#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 -0.08 -0.02 1.43 7.50 -1.97 -0.14 115.11 121.84 2kkx h GLN 91 Ca 0.00 0.01 -0.02 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 27.54 2kkx h GLN 91 CO 0.00 -0.05 -0.10 1.05 -1.50 0.00 0.00 178.83 178.23 2kkx h GLU 92 N -0.08 0.03 -0.05 1.46 -0.00 -1.98 -1.11 114.58 112.84 2kkx h GLU 92 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 2kkx h GLU 92 Cb 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 2kkx h GLU 92 CO -0.00 0.13 -0.11 0.77 -0.00 0.00 0.00 179.01 179.80 2kkx h SER 93 N 0.03 0.19 0.03 3.06 0.02 -1.78 -1.82 113.55 113.28 2kkx h SER 93 Ca 0.01 -0.57 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2kkx h SER 93 Cb 0.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2kkx h SER 93 CO 0.01 0.73 -0.01 0.40 -1.14 0.00 0.00 176.83 176.82 2kkx h ILE 94 N -0.34 0.97 0.00 3.27 2.04 -0.66 -1.74 117.51 121.06 2kkx h ILE 94 Ca 0.00 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2kkx h ILE 94 Cb 0.70 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2kkx h ILE 94 CO 0.03 0.00 -0.40 1.56 0.00 0.00 0.00 178.15 179.34 2kkx h GLN 95 N -0.04 0.00 -0.49 2.37 4.20 -1.30 0.04 115.11 119.89 2kkx h GLN 95 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kkx h GLN 95 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2kkx h GLN 95 CO 0.01 0.40 0.23 -0.91 -0.67 0.00 0.00 178.83 177.89 2kkx h ASN 96 N 0.00 0.64 0.08 1.46 2.35 -1.01 -1.97 115.58 117.12 2kkx h ASN 96 Ca -0.00 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 2kkx h ASN 96 Cb 0.78 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2kkx h ASN 96 CO 0.05 0.60 -0.29 0.11 -1.65 0.00 0.00 177.43 176.25 2kkx h LYS 97 N 0.65 0.33 -0.40 0.81 6.56 -0.40 -2.40 116.57 121.72 2kkx h LYS 97 Ca 0.17 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2kkx h LYS 97 Cb 0.12 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2kkx h LYS 97 CO -0.02 0.60 0.16 0.82 -2.06 0.00 0.00 179.45 178.95 2kkx h ILE 98 N 0.29 1.19 0.00 1.86 2.04 -0.84 0.71 117.51 122.78 2kkx h ILE 98 Ca 0.04 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 2kkx h ILE 98 Cb 0.66 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2kkx h ILE 98 CO 0.05 0.22 -0.27 0.28 0.00 0.00 0.00 178.15 178.43 2kkx h SER 99 N 0.50 0.00 0.10 1.72 0.02 -1.16 -2.02 113.55 112.71 2kkx h SER 99 Ca 0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2kkx h SER 99 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2kkx h SER 99 CO -0.01 0.27 -0.56 1.56 -1.14 0.00 0.00 176.83 176.95 2kkx h GLN 100 N 0.00 0.21 0.00 3.45 1.08 -1.21 -3.39 115.11 115.25 2kkx h GLN 100 Ca -0.00 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2kkx h GLN 100 Cb 0.48 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2kkx h GLN 100 CO 0.03 1.17 0.00 0.00 -0.95 0.00 0.00 178.83 179.08 2kkx s LYS 102 N -3.24 -0.56 0.09 0.00 -2.85 -0.77 -3.43 119.74 108.98 2kkx s LYS 102 Ca 0.07 0.41 -0.21 0.00 -1.00 0.00 0.00 55.97 55.24 2kkx s LYS 102 Cb 0.06 -1.63 0.05 0.00 -2.06 0.00 0.00 37.83 34.25 2kkx s LYS 102 CO 0.65 -3.38 0.51 -0.59 0.10 0.00 0.00 175.35 172.64 2kkx s PHE 103 N -2.81 -0.39 -0.56 1.78 -0.71 -0.45 -4.89 117.98 109.94 2kkx s PHE 103 Ca 0.68 0.30 -0.27 0.00 -1.04 0.00 0.00 56.93 56.60 2kkx s PHE 103 Cb -0.18 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2kkx s PHE 103 CO 0.59 -0.70 1.80 -1.12 -1.34 0.00 0.00 175.22 174.45 2kkx s SER 104 N -2.33 5.46 -0.73 1.98 0.01 -1.26 -1.51 113.70 115.31 2kkx s SER 104 Ca -0.02 0.48 -0.26 0.00 1.31 0.00 0.00 55.95 57.46 2kkx s SER 104 Cb -0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2kkx s SER 104 CO -0.06 -2.20 1.56 -0.69 0.41 0.00 0.00 173.24 172.25 2kkx s VAL 105 N 8.42 3.58 -0.47 3.43 1.01 -0.33 -4.94 120.40 131.10 2kkx s VAL 105 Ca 0.68 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.69 2kkx s VAL 105 Cb -0.14 -4.50 0.09 0.00 0.00 0.00 0.00 36.38 31.83 2kkx s VAL 105 CO 0.23 -1.45 0.36 0.00 0.00 0.00 0.00 175.10 174.24 2kkx h PRO 107 N 8.61 0.00 -0.21 0.00 0.13 -1.92 -1.23 132.00 137.39 2kkx h PRO 107 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 2kkx h PRO 107 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2kkx h PRO 107 CO 0.86 0.01 -0.23 1.05 -0.23 0.00 0.00 178.00 179.46 2kkx h GLU 108 N 0.00 0.38 0.05 0.86 4.11 -1.93 -1.43 114.58 116.62 2kkx h GLU 108 Ca -0.00 -0.13 -0.25 0.00 0.07 0.00 0.00 59.36 59.05 2kkx h GLU 108 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kkx h GLU 108 CO 0.00 0.59 -1.33 -0.09 0.07 0.00 0.00 179.01 178.25 2kkx h ARG 109 N 0.34 0.11 0.00 1.06 2.43 -1.77 -3.35 114.38 113.20 2kkx h ARG 109 Ca 0.05 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 2kkx h ARG 109 Cb 0.60 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2kkx h ARG 109 CO 0.04 1.09 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.39 2kkx h LEU 110 N -0.63 0.00 0.35 3.80 3.38 -1.31 -3.47 115.31 117.44 2kkx h LEU 110 Ca -0.32 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 2kkx h LEU 110 Cb 1.53 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.23 2kkx h LEU 110 CO -0.07 0.14 -0.12 0.00 0.09 0.00 0.00 178.44 178.48 2kkx n GLN 111 N -3.36 -1.79 -3.29 1.13 1.13 -0.54 -4.98 117.38 105.68 2kkx n GLN 111 Ca -0.00 0.66 -0.38 0.00 -1.94 0.00 0.00 57.00 55.34 2kkx n GLN 111 Cb 0.34 -4.95 -0.06 0.00 0.11 0.00 0.00 30.24 25.68 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx n PRO 113 N 2.94 0.76 -0.20 0.00 -0.04 -1.26 -4.78 135.00 132.41 2kkx n PRO 113 Ca -0.08 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2kkx n PRO 113 Cb 0.51 -1.96 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 2kkx n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkx h LEU 114 N 0.46 0.01 -1.32 1.53 3.38 -1.97 -1.03 115.31 116.37 2kkx h LEU 114 Ca -0.47 0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2kkx h LEU 114 Cb 1.38 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 2kkx h LEU 114 CO 0.50 0.01 0.45 1.05 0.09 0.00 0.00 178.44 180.54 2kkx h GLU 115 N 0.26 0.91 -0.05 1.13 4.11 -1.96 0.20 114.58 119.18 2kkx h GLU 115 Ca 0.32 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 59.58 2kkx h GLU 115 Cb 0.49 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kkx h GLU 115 CO -0.41 0.60 -0.51 0.00 0.07 0.00 0.00 179.01 178.76 2kkx h ALA 116 N 1.57 1.06 -0.26 1.06 0.00 -1.54 -2.87 119.26 118.28 2kkx h ALA 116 Ca 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kkx h ALA 