#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 0.50 -0.44 -1.46 7.50 -1.92 -3.10 115.11 116.19 2kkx h GLN 91 Ca 0.00 -0.09 0.09 0.00 0.50 0.00 0.00 58.65 59.15 2kkx h GLN 91 Cb 0.00 -0.08 -0.08 0.00 0.05 0.00 0.00 27.48 27.36 2kkx h GLN 91 CO 0.00 0.50 -0.12 1.05 -1.50 0.00 0.00 178.83 178.77 2kkx h GLU 92 N 0.49 -0.01 -0.48 1.46 4.11 -2.00 -1.30 114.58 116.85 2kkx h GLU 92 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 2kkx h GLU 92 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2kkx h GLU 92 CO 0.00 -0.00 0.09 0.77 0.07 0.00 0.00 179.01 179.94 2kkx h SER 93 N -0.01 0.68 -0.04 3.06 0.02 -1.99 -2.81 113.55 112.45 2kkx h SER 93 Ca 0.21 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2kkx h SER 93 Cb 0.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2kkx h SER 93 CO -0.46 0.69 -0.08 0.40 -1.14 0.00 0.00 176.83 176.24 2kkx h ILE 94 N 0.70 1.43 -0.52 3.27 2.04 -1.46 -2.51 117.51 120.46 2kkx h ILE 94 Ca 0.15 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.69 2kkx h ILE 94 Cb 0.30 2.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 2kkx h ILE 94 CO 0.00 0.38 0.22 1.56 0.00 0.00 0.00 178.15 180.31 2kkx h GLN 95 N -0.38 0.42 -0.49 2.37 1.08 -1.13 0.19 115.11 117.17 2kkx h GLN 95 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2kkx h GLN 95 Cb 0.65 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2kkx h GLN 95 CO 0.02 0.28 0.32 -0.91 -0.95 0.00 0.00 178.83 177.59 2kkx h ASN 96 N 0.43 0.57 -0.08 1.46 2.35 -1.56 -2.74 115.58 116.01 2kkx h ASN 96 Ca 0.24 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2kkx h ASN 96 Cb 0.22 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2kkx h ASN 96 CO -0.21 0.41 -0.06 0.11 -1.65 0.00 0.00 177.43 176.03 2kkx h LYS 97 N 0.67 0.34 -0.57 0.81 6.56 -0.76 -2.15 116.57 121.47 2kkx h LYS 97 Ca 0.18 -0.07 -0.07 0.00 -1.06 0.00 0.00 60.65 59.63 2kkx h LYS 97 Cb -0.07 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 2kkx h LYS 97 CO -0.04 0.42 0.09 0.82 -2.06 0.00 0.00 179.45 178.69 2kkx h ILE 98 N 0.33 1.26 -0.42 1.86 2.04 -0.39 0.36 117.51 122.55 2kkx h ILE 98 Ca 0.07 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2kkx h ILE 98 Cb 0.33 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2kkx h ILE 98 CO 0.01 0.36 -0.01 -1.28 0.00 0.00 0.00 178.15 177.23 2kkx h SER 99 N 0.84 0.65 0.90 1.72 0.87 -1.25 -1.79 113.55 115.50 2kkx h SER 99 Ca 0.17 -0.15 -0.23 0.00 -1.23 0.00 0.00 61.79 60.36 2kkx h SER 99 Cb 0.42 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2kkx h SER 99 CO 0.01 0.73 -1.12 1.56 -0.53 0.00 0.00 176.83 177.48 2kkx h GLN 100 N 0.64 0.02 0.00 2.24 1.08 -0.98 -3.35 115.11 114.76 2kkx h GLN 100 Ca 0.13 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kkx h GLN 100 Cb 0.42 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2kkx h GLN 100 CO 0.02 0.95 -1.12 0.00 -0.95 0.00 0.00 178.83 177.73 2kkx s LYS 102 N -3.37 1.64 0.14 0.00 -2.85 -0.68 -4.20 119.74 110.43 2kkx s LYS 102 Ca -0.01 0.68 -0.22 0.00 -1.00 0.00 0.00 55.97 55.41 2kkx s LYS 102 Cb 0.11 -1.86 0.06 0.00 -2.06 0.00 0.00 37.83 34.07 2kkx s LYS 102 CO 0.80 -1.94 0.57 -0.59 0.10 0.00 0.00 175.35 174.29 2kkx s PHE 103 N -3.08 -0.49 -0.70 1.78 -0.71 -0.73 -4.96 117.98 