.38 3.06 0.87 -2.00 -2.76 113.55 113.50 2kkx h SER 93 Ca 0.23 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 2kkx h SER 93 Cb 0.29 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2kkx h SER 93 CO -0.29 1.05 -0.01 0.40 -0.53 0.00 0.00 176.83 177.44 2kkx h ILE 94 N 0.84 1.26 -0.60 2.23 2.04 -1.30 -2.30 117.51 119.68 2kkx h ILE 94 Ca 0.14 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.03 2kkx h ILE 94 Cb 0.64 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2kkx h ILE 94 CO 0.04 0.34 0.34 1.56 0.00 0.00 0.00 178.15 180.43 2kkx h GLN 95 N 0.49 0.63 -0.67 2.37 1.08 -1.05 0.53 115.11 118.49 2kkx h GLN 95 Ca 0.11 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2kkx h GLN 95 Cb 0.48 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 2kkx h GLN 95 CO 0.02 0.42 0.44 -0.91 -0.95 0.00 0.00 178.83 177.84 2kkx h ASN 96 N 0.65 0.74 -0.35 1.46 2.35 -1.36 -2.21 115.58 116.86 2kkx h ASN 96 Ca 0.26 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2kkx h ASN 96 Cb 0.12 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2kkx h ASN 96 CO -0.15 0.53 0.09 0.11 -1.65 0.00 0.00 177.43 176.36 2kkx h LYS 97 N 0.88 0.64 -0.40 0.81 6.56 -0.71 -2.48 116.57 121.88 2kkx h LYS 97 Ca 0.25 -0.12 -0.11 0.00 -1.06 0.00 0.00 60.65 59.61 2kkx h LYS 97 Cb -0.07 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 2kkx h LYS 97 CO -0.07 0.60 -0.21 0.82 -2.06 0.00 0.00 179.45 178.53 2kkx h ILE 98 N 0.63 1.27 -0.79 1.86 2.04 -0.48 0.10 117.51 122.14 2kkx h ILE 98 Ca 0.14 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2kkx h ILE 98 Cb 0.25 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2kkx h ILE 98 CO -0.00 0.44 0.30 -1.28 0.00 0.00 0.00 178.15 177.60 2kkx h SER 99 N 0.68 1.10 0.13 1.72 0.87 -1.09 -2.65 113.55 114.31 2kkx h SER 99 Ca 0.10 -0.18 -0.16 0.00 -1.23 0.00 0.00 61.79 60.31 2kkx h SER 99 Cb 0.71 -0.29 0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2kkx h SER 99 CO 0.05 0.99 -0.72 1.56 -0.53 0.00 0.00 176.83 178.18 2kkx h GLN 100 N 1.15 0.27 0.00 2.24 1.08 -1.23 -3.37 115.11 115.25 2kkx h GLN 100 Ca 0.26 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2kkx h GLN 100 Cb 0.24 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2kkx h GLN 100 CO -0.02 1.22 -0.12 0.00 -0.95 0.00 0.00 178.83 178.96 2kkx s LYS 102 N -3.00 1.39 0.15 0.00 -2.85 -1.00 -4.17 119.74 110.26 2kkx s LYS 102 Ca 0.13 0.31 -0.21 0.00 -1.00 0.00 0.00 55.97 55.21 2kkx s LYS 102 Cb 0.19 -1.87 0.06 0.00 -2.06 0.00 0.00 37.83 34.15 2kkx s LYS 102 CO 0.57 -2.03 0.54 -0.59 0.10 0.00 0.00 175.35 173.94 2kkx s PHE 103 N -3.30 -0.42 -0.62 1.78 -0.71 -0.47 -4.92 117.98 109.31 2kkx s PHE 103 Ca 0.63 0.17 -0.26 0.00 -1.04 0.00 0.00 56.93 56.43 2kkx s PHE 103 Cb -0.14 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.12 2kkx s PHE 103 CO 0.53 -0.82 1.85 -1.12 -1.34 0.00 0.00 175.22 174.32 2kkx s SER 104 N -2.77 5.29 -0.20 1.98 0.01 -1.26 -1.57 113.70 115.17 2kkx s SER 104 Ca 0.02 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.29 2kkx s SER 104 Cb -0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2kkx s SER 104 CO -0.12 -2.37 1.72 -0.69 0.41 0.00 0.00 