116 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2kkx h ALA 116 CO -0.05 0.65 0.00 0.44 0.00 0.00 0.00 179.25 180.29 2kkx n ILE 117 N -3.94 0.53 -1.69 0.00 -5.35 -1.05 -4.86 119.36 103.00 2kkx n ILE 117 Ca -0.02 -0.77 -0.44 0.00 -0.27 0.00 0.00 62.75 61.26 2kkx n ILE 117 Cb 0.54 0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 39.28 2kkx n ILE 117 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2kkx n GLN 118 N 0.84 2.52 -1.80 6.28 7.27 0.67 -4.33 117.38 128.82 2kkx n GLN 118 Ca 0.12 0.91 -0.43 0.00 0.07 0.00 0.00 57.00 57.68 2kkx n GLN 118 Cb 0.43 -2.74 -0.03 0.00 2.41 0.00 0.00 30.24 30.31 2kkx n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kkx n PRO 120 N 8.55 0.48 -0.07 0.00 -0.04 -1.26 -0.69 135.00 141.98 2kkx n PRO 120 Ca 0.26 0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2kkx n PRO 120 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.15 0.00 0.52 2.04 -1.92 -3.39 117.51 115.91 2kkx h ILE 121 Ca 0.00 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.96 2kkx h ILE 121 Cb 0.11 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2kkx h ILE 121 CO 0.00 0.39 -0.83 0.35 0.00 0.00 0.00 178.15 178.06 2kkx n THR 122 N -4.65 0.01 -3.58 -0.27 -2.24 -1.14 -4.99 114.28 97.42 2kkx n THR 122 Ca -0.09 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 2kkx n THR 122 Cb 0.35 0.71 0.05 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.52 -3.64 -3.54 3.22 7.99 0.14 -5.03 117.00 114.62 2kkx n LEU 123 Ca 0.04 -0.80 -0.11 0.00 -0.01 0.00 0.00 56.01 55.13 2kkx n LEU 123 Cb 0.34 -2.78 -0.03 0.00 -0.11 0.00 0.00 43.42 40.83 2kkx n LEU 123 CO 0.40 0.36 0.30 -1.83 -1.51 0.00 0.00 177.39 175.11 2kkx s GLU 124 N -5.61 1.21 -0.14 3.23 -1.05 -1.19 -5.00 118.70 110.16 2kkx s GLU 124 Ca 0.16 -0.61 -0.29 0.00 -0.15 0.00 0.00 54.97 54.07 2kkx s GLU 124 Cb -0.04 0.54 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 2kkx s GLU 124 CO 0.80 -0.51 1.33 -1.14 0.95 0.00 0.00 175.26 176.68 2kkx s GLN 125 N -3.79 4.23 0.64 -4.83 -0.44 -1.26 -0.45 119.66 113.75 2kkx s GLN 125 Ca 0.03 1.76 -0.13 0.00 -2.50 0.00 0.00 55.36 54.52 2kkx s GLN 125 Cb 0.00 -3.79 -0.02 0.00 -1.64 0.00 0.00 33.01 27.56 2kkx s GLN 125 CO -0.11 -0.72 1.05 -1.25 0.50 0.00 0.00 175.29 174.75 2kkx s PRO 126 N 3.52 3.24 0.04 1.67 0.04 -1.26 -4.90 135.00 137.35 2kkx s PRO 126 Ca 0.58 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 2kkx s PRO 126 Cb -0.24 -2.03 -0.30 0.00 0.04 0.00 0.00 34.50 31.97 2kkx s PRO 126 CO 0.18 -0.86 1.01 1.05 0.04 0.00 0.00 177.00 178.42 2kkx h GLU 127 N -0.17 0.35 -3.43 4.56 4.11 -1.95 -3.42 114.58 114.62 2kkx h GLU 127 Ca -0.45 -0.60 -0.15 0.00 0.07 0.00 0.00 59.36 58.24 2kkx h GLU 127 Cb 1.21 0.22 -0.21 0.00 0.50 0.00 0.00 28.75 30.47 2kkx h GLU 127 CO 0.58 1.27 -0.47 -1.59 0.07 0.00 0.00 179.01 178.87 2kkx s LYS 128 N -2.63 0.46 0.06 1.06 -2.85 -1.26 -1.19 119.74 113.40 2kkx s LYS 128 Ca -0.07 -0.28 -0.26 0.00 -1.00 0.00 0.00 55.97 54.35 2kkx s LYS 128 Cb 0.06 0.20 0.09 0.00 -2.06 0.00 0.00 37.83 36.11 2kkx s LYS 128 CO 0.89 -0.11 0.76 0.20 0.10 0.00 0.00 175.35 177.20 2kkx s GLY 129 N -1.16 -0.53 0.36 0.59 0.00 -0.57 -1.56 107.32 104.46 2kkx s GLY 129 Ca -0.12 0.80 0.08 0.00 0.00 0.00 0.00 44.72 45.48 