109.09 2kkx s PHE 103 Ca 0.62 0.30 -0.26 0.00 -1.04 0.00 0.00 56.93 56.55 2kkx s PHE 103 Cb -0.16 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2kkx s PHE 103 CO 0.55 -0.81 1.88 -1.12 -1.34 0.00 0.00 175.22 174.38 2kkx s SER 104 N -2.67 5.24 -0.21 1.98 0.01 -1.26 -2.13 113.70 114.66 2kkx s SER 104 Ca 0.01 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.00 2kkx s SER 104 Cb -0.01 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2kkx s SER 104 CO -0.12 -2.48 1.81 -0.69 0.41 0.00 0.00 173.24 172.18 2kkx s VAL 105 N 9.33 3.43 -0.59 3.43 1.01 0.32 -4.94 120.40 132.40 2kkx s VAL 105 Ca 0.68 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2kkx s VAL 105 Cb -0.11 -3.48 0.15 0.00 0.00 0.00 0.00 36.38 32.94 2kkx s VAL 105 CO 0.14 -0.23 0.38 0.00 0.00 0.00 0.00 175.10 175.39 2kkx h PRO 107 N 6.93 1.12 -0.13 0.00 0.13 -1.91 -0.92 132.00 137.22 2kkx h PRO 107 Ca -0.03 -0.07 -0.21 0.00 -0.87 0.00 0.00 66.00 64.82 2kkx h PRO 107 Cb 0.94 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2kkx h PRO 107 CO 0.70 0.74 -0.76 1.05 -0.23 0.00 0.00 178.00 179.51 2kkx h GLU 108 N 1.15 0.65 -0.06 0.86 9.09 -1.95 -2.24 114.58 122.08 2kkx h GLU 108 Ca 0.38 -0.53 -0.22 0.00 0.05 0.00 0.00 59.36 59.04 2kkx h GLU 108 Cb 0.05 0.11 0.01 0.00 -1.65 0.00 0.00 28.75 27.28 2kkx h GLU 108 CO -0.12 1.15 -0.82 -0.09 0.05 0.00 0.00 179.01 179.17 2kkx h ARG 109 N 0.44 0.66 0.00 1.06 1.12 -1.85 -2.82 114.38 112.99 2kkx h ARG 109 Ca -0.04 -0.63 0.00 0.00 -1.11 0.00 0.00 59.98 58.20 2kkx h ARG 109 Cb 1.37 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.49 2kkx h ARG 109 CO 0.15 1.23 0.00 -0.07 -3.11 0.00 0.00 179.97 178.17 2kkx h LEU 110 N 0.32 0.00 0.62 3.80 3.38 -1.23 -3.46 115.31 118.74 2kkx h LEU 110 Ca -0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.62 2kkx h LEU 110 Cb 1.47 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.12 2kkx h LEU 110 CO 0.16 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.45 2kkx n GLN 111 N -2.39 -1.52 -3.32 1.13 6.02 -0.95 -4.98 117.38 111.37 2kkx n GLN 111 Ca 0.01 0.95 -0.39 0.00 -0.01 0.00 0.00 57.00 57.57 2kkx n GLN 111 Cb 0.21 -5.30 -0.07 0.00 1.02 0.00 0.00 30.24 26.10 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 1.48 2.42 0.18 0.00 0.04 -1.26 -4.64 135.00 133.22 2kkx s PRO 113 Ca 0.21 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 2kkx s PRO 113 Cb -0.15 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.74 2kkx s PRO 113 CO 0.09 -1.69 1.70 -0.07 0.04 0.00 0.00 177.00 177.08 2kkx h LEU 114 N 0.32 -0.08 -1.30 -3.56 3.38 -1.94 -1.30 115.31 110.83 2kkx h LEU 114 Ca -0.50 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2kkx h LEU 114 Cb 1.33 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2kkx h LEU 114 CO 0.52 -0.01 0.16 1.05 0.09 0.00 0.00 178.44 180.25 2kkx h GLU 115 N 0.19 0.64 0.00 1.13 4.11 -1.96 0.13 114.58 118.82 2kkx h GLU 115 Ca 0.24 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 2kkx h GLU 115 Cb 0.34 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kkx h GLU 115 CO -0.35 0.54 -0.06 0.00 0.07 0.00 0.00 179.01 179.21 2kkx h ALA 116 N 1.55 1.01 0.00 1.06 0.00 -1.61 -2.85 119.26 118.42 2kkx h ALA 116 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kkx