173.24 172.19 2kkx s VAL 105 N 9.02 3.55 -0.35 3.43 1.01 -0.29 -4.96 120.40 131.80 2kkx s VAL 105 Ca 0.66 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.28 2kkx s VAL 105 Cb -0.12 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.79 2kkx s VAL 105 CO 0.20 -0.24 0.08 0.00 0.00 0.00 0.00 175.10 175.13 2kkx h PRO 107 N 7.71 0.93 0.00 0.00 0.13 -1.93 -0.70 132.00 138.14 2kkx h PRO 107 Ca -0.07 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2kkx h PRO 107 Cb 1.03 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kkx h PRO 107 CO 0.56 0.75 -0.05 1.05 -0.23 0.00 0.00 178.00 180.07 2kkx h GLU 108 N 0.91 0.00 0.10 0.86 -0.00 -1.95 -1.93 114.58 112.56 2kkx h GLU 108 Ca 0.22 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.27 2kkx h GLU 108 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.90 2kkx h GLU 108 CO -0.02 0.00 -1.67 -0.09 -0.00 0.00 0.00 179.01 177.23 2kkx h ARG 109 N 0.00 0.20 0.00 1.06 2.43 -1.82 -3.35 114.38 112.90 2kkx h ARG 109 Ca 0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2kkx h ARG 109 Cb 0.76 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2kkx h ARG 109 CO 0.00 1.16 0.00 1.28 -1.51 0.00 0.00 179.97 180.90 2kkx n LEU 110 N -3.83 0.32 -0.92 3.80 4.77 -0.32 -4.89 117.00 115.94 2kkx n LEU 110 Ca -0.30 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2kkx n LEU 110 Cb 0.92 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 2kkx n LEU 110 CO 0.37 -0.31 -0.11 0.00 -1.33 0.00 0.00 177.39 176.00 2kkx n GLN 111 N -1.84 -1.16 -4.15 3.23 1.13 -0.78 -5.00 117.38 108.81 2kkx n GLN 111 Ca 0.04 0.89 -0.35 0.00 -1.94 0.00 0.00 57.00 55.64 2kkx n GLN 111 Cb 0.24 -5.03 -0.09 0.00 0.11 0.00 0.00 30.24 25.47 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx s PRO 113 N -0.42 0.94 0.19 0.00 0.04 -1.26 -4.59 135.00 129.89 2kkx s PRO 113 Ca 0.09 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 2kkx s PRO 113 Cb -0.12 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.85 2kkx s PRO 113 CO 0.02 -2.52 1.72 -0.07 0.04 0.00 0.00 177.00 176.19 2kkx h LEU 114 N -1.76 0.01 -0.87 -3.56 3.38 -1.95 -1.89 115.31 108.66 2kkx h LEU 114 Ca -0.50 0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.67 2kkx h LEU 114 Cb 1.28 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.07 2kkx h LEU 114 CO 0.51 0.03 0.51 1.05 0.09 0.00 0.00 178.44 180.63 2kkx h GLU 115 N 0.24 0.79 0.00 1.13 4.11 -1.96 0.19 114.58 119.08 2kkx h GLU 115 Ca 0.25 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.59 2kkx h GLU 115 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kkx h GLU 115 CO -0.32 0.52 -0.21 0.00 0.07 0.00 0.00 179.01 179.08 2kkx h ALA 116 N 1.49 1.31 0.00 1.06 0.00 -1.71 -2.81 119.26 118.60 2kkx h ALA 116 Ca 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2kkx h ALA 116 Cb 0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2kkx h ALA 116 CO -0.27 0.26 -0.34 0.44 0.00 0.00 0.00 179.25 179.34 2kkx n ILE 117 N -3.78 1.35 -2.20 0.00 -5.35 -0.95 -4.83 119.36 103.61 2kkx n ILE 117 Ca -0.02 -1.88 -0.42 0.00 -0.27 0.00 0.00 62.75 60.17 2kkx n ILE 117 Cb 0.31 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.24 