2kkx s GLY 129 CO 0.02 0.27 0.10 -0.26 0.00 0.00 0.00 173.10 173.23 2kkx s ILE 130 N -3.35 2.66 -0.20 0.90 -4.36 0.26 -1.34 121.20 115.76 2kkx s ILE 130 Ca 0.03 -1.80 -0.06 0.00 -0.26 0.00 0.00 60.65 58.56 2kkx s ILE 130 Cb -0.01 -2.92 -0.03 0.00 1.25 0.00 0.00 42.46 40.75 2kkx s ILE 130 CO -0.10 -0.13 0.04 -0.36 0.24 0.00 0.00 174.94 174.62 2kkx s PHE 131 N -2.51 3.13 -0.16 1.37 0.08 -1.25 -1.53 117.98 117.10 2kkx s PHE 131 Ca 0.38 -0.22 -0.00 0.00 0.12 0.00 0.00 56.93 57.20 2kkx s PHE 131 Cb 0.00 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.34 2kkx s PHE 131 CO 0.21 -0.10 -0.14 0.08 -0.10 0.00 0.00 175.22 175.17 2kkx s VAL 132 N 0.87 2.75 -0.56 -0.44 1.01 -1.01 -1.37 120.40 121.65 2kkx s VAL 132 Ca 0.03 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 2kkx s VAL 132 Cb -0.14 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2kkx s VAL 132 CO 0.02 0.50 1.50 -1.59 0.00 0.00 0.00 175.10 175.54 2kkx s LYS 133 N 0.91 3.20 -1.34 2.72 -2.85 0.33 -2.14 119.74 120.56 2kkx s LYS 133 Ca -0.03 0.51 -0.16 0.00 -1.00 0.00 0.00 55.97 55.30 2kkx s LYS 133 Cb -0.15 -4.17 0.01 0.00 -2.06 0.00 0.00 37.83 31.46 2kkx s LYS 133 CO -0.01 -2.06 2.12 0.09 0.10 0.00 0.00 175.35 175.59 2kkx n ASN 134 N 10.08 3.81 0.20 0.03 3.02 -0.00 -4.72 115.26 127.68 2kkx n ASN 134 Ca 0.14 -2.83 0.06 0.00 -0.03 0.00 0.00 54.58 51.92 2kkx n ASN 134 Cb 0.49 -1.60 0.42 0.00 -0.61 0.00 0.00 39.78 38.49 2kkx n ASN 134 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2kkx h SER 135 N 6.53 0.00 -0.82 6.41 0.87 -1.86 -1.69 113.55 122.98 2kkx h SER 135 Ca 0.53 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.05 2kkx h SER 135 Cb 0.68 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 2kkx h SER 135 CO 1.83 0.32 0.37 -0.78 -0.53 0.00 0.00 176.83 178.04 2kkx h ASP 136 N 0.00 1.10 0.29 6.23 3.58 -1.98 -3.26 116.42 122.39 2kkx h ASP 136 Ca -0.00 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2kkx h ASP 136 Cb 0.72 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2kkx h ASP 136 CO 0.04 0.94 -0.14 1.23 -2.88 0.00 0.00 179.24 178.44 2kkx h GLY 137 N 1.19 -0.41 -2.41 -0.78 0.00 -1.74 -3.46 103.07 95.46 2kkx h GLY 137 Ca 0.28 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 2kkx h GLY 137 CO -0.03 -0.15 -0.05 -1.26 0.00 0.00 0.00 176.54 175.05 2kkx n SER 138 N -3.93 -0.23 -1.92 0.19 2.88 -0.98 -4.95 113.62 104.68 2kkx n SER 138 Ca -0.05 -0.85 -0.18 0.00 -1.33 0.00 0.00 58.87 56.46 2kkx n SER 138 Cb 0.16 0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.16 -5.32 -4.60 -3.46 2.03 -0.73 -4.94 116.55 99.37 2kkx n ASP 139 Ca -0.04 0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 2kkx n ASP 139 Cb 0.47 -4.40 -0.02 0.00 -0.72 0.00 0.00 41.12 36.45 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 -2.86 3.93 -0.25 5.18 1.01 -0.91 -4.10 120.40 122.40 2kkx s VAL 140 Ca 0.00 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 62.65 2kkx s VAL 140 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2kkx s VAL 140 CO 0.00 -0.87 0.90 0.00 0.00 0.00 0.00 175.10 175.13 2kkx s THR 142 N 2.99 2.35 -0.59 0.00 2.01 -0.91 -4.45 115.64 117.04 2kkx s THR 142 Ca 0.38 -1.38 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 2kkx s THR 