h ALA 116 Cb 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.79 2kkx h ALA 116 CO -0.01 0.07 -0.70 0.44 0.00 0.00 0.00 179.25 179.05 2kkx n ILE 117 N -3.17 1.37 -2.67 0.00 -5.35 -0.94 -4.81 119.36 103.78 2kkx n ILE 117 Ca 0.01 -2.38 -0.42 0.00 -0.27 0.00 0.00 62.75 59.69 2kkx n ILE 117 Cb 0.35 0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 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 -2.00 4.61 -0.29 6.28 0.74 0.41 -4.23 119.66 125.17 2kkx s GLN 118 Ca 0.36 1.49 -0.29 0.00 0.05 0.00 0.00 55.36 56.98 2kkx s GLN 118 Cb 0.37 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.07 2kkx s GLN 118 CO -0.11 0.05 1.76 0.00 -0.55 0.00 0.00 175.29 176.45 2kkx n PRO 120 N 8.22 0.58 -0.06 0.00 -0.04 -1.26 -0.60 135.00 141.84 2kkx n PRO 120 Ca 0.22 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 2kkx n PRO 120 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.69 -0.00 0.52 2.04 -1.91 -3.40 117.51 115.44 2kkx h ILE 121 Ca 0.00 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2kkx h ILE 121 Cb 0.09 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2kkx h ILE 121 CO 0.00 0.23 -0.60 0.35 0.00 0.00 0.00 178.15 178.13 2kkx n THR 122 N -4.67 0.00 -3.69 -0.27 -2.24 -1.14 -4.98 114.28 97.29 2kkx n THR 122 Ca -0.07 -0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 2kkx n THR 122 Cb 0.26 0.72 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.01 -3.16 -3.55 3.22 7.99 0.23 -5.00 117.00 115.72 2kkx n LEU 123 Ca 0.07 -0.78 -0.17 0.00 -0.01 0.00 0.00 56.01 55.12 2kkx n LEU 123 Cb 0.36 -2.72 -0.06 0.00 -0.11 0.00 0.00 43.42 40.89 2kkx n LEU 123 CO 0.34 0.42 0.39 -1.83 -1.51 0.00 0.00 177.39 175.21 2kkx s GLU 124 N -6.00 1.01 -0.24 3.23 -1.05 -1.20 -5.00 118.70 109.47 2kkx s GLU 124 Ca 0.11 0.21 -0.29 0.00 -0.15 0.00 0.00 54.97 54.85 2kkx s GLU 124 Cb -0.06 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2kkx s GLU 124 CO 0.80 -0.31 1.39 -1.14 0.95 0.00 0.00 175.26 176.95 2kkx s GLN 125 N -1.20 3.97 0.71 -4.83 -0.44 -1.26 -1.19 119.66 115.43 2kkx s GLN 125 Ca -0.11 1.50 -0.11 0.00 -2.50 0.00 0.00 55.36 54.14 2kkx s GLN 125 Cb -0.01 -3.90 0.02 0.00 -1.64 0.00 0.00 33.01 27.49 2kkx s GLN 125 CO 0.09 -1.05 1.07 -1.25 0.50 0.00 0.00 175.29 174.65 2kkx s PRO 126 N 4.13 2.78 0.07 1.67 0.04 -1.26 -4.93 135.00 137.50 2kkx s PRO 126 Ca 0.61 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.73 2kkx s PRO 126 Cb -0.21 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.20 2kkx s PRO 126 CO 0.23 -1.19 0.78 -0.85 0.04 0.00 0.00 177.00 176.01 2kkx n GLU 127 N -3.17 0.57 -3.73 4.56 0.28 -1.26 -4.62 120.64 113.27 2kkx n GLU 127 Ca 0.07 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 2kkx n GLU 127 Cb 0.54 -1.65 -0.14 0.00 1.43 0.00 0.00 31.44 31.63 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 -3.41 0.14 0.17 3.44 0.00 -1.26 -0.52 119.74 118.30 2kkx s LYS 128 Ca -0.03 0.47 -0.24 0.00 0.00 0.00 0.00 55.97 56.17 2kkx s LYS 128 Cb 0.12 -0.16 0.06 0.00 0.00 0.00 0.00 37.83 37.85 2kkx s LYS 128 CO 0.85 -0.18 0.83 0.20 0.00 0.00 0.00 175.35 177.04 2kkx s GLY 129 N 1.35 -0.27 0.14 0.59 0.00 -0.91 -1.98 107.32 106.25 2kkx s GLY 129 Ca -0.08 0.15 0.10 0.00 0.00 0.00 0.00 44.72 44.90 2kkx s GLY 129 