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 -2.03 4.31 -0.33 6.28 0.74 0.61 -4.34 119.66 124.91 2kkx s GLN 118 Ca 0.27 2.02 -0.29 0.00 0.05 0.00 0.00 55.36 57.42 2kkx s GLN 118 Cb 0.25 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.98 2kkx s GLN 118 CO -0.02 -0.48 1.67 0.00 -0.55 0.00 0.00 175.29 175.91 2kkx n PRO 120 N 8.20 0.51 -0.03 0.00 -0.04 -1.26 -0.51 135.00 141.87 2kkx n PRO 120 Ca 0.21 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2kkx n PRO 120 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.40 0.00 0.52 2.04 -1.92 -3.38 117.51 116.17 2kkx h ILE 121 Ca 0.00 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.11 2kkx h ILE 121 Cb 0.11 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2kkx h ILE 121 CO 0.00 0.42 -1.51 0.35 0.00 0.00 0.00 178.15 177.41 2kkx n THR 122 N -4.74 0.01 -3.58 -0.27 -2.24 -1.15 -5.00 114.28 97.31 2kkx n THR 122 Ca -0.08 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.22 2kkx n THR 122 Cb 0.35 0.44 0.06 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.92 -3.52 -3.86 3.22 7.99 0.34 -5.04 117.00 114.21 2kkx n LEU 123 Ca -0.00 -0.69 -0.09 0.00 -0.01 0.00 0.00 56.01 55.21 2kkx n LEU 123 Cb 0.46 -2.91 -0.06 0.00 -0.11 0.00 0.00 43.42 40.79 2kkx n LEU 123 CO 0.44 0.43 0.03 -1.83 -1.51 0.00 0.00 177.39 174.96 2kkx s GLU 124 N -5.80 1.12 -0.29 3.23 -1.05 -1.17 -4.98 118.70 109.76 2kkx s GLU 124 Ca 0.13 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 2kkx s GLU 124 Cb -0.06 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2kkx s GLU 124 CO 0.77 -0.42 1.17 -1.14 0.95 0.00 0.00 175.26 176.59 2kkx s GLN 125 N -3.91 4.05 0.78 -4.83 -0.44 -1.26 -0.68 119.66 113.37 2kkx s GLN 125 Ca 0.12 1.22 -0.11 0.00 -2.50 0.00 0.00 55.36 54.08 2kkx s GLN 125 Cb 0.03 -3.78 0.06 0.00 -1.64 0.00 0.00 33.01 27.68 2kkx s GLN 125 CO -0.04 -0.93 1.09 -1.25 0.50 0.00 0.00 175.29 174.65 2kkx s PRO 126 N 3.77 2.21 -0.06 1.67 0.04 -1.26 -4.95 135.00 136.42 2kkx s PRO 126 Ca 0.50 1.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 2kkx s PRO 126 Cb -0.15 -1.90 -0.28 0.00 0.04 0.00 0.00 34.50 32.21 2kkx s PRO 126 CO 0.17 -1.63 0.62 1.05 0.04 0.00 0.00 177.00 177.25 2kkx h GLU 127 N -1.12 0.28 -3.67 4.56 4.11 -1.95 -3.43 114.58 113.36 2kkx h GLU 127 Ca -0.45 -0.47 -0.22 0.00 0.07 0.00 0.00 59.36 58.29 2kkx h GLU 127 Cb 1.24 0.18 -0.28 0.00 0.50 0.00 0.00 28.75 30.39 2kkx h GLU 127 CO 0.53 1.15 -0.69 -1.59 0.07 0.00 0.00 179.01 178.48 2kkx s LYS 128 N -2.58 0.03 0.08 1.06 -2.85 -1.26 -1.14 119.74 113.07 2kkx s LYS 128 Ca -0.15 0.03 -0.26 0.00 -1.00 0.00 0.00 55.97 54.59 2kkx s LYS 128 Cb 0.06 0.01 0.07 0.00 -2.06 0.00 0.00 37.83 35.92 2kkx s LYS 128 CO 0.82 -0.00 0.66 0.20 0.10 0.00 0.00 175.35 177.13 2kkx s GLY 129 N -0.00 -0.59 0.23 0.59 0.00 -0.61 -1.53 107.32 105.42 2kkx s GLY 129 Ca -0.00 0.81 0.08 0.00 0.00 0.00 0.00 44.72 45.61 2kkx s GLY 129 CO 0.00 0.43 0.08 -0.26 0.00 0.00 0.00 173.10 173.35 2kkx s ILE 130 N -2.89 3.96 -0.21 0.90 -4.36 0.50 -1.37 121.20 117.72 2kkx s ILE 130 Ca -0.02 -1.54 -0.11 0.00 -0.26 0.00 0.00 60.65 58.72 2kkx s ILE 130 Cb -0.01 -3.09 -0.05 0.00 1.25 0.00 0.00 42.46 