142 Cb -0.15 -1.95 0.05 0.00 0.01 0.00 0.00 72.50 70.46 2kkx s THR 142 CO 0.08 0.32 0.96 -0.22 -0.69 0.00 0.00 174.62 175.07 2kkx s LEU 143 N -1.41 4.15 -0.16 4.42 2.96 -1.26 -2.41 118.68 124.97 2kkx s LEU 143 Ca 0.13 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2kkx s LEU 143 Cb -0.10 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2kkx s LEU 143 CO 0.04 -1.31 0.08 -0.36 -1.32 0.00 0.00 176.35 173.47 2kkx s PHE 144 N 4.05 3.33 0.25 5.38 0.08 -0.58 -3.79 117.98 126.69 2kkx s PHE 144 Ca 0.28 0.22 -0.31 0.00 0.12 0.00 0.00 56.93 57.24 2kkx s PHE 144 Cb -0.14 -2.02 -0.13 0.00 -0.57 0.00 0.00 43.02 40.16 2kkx s PHE 144 CO 0.16 0.34 1.50 -3.47 -0.10 0.00 0.00 175.22 173.65 2kkx n ASP 145 N 3.02 3.19 -0.21 1.36 2.03 -1.26 -0.58 116.55 124.10 2kkx n ASP 145 Ca -0.17 1.13 -0.02 0.00 0.52 0.00 0.00 54.79 56.25 2kkx n ASP 145 Cb 0.53 -1.49 0.09 0.00 -0.72 0.00 0.00 41.12 39.53 2kkx n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkx h ALA 146 N 4.69 0.81 0.00 -1.67 0.00 -1.59 -0.62 119.26 120.88 2kkx h ALA 146 Ca -0.45 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2kkx h ALA 146 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kkx h ALA 146 CO 0.79 -0.03 -0.41 0.00 0.00 0.00 0.00 179.25 179.61 2kkx h ALA 147 N 1.34 0.76 0.16 0.00 0.00 -1.91 -2.54 119.26 117.07 2kkx h ALA 147 Ca 0.28 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 2kkx h ALA 147 Cb 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kkx h ALA 147 CO -0.19 0.46 -1.31 0.00 0.00 0.00 0.00 179.25 178.21 2kkx h ALA 148 N 1.64 -0.03 -0.10 0.00 0.00 -1.78 -0.94 119.26 118.05 2kkx h ALA 148 Ca -0.01 -0.80 -0.23 0.00 0.00 0.00 0.00 54.91 53.86 2kkx h ALA 148 Cb 1.28 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2kkx h ALA 148 CO 0.05 0.71 -0.86 0.35 0.00 0.00 0.00 179.25 179.50 2kkx h PHE 149 N 0.23 1.02 -0.45 0.00 3.57 -1.22 -2.67 116.94 117.42 2kkx h PHE 149 Ca -0.20 -0.49 -0.02 0.00 3.53 0.00 0.00 57.97 60.79 2kkx h PHE 149 Cb 1.98 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.56 2kkx h PHE 149 CO 0.11 1.32 0.21 1.03 -2.23 0.00 0.00 178.31 178.75 2kkx h SER 150 N 0.47 0.57 0.06 0.41 0.87 -1.53 -2.17 113.55 112.23 2kkx h SER 150 Ca -0.08 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2kkx h SER 150 Cb 1.50 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2kkx h SER 150 CO 0.17 0.50 -0.14 -0.09 -0.53 0.00 0.00 176.83 176.75 2kkx h ARG 151 N 0.64 -0.25 -0.86 2.24 9.65 -1.05 -1.67 114.38 123.07 2kkx h ARG 151 Ca 0.16 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.16 2kkx h ARG 151 Cb 0.09 0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 28.65 2kkx h ARG 151 CO -0.02 -0.16 0.50 -0.07 2.80 0.00 0.00 179.97 183.02 2kkx h LEU 152 N -0.26 0.71 -0.38 3.80 3.38 -1.05 0.02 115.31 121.54 2kkx h LEU 152 Ca 0.03 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2kkx h LEU 152 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kkx h LEU 152 CO -0.09 0.39 -0.26 0.58 0.09 0.00 0.00 178.44 179.15 2kkx h VAL 153 N 0.82 1.28 0.00 1.22 2.07 -1.30 0.61 116.25 120.95 2kkx h VAL 153 Ca 0.42 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 2kkx h VAL 153 Cb 0.41 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2kkx