CO -0.07 0.04 -0.23 -0.26 0.00 0.00 0.00 173.10 172.57 2kkx s ILE 130 N -3.53 2.08 -0.34 0.90 -4.36 0.32 -1.78 121.20 114.49 2kkx s ILE 130 Ca 0.09 -1.80 -0.14 0.00 -0.26 0.00 0.00 60.65 58.55 2kkx s ILE 130 Cb -0.03 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 2kkx s ILE 130 CO 0.00 -0.06 0.30 -0.36 0.24 0.00 0.00 174.94 175.06 2kkx s PHE 131 N -1.38 3.22 -0.17 1.37 0.08 -1.24 -1.21 117.98 118.64 2kkx s PHE 131 Ca 0.14 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.10 2kkx s PHE 131 Cb -0.09 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.80 2kkx s PHE 131 CO 0.07 -0.38 -0.16 0.08 -0.10 0.00 0.00 175.22 174.72 2kkx s VAL 132 N 1.87 2.44 -0.04 -0.44 1.01 -0.82 -1.13 120.40 123.29 2kkx s VAL 132 Ca 0.09 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2kkx s VAL 132 Cb -0.17 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2kkx s VAL 132 CO 0.11 0.52 1.49 -1.59 0.00 0.00 0.00 175.10 175.62 2kkx s LYS 133 N 1.10 4.23 -1.20 2.72 -2.85 0.43 -1.92 119.74 122.25 2kkx s LYS 133 Ca 0.00 2.02 -0.21 0.00 -1.00 0.00 0.00 55.97 56.78 2kkx s LYS 133 Cb -0.14 -3.76 -0.04 0.00 -2.06 0.00 0.00 37.83 31.83 2kkx s LYS 133 CO -0.06 -0.71 1.87 1.21 0.10 0.00 0.00 175.35 177.76 2kkx s ASN 134 N 2.46 5.57 0.06 0.03 3.84 0.01 -4.78 114.94 122.13 2kkx s ASN 134 Ca 0.66 -1.83 -0.18 0.00 0.21 0.00 0.00 52.86 51.72 2kkx s ASN 134 Cb -0.31 -2.59 -0.13 0.00 -0.55 0.00 0.00 41.25 37.68 2kkx s ASN 134 CO 0.26 -2.51 1.36 -1.28 -2.79 0.00 0.00 177.10 172.14 2kkx h SER 135 N 9.20 0.52 -0.18 -4.21 0.87 -1.88 0.23 113.55 118.10 2kkx h SER 135 Ca 0.27 -0.49 -0.07 0.00 -1.23 0.00 0.00 61.79 60.28 2kkx h SER 135 Cb 0.92 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2kkx h SER 135 CO 1.29 0.91 -0.09 -0.78 -0.53 0.00 0.00 176.83 177.63 2kkx h ASP 136 N 0.14 0.51 0.13 6.23 1.82 -1.99 -3.02 116.42 120.24 2kkx h ASP 136 Ca 0.03 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 2kkx h ASP 136 Cb 0.77 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2kkx h ASP 136 CO 0.05 0.65 -0.06 1.23 -1.61 0.00 0.00 179.24 179.50 2kkx h GLY 137 N 0.91 -0.18 -0.84 -0.78 0.00 -1.96 -3.46 103.07 96.77 2kkx h GLY 137 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2kkx h GLY 137 CO 0.03 -0.07 -0.05 1.44 0.00 0.00 0.00 176.54 177.89 2kkx n SER 138 N -3.54 0.00 -1.65 0.19 7.64 -0.96 -5.01 113.62 110.30 2kkx n SER 138 Ca -0.02 -1.11 -0.21 0.00 1.01 0.00 0.00 58.87 58.54 2kkx n SER 138 Cb 0.07 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kkx n ASP 139 N 0.00 -5.45 -4.67 6.43 9.92 0.76 -4.96 116.55 118.59 2kkx n ASP 139 Ca 0.00 0.48 -0.40 0.00 -0.53 0.00 0.00 54.79 54.34 2kkx n ASP 139 Cb 0.52 -4.80 -0.06 0.00 -0.64 0.00 0.00 41.12 36.14 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kkx s VAL 140 N -2.76 5.02 0.01 2.53 1.01 -1.07 -3.63 120.40 121.49 2kkx s VAL 140 Ca 0.00 1.