40.57 2kkx s ILE 130 CO -0.06 -0.28 0.17 -0.36 0.24 0.00 0.00 174.94 174.65 2kkx s PHE 131 N -2.06 3.38 -0.17 1.37 0.08 -1.22 -1.14 117.98 118.23 2kkx s PHE 131 Ca 0.31 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.70 2kkx s PHE 131 Cb -0.08 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 2kkx s PHE 131 CO 0.22 0.20 -0.20 0.08 -0.10 0.00 0.00 175.22 175.42 2kkx s VAL 132 N 0.64 2.14 -0.32 -0.44 1.01 -0.98 -0.94 120.40 121.51 2kkx s VAL 132 Ca 0.09 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2kkx s VAL 132 Cb -0.12 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 2kkx s VAL 132 CO 0.01 0.54 1.44 -1.59 0.00 0.00 0.00 175.10 175.50 2kkx s LYS 133 N 1.12 3.75 -1.22 2.72 -2.85 0.22 -2.31 119.74 121.16 2kkx s LYS 133 Ca 0.01 1.27 -0.21 0.00 -1.00 0.00 0.00 55.97 56.03 2kkx s LYS 133 Cb -0.14 -3.98 -0.02 0.00 -2.06 0.00 0.00 37.83 31.63 2kkx s LYS 133 CO -0.08 -1.34 1.85 1.21 0.10 0.00 0.00 175.35 177.09 2kkx s ASN 134 N 3.68 5.74 0.35 0.03 3.84 0.11 -4.73 114.94 123.96 2kkx s ASN 134 Ca 0.63 -1.95 0.11 0.00 0.21 0.00 0.00 52.86 51.86 2kkx s ASN 134 Cb -0.18 -2.59 0.63 0.00 -0.55 0.00 0.00 41.25 38.56 2kkx s ASN 134 CO 0.28 -2.32 1.78 -1.28 -2.79 0.00 0.00 177.10 172.76 2kkx h SER 135 N 8.92 0.04 -0.78 -4.21 0.87 -1.86 -0.93 113.55 115.60 2kkx h SER 135 Ca 0.30 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2kkx h SER 135 Cb 0.91 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 2kkx h SER 135 CO 1.32 0.45 0.41 -0.78 -0.53 0.00 0.00 176.83 177.69 2kkx h ASP 136 N 0.03 1.00 0.10 6.23 3.58 -1.98 -3.32 116.42 122.07 2kkx h ASP 136 Ca 0.00 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2kkx h ASP 136 Cb 0.74 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2kkx h ASP 136 CO 0.05 0.83 -0.05 1.23 -2.88 0.00 0.00 179.24 178.42 2kkx h GLY 137 N 1.15 -0.14 0.00 -0.78 0.00 -1.86 -3.47 103.07 97.96 2kkx h GLY 137 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2kkx h GLY 137 CO -0.04 -0.05 0.00 -1.26 0.00 0.00 0.00 176.54 175.19 2kkx n SER 138 N -2.79 0.00 0.00 0.19 2.88 -0.82 -4.97 113.62 108.11 2kkx n SER 138 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2kkx n SER 138 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 -3.71 -4.62 -3.46 2.03 -0.42 -4.95 116.55 101.42 2kkx n ASP 139 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2kkx n ASP 139 Cb 0.00 -1.83 -0.02 0.00 -0.72 0.00 0.00 41.12 38.55 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kkx s VAL 140 N -1.69 4.18 0.15 5.18 1.01 -0.95 -3.83 120.40 124.46 2kkx s VAL 140 Ca 0.00 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 2kkx s VAL 140 Cb 0.00 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2kkx s VAL 140 CO 0.00 -0.62 0.80 0.00 0.00 0.00 0.00 175.10 175.29 2kkx s THR 142 N -0.87 1.33 -0.23 0.00 2.01 -0.98 -4.18 115.64 112.72 2kkx s THR 142 Ca 0.38 -1.67 -0.20 0.00 0.31 0.00 0.00 61.69 60.50 2kkx s THR 142 Cb -0.23 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 2kkx s THR 142 CO 0.26 -0.38 0.60 -0.22 -0.69 0.00 0.00 174.62 174.19 2kkx s LEU 143 N -2.36 4.09 -0.08 4.42 2.96 -1.26 -2.32 118.68 124.13 2kkx s LEU 143 Ca 