h VAL 153 CO -0.26 0.47 -0.36 1.23 0.02 0.00 0.00 177.57 178.67 2kkx h GLY 154 N 0.65 0.00 1.60 2.17 0.00 -0.51 -2.80 103.07 104.18 2kkx h GLY 154 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2kkx h GLY 154 CO 0.07 0.00 -0.77 0.83 0.00 0.00 0.00 176.54 176.67 2kkx h GLU 155 N 0.00 0.00 0.00 4.80 4.39 -0.82 -3.48 114.58 119.47 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 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2kkx h GLU 155 CO 0.05 0.34 0.00 0.41 -1.16 0.00 0.00 179.01 178.64 2kkx n GLY 156 N 1.26 0.57 3.80 -3.84 0.00 -0.19 -5.08 105.19 101.71 2kkx n GLY 156 Ca -0.01 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 4.08 1.00 0.99 1.43 0.03 -5.01 118.68 121.20 2kkx s LEU 157 Ca 0.00 1.85 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 2kkx s LEU 157 Cb 0.00 -4.31 0.20 0.00 0.03 0.00 0.00 46.19 42.11 2kkx s LEU 157 CO 0.00 -0.37 1.22 -2.16 0.23 0.00 0.00 176.35 175.27 2kkx s PRO 158 N -2.71 0.37 0.19 1.29 0.04 -1.26 -4.58 135.00 128.33 2kkx s PRO 158 Ca 0.58 -0.16 -0.33 0.00 0.04 0.00 0.00 61.00 61.14 2kkx s PRO 158 Cb -0.16 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 2kkx s PRO 158 CO 0.20 -2.64 1.52 1.58 0.04 0.00 0.00 177.00 177.71 2kkx n HIS 159 N -3.98 2.27 0.32 0.56 -0.00 -0.42 -4.87 115.22 109.11 2kkx n HIS 159 Ca 0.13 0.32 0.15 0.00 -0.00 0.00 0.00 57.72 58.32 2kkx n HIS 159 Cb 0.60 -2.52 0.65 0.00 -0.00 0.00 0.00 29.99 28.71 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 5.31 0.00 0.00 1.57 0.13 -1.94 -1.06 132.00 136.02 2kkx h PRO 160 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kkx h PRO 160 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kkx h PRO 160 CO 0.84 0.00 -0.73 1.28 -0.23 0.00 0.00 178.00 179.16 2kkx n LEU 161 N -2.74 1.48 -0.20 1.56 4.77 -1.26 -4.80 117.00 115.81 2kkx n LEU 161 Ca 0.01 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 2kkx n LEU 161 Cb 0.25 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2kkx n LEU 161 CO 0.23 -0.34 0.12 1.07 -1.33 0.00 0.00 177.39 177.15 2kkx n THR 162 N -4.01 0.00 -2.01 -5.08 5.66 -1.25 -4.98 114.28 102.60 2kkx n THR 162 Ca -0.10 -0.23 -0.18 0.00 -3.05 0.00 0.00 64.05 60.49 2kkx n THR 162 Cb 0.38 1.10 -0.03 0.00 -1.55 0.00 0.00 70.33 70.23 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 -0.71 -1.33 -1.64 1.09 5.12 -0.40 -4.97 116.66 113.82 2kkx n ARG 163 Ca 0.05 0.96 -0.33 0.00 -1.93 0.00 0.00 57.85 56.59 2kkx n ARG 163 Cb 0.30 -5.34 0.06 0.00 -1.16 0.00 0.00 32.46 26.33 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 -4.34 2.56 -0.21 5.56 0.41 -1.26 -4.44 118.70 116.98 2kkx s GLU 164 Ca 0.00 1.52 -0.29 0.00 -0.41 0.00 0.00 54.97 55.79 2kkx s GLU 164 Cb 0.00 -1.91 -0.04 0.00 -1.78 0.00 0.00 34.13 30.40 2kkx s GLU 164 CO 0.00 -1.46 1.83 -1.25 -0.49 0.00 0.00 175.26 173.89 2kkx s PRO 165 N -4.02 3.59 0.07 0.39 0.04 -1.26 -1.30 135.00 132.51 2kkx s PRO 165 Ca 0.69 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 2kkx s PRO 165 Cb -0.23 -4.16 -0.09 0.00 0.04 0.00 0.00 34.50 30.05 2kkx s PRO 165 CO 0.43 -1.55 1.88 0.42 0.04 0.00 0.00 177.00 178.21 2kkx s ILE 166 N 6.16 2.83 0.12 0.56 1.01 -1.26 -4.93 121.20 125.68 2kkx s ILE 166 Ca 0.82 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.47 