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.97 2kkx s VAL 140 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2kkx s VAL 140 CO 0.00 0.12 0.74 0.00 0.00 0.00 0.00 175.10 175.96 2kkx s THR 142 N 0.22 1.98 -0.46 0.00 2.01 -0.81 -4.58 115.64 113.99 2kkx s THR 142 Ca 0.38 -1.38 -0.21 0.00 0.31 0.00 0.00 61.69 60.78 2kkx s THR 142 Cb -0.19 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.64 2kkx s THR 142 CO 0.21 0.25 0.69 -0.22 -0.69 0.00 0.00 174.62 174.87 2kkx s LEU 143 N -1.36 4.50 -0.14 4.42 2.96 -1.26 -1.95 118.68 125.86 2kkx s LEU 143 Ca 0.10 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2kkx s LEU 143 Cb -0.10 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 2kkx s LEU 143 CO 0.03 -0.86 0.09 -0.36 -1.32 0.00 0.00 176.35 173.92 2kkx s PHE 144 N 2.97 3.39 0.22 5.38 0.08 -0.35 -3.35 117.98 126.33 2kkx s PHE 144 Ca 0.23 0.32 -0.32 0.00 0.12 0.00 0.00 56.93 57.28 2kkx s PHE 144 Cb -0.14 -1.96 -0.13 0.00 -0.57 0.00 0.00 43.02 40.22 2kkx s PHE 144 CO 0.18 0.48 1.58 -3.47 -0.10 0.00 0.00 175.22 173.90 2kkx n ASP 145 N 2.57 3.44 -0.28 1.36 -0.08 -1.26 -0.52 116.55 121.77 2kkx n ASP 145 Ca -0.18 1.11 0.04 0.00 -1.51 0.00 0.00 54.79 54.24 2kkx n ASP 145 Cb 0.54 -1.51 0.18 0.00 2.34 0.00 0.00 41.12 42.67 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 5.48 1.17 -0.04 -1.67 0.00 -1.68 -0.82 119.26 121.70 2kkx h ALA 146 Ca -0.45 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2kkx h ALA 146 Cb 1.24 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.96 2kkx h ALA 146 CO 0.85 0.02 -0.96 0.00 0.00 0.00 0.00 179.25 179.16 2kkx h ALA 147 N 1.48 0.17 -0.59 0.00 0.00 -1.90 -2.17 119.26 116.24 2kkx h ALA 147 Ca 0.41 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2kkx h ALA 147 Cb 0.44 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kkx h ALA 147 CO -0.28 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 2kkx h ALA 148 N 0.43 0.79 0.06 0.00 0.00 -1.78 0.47 119.26 119.24 2kkx h ALA 148 Ca -0.11 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 2kkx h ALA 148 Cb 1.61 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 19.20 2kkx h ALA 148 CO 0.19 0.64 -1.11 0.35 0.00 0.00 0.00 179.25 179.32 2kkx h PHE 149 N 0.94 0.87 0.00 0.00 3.57 -1.27 -2.58 116.94 118.47 2kkx h PHE 149 Ca 0.17 -0.51 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 2kkx h PHE 149 Cb 0.57 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2kkx h PHE 149 CO 0.04 1.35 -0.18 1.03 -2.23 0.00 0.00 178.31 178.32 2kkx h SER 150 N 0.28 0.00 0.45 0.41 0.87 -1.29 -1.50 113.55 112.78 2kkx h SER 150 Ca -0.14 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2kkx h SER 150 Cb 1.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2kkx h SER 150 CO 0.21 0.18 -0.22 -0.09 -0.53 0.00 0.00 176.83 176.38 2kkx h ARG 151 N 0.00 -0.59 -0.62 2.24 9.65 -0.82 -1.48 114.38 122.76 2kkx h ARG 151 Ca -0.00 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.01 2kkx h ARG 151 Cb 0.34 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.98 2kkx h ARG 151 CO 0.02 -0.30 0.23 -0.07 2.80 0.00 0.00 179.97 182.66 2kkx h LEU 152 N -0.83 0.23 -0.15 3.80 3.38 -1.01 0.18 115.31 120.90 2kkx h LEU 152 Ca -0.06 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kkx h LEU 152 Cb 0.56 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kkx h LEU 152 CO 0.10 0.13 0.01 0.58 0.09 0.00 0.00 178.44 179.35 2kkx h VAL 153 N 0.41 1.24 0.00 1.22 2.07 -1.36 0.07 116.25 119.90 2kkx h VAL 153 Ca 0.31 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2kkx h VAL 153 Cb 0.39 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2kkx