0.08 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 2kkx s LEU 143 Cb -0.06 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 2kkx s LEU 143 CO 0.03 -0.31 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.19 2kkx s PHE 144 N 2.22 2.61 0.30 5.38 0.08 -0.29 -3.46 117.98 124.82 2kkx s PHE 144 Ca 0.26 -0.66 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 2kkx s PHE 144 Cb -0.16 -1.69 -0.12 0.00 -0.57 0.00 0.00 43.02 40.49 2kkx s PHE 144 CO 0.09 -0.18 1.59 -3.47 -0.10 0.00 0.00 175.22 173.15 2kkx n ASP 145 N 3.10 3.89 -0.02 1.36 -0.08 -1.26 -0.37 116.55 123.16 2kkx n ASP 145 Ca -0.18 1.15 -0.09 0.00 -1.51 0.00 0.00 54.79 54.16 2kkx n ASP 145 Cb 0.52 -1.60 -0.03 0.00 2.34 0.00 0.00 41.12 42.35 2kkx n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kkx h ALA 146 N 4.64 0.07 -0.08 -1.67 0.00 -1.58 -0.37 119.26 120.28 2kkx h ALA 146 Ca -0.47 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 2kkx h ALA 146 Cb 1.22 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2kkx h ALA 146 CO 0.78 -0.51 -0.72 0.00 0.00 0.00 0.00 179.25 178.80 2kkx h ALA 147 N 1.09 0.62 -0.21 0.00 0.00 -1.91 -1.59 119.26 117.25 2kkx h ALA 147 Ca 0.08 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2kkx h ALA 147 Cb 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kkx h ALA 147 CO -0.18 0.76 -0.58 0.00 0.00 0.00 0.00 179.25 179.26 2kkx h ALA 148 N 0.96 0.58 0.04 0.00 0.00 -1.88 -0.77 119.26 118.20 2kkx h ALA 148 Ca -0.03 -0.53 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 2kkx h ALA 148 Cb 1.29 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kkx h ALA 148 CO 0.12 0.69 -1.05 0.35 0.00 0.00 0.00 179.25 179.36 2kkx h PHE 149 N 0.51 0.69 -0.02 0.00 3.57 -1.10 -2.63 116.94 117.96 2kkx h PHE 149 Ca 0.00 -0.41 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 2kkx h PHE 149 Cb 1.15 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kkx h PHE 149 CO 0.06 1.25 -0.12 1.03 -2.23 0.00 0.00 178.31 178.30 2kkx h SER 150 N 0.22 0.03 0.27 0.41 0.87 -1.22 -1.40 113.55 112.73 2kkx h SER 150 Ca -0.11 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2kkx h SER 150 Cb 1.71 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 2kkx h SER 150 CO 0.19 0.15 -0.13 -0.09 -0.53 0.00 0.00 176.83 176.42 2kkx h ARG 151 N 0.03 -0.35 -0.49 2.24 2.43 -1.04 -1.57 114.38 115.63 2kkx h ARG 151 Ca 0.01 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2kkx h ARG 151 Cb 0.23 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 2kkx h ARG 151 CO 0.02 -0.07 0.07 -0.07 -1.51 0.00 0.00 179.97 178.40 2kkx h LEU 152 N -0.61 -0.07 0.13 3.80 3.38 -1.01 0.18 115.31 121.12 2kkx h LEU 152 Ca -0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kkx h LEU 152 Cb 0.44 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kkx h LEU 152 CO 0.06 -0.01 -0.06 0.58 0.09 0.00 0.00 178.44 179.10 2kkx h VAL 153 N 0.19 0.89 0.00 1.22 2.07 -1.36 0.16 116.25 119.41 2kkx h VAL 153 Ca 0.25 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2kkx h VAL 153 Cb 0.35 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2kkx h VAL 153 CO -0.36 0.02 0.00 1.23 0.02 0.00 0.00 177.57 178.48 