2kkx s ILE 166 Cb -0.28 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 2kkx s ILE 166 CO 0.33 -0.00 0.24 0.28 0.00 0.00 0.00 174.94 175.78 2kkx s THR 167 N 3.59 0.11 -0.52 2.92 -1.32 -1.26 -5.04 115.64 114.12 2kkx s THR 167 Ca 0.84 -1.26 0.24 0.00 -1.21 0.00 0.00 61.69 60.30 2kkx s THR 167 Cb -0.44 -1.57 0.26 0.00 -1.51 0.00 0.00 72.50 69.25 2kkx s THR 167 CO 0.38 -0.48 1.73 0.00 -2.21 0.00 0.00 174.62 174.05 2kkx n ALA 168 N -0.13 1.80 0.14 11.08 0.00 -1.26 -2.89 120.51 129.25 2kkx n ALA 168 Ca -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kkx n ALA 168 Cb 0.63 -1.41 0.24 0.00 0.00 0.00 0.00 19.45 18.90 2kkx n ALA 168 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kkx h SER 169 N 0.00 0.06 0.02 0.00 0.02 -1.97 -3.24 113.55 108.45 2kkx h SER 169 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kkx h SER 169 Cb 0.46 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2kkx h SER 169 CO 0.00 0.55 -0.82 2.30 -1.14 0.00 0.00 176.83 177.72 2kkx n ILE 170 N -3.94 0.00 -3.21 3.27 -5.35 -1.14 -4.91 119.36 104.07 2kkx n ILE 170 Ca -0.02 -0.08 -0.39 0.00 -0.27 0.00 0.00 62.75 62.00 2kkx n ILE 170 Cb 0.52 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 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 -2.84 4.73 0.25 7.28 2.07 -1.21 -0.51 121.20 130.97 2kkx s ILE 171 Ca 0.11 1.30 0.02 0.00 -1.41 0.00 0.00 60.65 60.68 2kkx s ILE 171 Cb 0.17 -3.94 -0.05 0.00 0.13 0.00 0.00 42.46 38.76 2kkx s ILE 171 CO 0.77 0.51 0.05 0.68 -1.91 0.00 0.00 174.94 175.05 2kkx s VAL 172 N -0.87 0.82 0.30 4.00 -7.23 -0.47 -4.89 120.40 112.06 2kkx s VAL 172 Ca 0.31 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2kkx s VAL 172 Cb -0.20 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2kkx s VAL 172 CO 0.20 -0.14 0.61 -0.54 -0.31 0.00 0.00 175.10 174.91 2kkx s LYS 173 N -3.95 3.72 0.54 4.82 1.02 -1.26 -3.89 119.74 120.75 2kkx s LYS 173 Ca 0.34 0.20 0.30 0.00 0.02 0.00 0.00 55.97 56.83 2kkx s LYS 173 Cb 0.07 -2.58 1.54 0.00 -0.52 0.00 0.00 37.83 36.34 2kkx s LYS 173 CO 0.12 0.19 2.09 1.12 -0.92 0.00 0.00 175.35 177.94 2kkx h HIS 174 N 1.84 0.00 0.00 3.18 2.07 -1.86 -1.39 115.15 118.99 2kkx h HIS 174 Ca -0.47 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.00 2kkx h HIS 174 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 2kkx h HIS 174 CO 0.59 0.09 -0.69 1.49 -3.07 0.00 0.00 177.93 176.34 2kkx h GLU 175 N 0.00 0.00 0.00 5.12 4.81 -1.94 -3.35 114.58 119.21 2kkx h GLU 175 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kkx h GLU 175 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2kkx h GLU 175 CO 0.01 0.14 -0.39 1.49 -0.73 0.00 0.00 179.01 179.53 2kkx h GLU 176 N 0.00 0.00 -5.34 1.92 4.81 -1.65 -3.45 114.58 110.87 2kkx h GLU 176 Ca -0.03 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.80 2kkx h GLU 176 Cb 1.18 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.36 2kkx h GLU 176 CO 0.02 0.00 -0.76 0.00 -0.73 0.00 0.00 179.01 177.54 2kkx s ILE 178 N -1.82 0.23 0.03 0.00 -0.00 -0.52 -4.79 121.20 114.33 2kkx s ILE 178 Ca 0.04 -1.92 -0.30 0.00 -0.00 0.00 0.00 60.65 58.47 2kkx s ILE 178 Cb -0.07 -2.03 -0.05 0.00 -0.00 0.00 0.00 42.46 40.31 2kkx s ILE 178 CO 0.02 -0.50 1.23 -0.72 -0.00 0.00 0.00 174.94 174.98 2kkx s TYR 179 N -3.96 3.31 -0.08 1.37 1.13 -1.26 -1.11 117.35 116.75 2kkx s TYR 179 Ca 0.23 1.21 -0.02 0.00 -1.41 0.00 0.00 57.07 57.09 2kkx s TYR 179 Cb 0.07 -3.46 -0.03 0.00 -1.10 0.00 0.00 41.96 37.44 2kkx s TYR 179 CO 0.02 -1.46 0.01 0.34 -2.51 0.00 0.00 175.55 171.94 2kkx s ASP 180 N 1.24 5.28 -0.11 -0.18 -1.08 -0.61 -4.89 116.67 116.32 2kkx s ASP 180 Ca 0.59 0.15 -0.27 0.00 -0.52 0.00 0.00 52.55 52.50 2kkx s ASP 180 Cb -0.29 -1.49 -0.27 0.00 -1.46 0.00 0.00 42.92 39.41 2kkx s ASP 180 CO 0.27 0.38 0.84 -0.78 0.52 0.00 0.00 175.17 176.40 2kkx h ASP 181 N 5.11 0.12 0.86 -0.34 3.58 -1.95 -0.26 116.42 123.55 2kkx h ASP 181 Ca -0.51 -0.95 -0.06 0.00 0.42 0.00 0.00 57.03 55.93 2kkx h ASP 181 Cb 1.19 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2kkx h ASP 181 CO 0.55 1.06 -0.26 0.00 -2.88 0.00 0.00 179.24 177.70 2kkx h THR 182 N -0.81 0.66 0.06 2.25 1.03 -1.97 -1.90 112.91 112.24 2kkx h THR 182 Ca -0.03 -1.21 -0.25 0.00 -0.01 0.00 0.00 66.41 64.91 2kkx h THR 182 Cb 1.11 1.79 -0.02 0.00 -1.07 0.00 0.00 68.15 69.97 2kkx h THR 182 CO 0.04 0.26 -1.20 0.03 -0.01 0.00 0.00 175.52 174.63 2kkx h ARG 183 N 0.00 0.13 -0.28 0.00 2.47 -2.01 -3.48 114.38 111.21 2kkx h ARG 183 Ca -0.00 -0.22 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2kkx h ARG 183 Cb 0.77 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 2kkx h ARG 183 CO 0.03 1.06 -0.08 0.41 0.56 0.00 0.00 179.97 181.95 2kkx n GLY 184 N 1.47 0.59 3.56 0.04 0.00 -0.19 -5.00 105.19 105.66 2kkx n GLY 184 Ca -0.06 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.31 0.14 1.61 3.84 -0.68 -4.97 114.94 111.65 2kkx s ASN 185 Ca 0.00 -0.09 -0.31 0.00 0.21 0.00 0.00 52.86 52.67 2kkx s ASN 185 Cb 0.00 0.39 -0.10 0.00 -0.55 0.00 0.00 41.25 40.99 2kkx s ASN 185 CO 0.00 -0.66 1.60 -0.36 -2.79 0.00 0.00 177.10 174.90 2kkx s PHE 186 N -3.11 2.88 0.38 0.43 0.40 -1.26 -1.58 117.98 116.11 2kkx s PHE 186 Ca 0.07 0.52 0.04 0.00 -0.60 0.00 0.00 56.93 56.96 2kkx s PHE 186 Cb -0.01 -3.95 -0.03 0.00 0.51 0.00 0.00 43.02 39.54 2kkx s PHE 186 CO -0.06 -3.61 0.16 0.96 0.70 0.00 0.00 175.22 173.36 2kkx s ILE 187 N 1.55 0.47 0.51 0.64 -4.36 -0.27 -1.05 121.20 118.69 2kkx s ILE 187 Ca 0.72 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.92 2kkx s ILE 187 Cb -0.43 -2.41 -0.07 0.00 1.25 0.00 0.00 42.46 40.79 2kkx s ILE 187 CO 0.32 0.00 1.03 -0.63 0.24 0.00 0.00 174.94 175.90 2kkx s ILE 188 N -3.32 3.88 0.71 8.37 -1.09 -1.26 -1.44 121.20 127.05 2kkx s ILE 188 Ca 0.29 1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.67 2kkx s ILE 188 Cb 0.03 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 2kkx s ILE 188 CO 0.17 -0.34 1.07 -0.54 -1.23 0.00 0.00 174.94 174.07 2kkx s LYS 189 N -3.50 2.76 -0.09 2.79 1.02 -0.79 -4.81 119.74 117.11 2kkx s LYS 189 Ca 0.65 1.06 -0.13 0.00 0.02 0.00 0.00 55.97 57.58 2kkx s LYS 189 Cb -0.15 -1.96 -0.28 0.00 -0.52 0.00 0.00 37.83 34.91 2kkx s LYS 189 CO 0.25 -1.24 0.56 0.78 -0.92 0.00 0.00 175.35 174.77 2kkx h GLY 190 N -0.71 0.34 0.00 -3.33 0.00 -1.97 -3.50 103.07 93.90 2kkx h GLY 190 Ca -0.44 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.03 2kkx h GLY 190 CO 0.55 0.75 0.00 1.16 0.00 0.00 0.00 176.54 179.00