h VAL 153 CO -0.31 0.24 0.00 1.23 0.02 0.00 0.00 177.57 178.75 2kkx h GLY 154 N 0.02 0.00 1.29 2.17 0.00 -0.46 -1.40 103.07 104.69 2kkx h GLY 154 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2kkx h GLY 154 CO 0.01 0.00 -1.02 0.83 0.00 0.00 0.00 176.54 176.35 2kkx h GLU 155 N 0.00 0.00 -0.54 4.80 4.39 -0.41 -3.49 114.58 119.33 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 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2kkx h GLU 155 CO 0.00 0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.51 2kkx n GLY 156 N 1.29 0.88 3.88 -3.84 0.00 -0.53 -5.08 105.19 101.79 2kkx n GLY 156 Ca -0.04 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.54 4.20 1.19 0.99 1.43 -0.08 -5.04 118.68 120.83 2kkx s LEU 157 Ca 0.00 0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 2kkx s LEU 157 Cb 0.00 -2.75 0.28 0.00 0.03 0.00 0.00 46.19 43.74 2kkx s LEU 157 CO 0.00 0.19 1.11 -2.16 0.23 0.00 0.00 176.35 175.72 2kkx s PRO 158 N -2.35 -1.10 0.12 1.29 0.04 -1.26 -4.42 135.00 127.32 2kkx s PRO 158 Ca 0.32 -0.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.01 2kkx s PRO 158 Cb -0.13 -1.61 -0.10 0.00 0.04 0.00 0.00 34.50 32.70 2kkx s PRO 158 CO 0.24 -3.64 1.86 1.58 0.04 0.00 0.00 177.00 177.08 2kkx n HIS 159 N -4.71 2.62 0.29 0.56 -0.00 -0.48 -4.88 115.22 108.62 2kkx n HIS 159 Ca 0.13 -0.18 0.08 0.00 -0.00 0.00 0.00 57.72 57.74 2kkx n HIS 159 Cb 0.59 -2.74 0.36 0.00 -0.00 0.00 0.00 29.99 28.20 2kkx n HIS 159 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2kkx n PRO 160 N 5.87 0.09 -0.03 1.57 -0.04 -1.26 -0.51 135.00 140.69 2kkx n PRO 160 Ca 0.18 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 64.06 2kkx n PRO 160 Cb 0.38 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 2kkx n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkx n LEU 161 N -1.89 0.59 -0.07 1.53 4.77 -1.26 -4.79 117.00 115.88 2kkx n LEU 161 Ca 0.01 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2kkx n LEU 161 Cb 0.12 -0.57 0.27 0.00 -2.33 0.00 0.00 43.42 40.91 2kkx n LEU 161 CO 0.12 -0.43 0.49 1.07 -1.33 0.00 0.00 177.39 177.31 2kkx n THR 162 N -3.09 0.00 -1.96 -5.08 5.66 -1.22 -4.94 114.28 103.65 2kkx n THR 162 Ca -0.04 -0.03 -0.21 0.00 -3.05 0.00 0.00 64.05 60.71 2kkx n THR 162 Cb 0.16 0.31 -0.05 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.56 -3.01 1.09 5.12 0.33 -4.96 116.66 112.40 2kkx n ARG 163 Ca 0.07 1.14 -0.29 0.00 -1.93 0.00 0.00 57.85 56.84 2kkx n ARG 163 Cb 0.34 -5.65 -0.03 0.00 -1.16 0.00 0.00 32.46 25.96 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 3.68 -0.22 5.56 0.41 -1.26 -4.59 118.70 117.94 2kkx s GLU 164 Ca 0.00 0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.51 2kkx s GLU 164 Cb 0.00 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.82 2kkx s GLU 164 CO 0.00 0.03 1.95 -1.25 -0.49 0.00 0.00 175.26 175.50 2kkx s PRO 165 N -3.91 3.44 0.35 0.39 0.04 -1.26 -1.38 135.00 132.68 2kkx s PRO 165 Ca 0.48 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 2kkx s PRO 165 Cb -0.10 -4.23 -0.12 0.00 0.04 0.00 0.00 34.50 30.08 2kkx s PRO 165 CO 0.33 -1.74 1.33 -0.89 0.04 0.00 0.00 177.00 176.07 2kkx n ILE 166 N 7.14 2.01 -3.82 0.56 5.41 -1.26 -4.94 119.36 124.46 2kkx n ILE 166 