2kkx h GLY 154 N -0.21 0.00 1.25 2.17 0.00 -0.35 -1.52 103.07 104.41 2kkx h GLY 154 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2kkx h GLY 154 CO 0.03 0.00 -1.05 0.83 0.00 0.00 0.00 176.54 176.35 2kkx h GLU 155 N 0.00 0.00 0.00 4.80 4.39 -0.54 -3.48 114.58 119.75 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 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2kkx h GLU 155 CO 0.00 0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.50 2kkx n GLY 156 N 1.29 0.88 3.75 -3.84 0.00 -0.57 -5.09 105.19 101.61 2kkx n GLY 156 Ca -0.04 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 4.60 0.00 0.99 1.43 0.49 -5.01 118.68 121.19 2kkx s LEU 157 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2kkx s LEU 157 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2kkx s LEU 157 CO 0.00 0.07 0.00 -0.81 0.23 0.00 0.00 176.35 175.84 2kkx n PRO 158 N 1.35 -0.09 -1.76 1.29 -0.04 -1.26 -4.09 135.00 130.41 2kkx n PRO 158 Ca -0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 2kkx n PRO 158 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.81 2.88 0.25 0.54 5.65 -0.25 -4.88 115.29 118.67 2kkx s HIS 159 Ca 0.00 0.49 0.25 0.00 0.25 0.00 0.00 55.06 56.05 2kkx s HIS 159 Cb 0.00 -4.10 1.12 0.00 -1.18 0.00 0.00 32.58 28.42 2kkx s HIS 159 CO 0.00 -4.04 1.92 -1.00 -0.65 0.00 0.00 174.74 170.97 2kkx h PRO 160 N 6.26 0.00 0.01 2.88 0.13 -1.94 0.21 132.00 139.55 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 0.91 0.19 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.80 2kkx h LEU 161 N 0.00 -0.01 -0.11 1.56 3.38 -1.93 -3.42 115.31 114.78 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 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kkx h LEU 161 CO 0.03 0.23 -0.81 1.07 0.09 0.00 0.00 178.44 179.05 2kkx n THR 162 N -3.35 0.00 -1.87 0.22 5.66 -1.24 -4.97 114.28 108.72 2kkx n THR 162 Ca -0.00 -0.09 -0.19 0.00 -3.05 0.00 0.00 64.05 60.72 2kkx n THR 162 Cb 0.00 1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 69.76 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 -1.27 -1.38 -2.76 1.09 5.12 0.06 -4.99 116.66 112.53 2kkx n ARG 163 Ca 0.04 1.06 -0.34 0.00 -1.93 0.00 0.00 57.85 56.67 2kkx n ARG 163 Cb 0.30 -5.45 -0.06 0.00 -1.16 0.00 0.00 32.46 26.09 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 -4.13 4.27 0.08 5.56 0.41 -1.26 -4.57 118.70 119.06 2kkx s GLU 164 Ca 0.00 1.22 -0.31 0.00 -0.41 0.00 0.00 54.97 55.48 2kkx s GLU 164 Cb 0.00 -2.35 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 2kkx s GLU 164 CO 0.00 -0.00 1.86 -1.25 -0.49 0.00 0.00 175.26 175.38 2kkx s PRO 165 N -2.86 4.14 0.23 0.39 0.04 -1.26 -1.09 135.00 134.58 2kkx s PRO 165 Ca 0.59 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.90 2kkx s PRO 165 Cb -0.13 -3.82 -0.10 0.00 0.04 0.00 0.00 34.50 30.49 2kkx s PRO 165 CO 0.17 -0.88 1.43 0.42 0.04 0.00 0.00 177.00 178.19 2kkx s ILE 166 N 3.42 2.75 0.07 0.56 1.01 -1.26 -4.88 121.20 122.86 2kkx s ILE 166 Ca 0.83 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 62.07 2kkx s ILE 166 Cb -0.44 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2kkx s ILE 166 CO 0.38 0.09 0.02 0.28 0.00 0.00 0.00 174.94 175.70 2kkx s THR 167 N 0.16 0.19 0.48 2.92 -1.32 -1.26 -4.83 115.64 111.99 2kkx s THR 167 Ca 0.60 -1.72 0.31 0.00 -1.21 0.00 0.00 61.69 59.67 2kkx s THR 167 Cb -0.41 -1.55 0.34 0.00 -1.51 0.00 0.00 72.50 69.37 2kkx s THR 167 CO 0.41 -0.89 2.17 0.00 -2.21 0.00 0.00 174.62 174.10 2kkx h ALA 168 N 3.05 1.30 -0.46 11.08 0.00 -1.91 -2.96 119.26 129.36 2kkx h ALA 168 Ca -0.34 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2kkx h ALA 168 Cb 1.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2kkx h ALA 168 CO 0.64 0.08 -0.13 1.03 0.00 0.00 0.00 179.25 180.86 2kkx h SER 169 N 0.00 0.91 0.65 0.00 0.87 -2.00 -3.23 113.55 110.75 2kkx h SER 169 Ca -0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2kkx h SER 169 Cb 0.20 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kkx h SER 169 CO 0.01 1.07 -0.22 2.30 -0.53 0.00 0.00 176.83 179.46 2kkx n ILE 170 N -4.23 0.00 -3.68 2.23 -5.35 -1.12 -4.80 119.36 102.42 2kkx n ILE 170 Ca -0.00 -0.02 -0.36 0.00 -0.27 0.00 0.00 62.75 62.10 2kkx n ILE 170 Cb 0.40 -0.11 -0.07 0.00 -1.74 0.00 0.00 39.64 38.12 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 -2.87 5.36 0.28 7.28 2.07 -1.22 -0.61 121.20 131.49 2kkx s ILE 171 Ca 0.17 0.38 0.03 0.00 -1.41 0.00 0.00 60.65 59.82 2kkx s ILE 171 Cb 0.19 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 39.21 2kkx s ILE 171 CO 0.58 0.48 0.18 0.68 -1.91 0.00 0.00 174.94 174.95 2kkx s VAL 172 N -0.10 0.15 0.32 4.00 -7.23 -0.11 -4.95 120.40 112.48 2kkx s VAL 172 Ca 0.14 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2kkx s VAL 172 Cb -0.13 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 2kkx s VAL 172 CO 0.03 0.00 0.38 -0.54 -0.31 0.00 0.00 175.10 174.66 2kkx s LYS 173 N -3.83 2.99 0.39 4.82 1.02 -1.26 -3.37 119.74 120.50 2kkx s LYS 173 Ca 0.38 -1.10 0.28 0.00 0.02 0.00 0.00 55.97 55.54 2kkx s LYS 173 Cb 0.05 -2.68 0.97 0.00 -0.52 0.00 0.00 37.83 35.64 2kkx s LYS 173 CO 0.18 0.12 1.80 1.12 -0.92 0.00 0.00 175.35 177.66 2kkx h HIS 174 N 1.08 0.00 0.06 3.18 2.07 -1.83 -0.80 115.15 118.90 2kkx h HIS 174 Ca -0.46 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 56.80 2kkx h HIS 174 Cb 1.25 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.21 2kkx h HIS 174 CO 0.47 0.00 -1.29 1.49 -3.07 0.00 0.00 177.93 175.53 2kkx h GLU 175 N 0.00 0.13 0.00 5.12 4.22 -1.95 -3.37 114.58 118.73 2kkx h GLU 175 Ca 0.00 -0.23 -0.19 0.00 0.08 0.00 0.00 59.36 59.02 2kkx h GLU 175 Cb 0.60 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2kkx h GLU 175 CO 0.00 1.02 -0.90 1.49 -2.18 0.00 0.00 179.01 178.44 2kkx h GLU 176 N 0.04 0.00 -6.38 1.92 4.81 -1.75 -3.45 114.58 109.78 2kkx h GLU 176 Ca -0.14 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.48 2kkx h GLU 176 Cb 1.92 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 31.17 2kkx h GLU 176 CO 0.15 0.90 -0.70 0.00 -0.73 0.00 0.00 179.01 178.63 2kkx s ILE 178 N -1.83 0.62 0.06 0.00 -0.00 -0.45 -4.67 121.20 114.94 2kkx s ILE 178 Ca 0.27 -1.97 -0.31 0.00 -0.00 0.00 0.00 60.65 58.64 2kkx s ILE 178 Cb -0.08 -2.09 -0.07 0.00 -0.00 0.00 0.00 42.46 40.22 2kkx s ILE 178 CO 0.17 -0.50 1.42 -0.72 -0.00 0.00 0.00 