Ca 0.25 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.40 2kkx n ILE 166 Cb 0.45 -1.66 -0.07 0.00 -0.71 0.00 0.00 39.64 37.65 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 -1.10 0.12 0.48 1.39 -1.32 -1.26 -4.84 115.64 109.10 2kkx s THR 167 Ca 0.55 -1.06 0.31 0.00 -1.21 0.00 0.00 61.69 60.28 2kkx s THR 167 Cb -0.55 -1.35 0.34 0.00 -1.51 0.00 0.00 72.50 69.43 2kkx s THR 167 CO 0.63 -0.54 2.16 0.00 -2.21 0.00 0.00 174.62 174.66 2kkx h ALA 168 N 2.64 1.29 -0.20 11.08 0.00 -1.89 -2.92 119.26 129.25 2kkx h ALA 168 Ca -0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2kkx h ALA 168 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kkx h ALA 168 CO 0.53 0.08 -0.05 1.03 0.00 0.00 0.00 179.25 180.84 2kkx h SER 169 N 0.00 0.40 0.99 0.00 0.87 -1.98 -3.26 113.55 110.57 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 0.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kkx h SER 169 CO 0.01 0.68 0.00 2.30 -0.53 0.00 0.00 176.83 179.28 2kkx n ILE 170 N -4.62 0.14 -3.73 2.23 -5.35 -1.11 -4.73 119.36 102.19 2kkx n ILE 170 Ca -0.05 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.08 2kkx n ILE 170 Cb 0.28 -0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 37.55 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 -3.01 5.41 0.31 7.28 2.07 -1.22 -0.43 121.20 131.61 2kkx s ILE 171 Ca 0.13 0.26 0.03 0.00 -1.41 0.00 0.00 60.65 59.66 2kkx s ILE 171 Cb 0.18 -3.48 -0.04 0.00 0.13 0.00 0.00 42.46 39.24 2kkx s ILE 171 CO 0.51 0.47 0.14 0.68 -1.91 0.00 0.00 174.94 174.84 2kkx s VAL 172 N 0.05 0.43 0.52 4.00 -7.23 -0.28 -4.95 120.40 112.94 2kkx s VAL 172 Ca 0.11 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2kkx s VAL 172 Cb -0.12 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2kkx s VAL 172 CO 0.00 0.00 0.77 -0.54 -0.31 0.00 0.00 175.10 175.03 2kkx s LYS 173 N -3.83 2.85 0.34 4.82 1.02 -1.26 -3.72 119.74 119.96 2kkx s LYS 173 Ca 0.35 -0.43 0.04 0.00 0.02 0.00 0.00 55.97 55.95 2kkx s LYS 173 Cb 0.05 -2.45 0.62 0.00 -0.52 0.00 0.00 37.83 35.53 2kkx s LYS 173 CO 0.17 -0.54 1.91 1.25 -0.92 0.00 0.00 175.35 177.22 2kkx h HIS 174 N 0.12 0.61 -0.00 3.18 -0.00 -1.89 -2.16 115.15 115.02 2kkx h HIS 174 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2kkx h HIS 174 Cb 1.27 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2kkx h HIS 174 CO 0.43 0.53 -0.11 -0.85 -0.00 0.00 0.00 177.93 177.93 2kkx n GLU 175 N -4.33 0.03 0.00 5.26 0.28 -1.26 -3.14 120.64 117.48 2kkx n GLU 175 Ca 0.03 -0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.15 2kkx n GLU 175 Cb 0.19 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 31.85 2kkx n GLU 175 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kkx n GLU 176 N -1.48 1.36 -4.17 3.44 2.13 -0.82 -4.88 120.64 116.21 2kkx n GLU 176 Ca 0.07 -0.94 -0.16 0.00 0.66 0.00 0.00 57.16 56.79 2kkx n GLU 176 Cb 0.33 -1.48 -0.13 0.00 0.27 0.00 0.00 31.44 30.43 2kkx n GLU 176 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kkx s ILE 178 N -0.67 2.03 -0.30 0.00 -0.00 -0.44 -4.84 121.20 116.98 2kkx s ILE 178 Ca -0.02 -2.01 -0.28 0.00 -0.00 0.00 0.00 60.65 58.33 2kkx s ILE 178 Cb -0.06 -1.98 -0.02 0.00 -0.00 0.00 0.00 42.46 40.41 2kkx s ILE 178 CO 0.00 -0.28 1.78 -0.72 -0.00 0.00 