174.94 175.31 2kkx s TYR 179 N -3.69 2.99 -0.09 1.37 1.13 -1.26 -1.34 117.35 116.46 2kkx s TYR 179 Ca 0.23 0.83 -0.02 0.00 -1.41 0.00 0.00 57.07 56.70 2kkx s TYR 179 Cb 0.06 -3.70 -0.03 0.00 -1.10 0.00 0.00 41.96 37.18 2kkx s TYR 179 CO 0.03 -2.57 -0.01 0.34 -2.51 0.00 0.00 175.55 170.83 2kkx s ASP 180 N 1.56 5.13 -0.09 -0.18 -1.08 -0.48 -4.89 116.67 116.64 2kkx s ASP 180 Ca 0.65 0.10 -0.26 0.00 -0.52 0.00 0.00 52.55 52.52 2kkx s ASP 180 Cb -0.35 -1.45 -0.22 0.00 -1.46 0.00 0.00 42.92 39.44 2kkx s ASP 180 CO 0.29 0.36 0.90 -0.78 0.52 0.00 0.00 175.17 176.46 2kkx h ASP 181 N 5.30 -0.02 0.25 -0.34 3.58 -1.95 -1.17 116.42 122.06 2kkx h ASP 181 Ca -0.49 -0.74 -0.14 0.00 0.42 0.00 0.00 57.03 56.08 2kkx h ASP 181 Cb 1.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2kkx h ASP 181 CO 0.55 0.76 -0.54 0.00 -2.88 0.00 0.00 179.24 177.13 2kkx h THR 182 N -0.83 1.35 0.00 2.25 1.03 -1.96 -2.36 112.91 112.39 2kkx h THR 182 Ca -0.00 -1.83 -0.14 0.00 -0.01 0.00 0.00 66.41 64.43 2kkx h THR 182 Cb 0.76 1.87 -0.02 0.00 -1.07 0.00 0.00 68.15 69.68 2kkx h THR 182 CO 0.00 0.55 -0.65 0.03 -0.01 0.00 0.00 175.52 175.44 2kkx h ARG 183 N 0.25 0.00 -0.48 0.00 2.47 -2.01 -3.48 114.38 111.13 2kkx h ARG 183 Ca 0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2kkx h ARG 183 Cb 1.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.33 2kkx h ARG 183 CO 0.09 0.65 -0.12 0.41 0.56 0.00 0.00 179.97 181.56 2kkx n GLY 184 N 0.79 0.52 3.60 0.04 0.00 -0.52 -4.99 105.19 104.63 2kkx n GLY 184 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.86 -0.23 0.17 1.61 3.84 -0.77 -4.97 114.94 111.73 2kkx s ASN 185 Ca 0.00 -0.11 -0.32 0.00 0.21 0.00 0.00 52.86 52.64 2kkx s ASN 185 Cb 0.00 0.32 -0.11 0.00 -0.55 0.00 0.00 41.25 40.91 2kkx s ASN 185 CO 0.00 -0.55 1.78 0.49 -2.79 0.00 0.00 177.10 176.03 2kkx n PHE 186 N -0.30 2.70 -4.32 0.43 3.01 -1.26 -1.38 117.46 116.35 2kkx n PHE 186 Ca -0.06 -0.06 -0.21 0.00 1.01 0.00 0.00 57.45 58.14 2kkx n PHE 186 Cb 0.61 -2.70 -0.08 0.00 -0.01 0.00 0.00 39.48 37.30 2kkx n PHE 186 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 2kkx n ILE 187 N 4.33 0.00 -2.03 4.37 -5.35 -0.45 -0.17 119.36 120.06 2kkx n ILE 187 Ca 0.17 -2.46 -0.34 0.00 -0.27 0.00 0.00 62.75 59.85 2kkx n ILE 187 Cb 0.36 1.18 0.02 0.00 -1.74 0.00 0.00 39.64 39.47 2kkx n ILE 187 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2kkx s ILE 188 N -3.34 3.34 -0.38 7.28 -1.09 -1.25 -1.34 121.20 124.43 2kkx s ILE 188 Ca 0.38 0.71 -0.27 0.00 -2.23 0.00 0.00 60.65 59.24 2kkx s ILE 188 Cb 0.02 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.60 2kkx s ILE 188 CO 0.27 -0.30 2.34 0.29 -1.23 0.00 0.00 174.94 176.30 2kkx n LYS 189 N -1.88 1.43 0.00 2.79 5.02 -0.84 -4.75 118.16 119.93 2kkx n LYS 189 Ca 0.10 0.22 0.02 0.00 -2.02 0.00 0.00 58.31 56.63 2kkx n LYS 189 Cb 0.52 -3.35 0.01 0.00 -0.02 0.00 0.00 35.03 32.19 2kkx n LYS 189 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kkx n GLY 190 N 5.92 -1.17 0.06 0.72 0.00 -1.26 -5.09 105.19 104.37 2kkx n GLY 190 Ca 0.34 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.43 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31