0.00 174.94 175.72 2kkx s TYR 179 N -2.03 1.83 -0.21 1.37 1.13 -1.26 -1.34 117.35 116.84 2kkx s TYR 179 Ca 0.19 0.59 -0.15 0.00 -1.41 0.00 0.00 57.07 56.29 2kkx s TYR 179 Cb -0.06 -4.11 -0.04 0.00 -1.10 0.00 0.00 41.96 36.65 2kkx s TYR 179 CO 0.08 -3.03 0.35 0.34 -2.51 0.00 0.00 175.55 170.79 2kkx s ASP 180 N 5.80 6.37 0.07 -0.18 -1.08 -0.40 -4.94 116.67 122.32 2kkx s ASP 180 Ca 0.79 0.43 -0.07 0.00 -0.52 0.00 0.00 52.55 53.19 2kkx s ASP 180 Cb -0.23 -2.21 -0.27 0.00 -1.46 0.00 0.00 42.92 38.75 2kkx s ASP 180 CO 0.33 -0.05 1.14 -0.78 0.52 0.00 0.00 175.17 176.33 2kkx h ASP 181 N 7.41 0.54 0.94 -0.34 3.58 -1.94 0.17 116.42 126.77 2kkx h ASP 181 Ca -0.36 -0.55 -0.11 0.00 0.42 0.00 0.00 57.03 56.43 2kkx h ASP 181 Cb 1.16 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2kkx h ASP 181 CO 0.70 1.41 -0.54 0.00 -2.88 0.00 0.00 179.24 177.93 2kkx h THR 182 N 0.12 1.12 0.03 2.25 1.03 -1.94 -2.59 112.91 112.92 2kkx h THR 182 Ca -0.15 -2.06 -0.21 0.00 -0.01 0.00 0.00 66.41 63.98 2kkx h THR 182 Cb 1.95 2.20 -0.01 0.00 -1.07 0.00 0.00 68.15 71.22 2kkx h THR 182 CO 0.21 0.53 -0.97 0.03 -0.01 0.00 0.00 175.52 175.31 2kkx h ARG 183 N 0.00 0.18 -0.11 0.00 2.47 -1.98 -3.48 114.38 111.46 2kkx h ARG 183 Ca -0.01 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.44 2kkx h ARG 183 Cb 1.16 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 2kkx h ARG 183 CO 0.07 1.01 -0.04 0.41 0.56 0.00 0.00 179.97 181.98 2kkx n GLY 184 N 1.08 0.54 3.18 0.04 0.00 0.53 -5.00 105.19 105.56 2kkx n GLY 184 Ca -0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2kkx n GLY 184 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kkx s ASN 185 N -2.36 0.13 -0.16 1.61 -0.87 -0.86 -4.97 114.94 107.46 2kkx s ASN 185 Ca 0.00 -0.57 -0.29 0.00 -1.57 0.00 0.00 52.86 50.43 2kkx s ASN 185 Cb 0.00 0.30 -0.02 0.00 -0.02 0.00 0.00 41.25 41.50 2kkx s ASN 185 CO 0.00 -0.64 1.42 -0.36 -2.57 0.00 0.00 177.10 174.96 2kkx s PHE 186 N -3.29 2.49 0.41 2.20 0.40 -1.26 -1.27 117.98 117.66 2kkx s PHE 186 Ca 0.01 0.71 0.03 0.00 -0.60 0.00 0.00 56.93 57.08 2kkx s PHE 186 Cb 0.02 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.79 2kkx s PHE 186 CO -0.08 -2.45 0.10 0.96 0.70 0.00 0.00 175.22 174.46 2kkx s ILE 187 N 4.02 0.75 0.33 0.64 -4.36 -0.45 -1.35 121.20 120.79 2kkx s ILE 187 Ca 0.62 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.76 2kkx s ILE 187 Cb -0.24 -2.38 -0.10 0.00 1.25 0.00 0.00 42.46 40.99 2kkx s ILE 187 CO 0.22 0.00 0.94 -0.63 0.24 0.00 0.00 174.94 175.70 2kkx s ILE 188 N -3.17 4.25 0.60 8.37 -1.09 -1.24 -1.32 121.20 127.60 2kkx s ILE 188 Ca 0.23 1.76 -0.19 0.00 -2.23 0.00 0.00 60.65 60.22 2kkx s ILE 188 Cb 0.03 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2kkx s ILE 188 CO 0.13 0.08 1.25 -0.54 -1.23 0.00 0.00 174.94 174.63 2kkx s LYS 189 N -2.20 2.86 0.00 2.79 1.02 -1.06 -4.83 119.74 118.32 2kkx s LYS 189 Ca 0.51 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.44 2kkx s LYS 189 Cb -0.17 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2kkx s LYS 189 CO 0.22 -1.32 0.65 0.41 -0.92 0.00 0.00 175.35 174.40 2kkx n GLY 190 N 0.65 0.59 0.78 -3.33 0.00 -1.26 -5.05 105.19 97.56 2kkx n GLY 190 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31