#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 0.81 -0.84 1.43 7.50 -1.95 -3.04 115.11 119.02 2kkx h GLN 91 Ca 0.00 -0.12 0.03 0.00 0.50 0.00 0.00 58.65 59.07 2kkx h GLN 91 Cb 0.00 -0.15 -0.05 0.00 0.05 0.00 0.00 27.48 27.34 2kkx h GLN 91 CO 0.00 0.66 0.55 1.05 -1.50 0.00 0.00 178.83 179.59 2kkx h GLU 92 N 0.76 1.01 -0.53 1.46 9.09 -1.99 -0.28 114.58 124.10 2kkx h GLU 92 Ca 0.19 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.43 2kkx h GLU 92 Cb 0.12 -0.23 -0.02 0.00 -1.65 0.00 0.00 28.75 26.97 2kkx h GLU 92 CO -0.02 0.67 -0.10 0.77 0.05 0.00 0.00 179.01 180.38 2kkx h SER 93 N 1.04 0.97 -0.38 3.06 0.02 -1.98 -2.53 113.55 113.76 2kkx h SER 93 Ca 0.33 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2kkx h SER 93 Cb 0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2kkx h SER 93 CO -0.10 1.08 -0.21 0.40 -1.14 0.00 0.00 176.83 176.86 2kkx h ILE 94 N 0.88 1.28 -0.91 3.27 2.04 -1.25 -2.49 117.51 120.32 2kkx h ILE 94 Ca 0.14 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.72 2kkx h ILE 94 Cb 0.64 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 2kkx h ILE 94 CO 0.04 0.45 0.57 1.56 0.00 0.00 0.00 178.15 180.78 2kkx h GLN 95 N 0.60 1.00 -0.47 2.37 1.08 -1.00 -0.35 115.11 118.34 2kkx h GLN 95 Ca 0.08 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2kkx h GLN 95 Cb 0.77 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2kkx h GLN 95 CO 0.06 0.66 0.27 -0.91 -0.95 0.00 0.00 178.83 177.96 2kkx h ASN 96 N 1.03 0.59 -0.76 1.46 2.35 -1.27 -2.59 115.58 116.39 2kkx h ASN 96 Ca 0.40 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2kkx h ASN 96 Cb 0.21 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2kkx h ASN 96 CO -0.18 0.50 0.28 0.11 -1.65 0.00 0.00 177.43 176.49 2kkx h LYS 97 N 0.63 1.15 -0.52 0.81 6.56 -0.83 -2.09 116.57 122.29 2kkx h LYS 97 Ca 0.17 -0.22 -0.08 0.00 -1.06 0.00 0.00 60.65 59.46 2kkx h LYS 97 Cb 0.04 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 2kkx h LYS 97 CO -0.03 0.95 0.02 0.82 -2.06 0.00 0.00 179.45 179.15 2kkx h ILE 98 N 1.12 1.25 -0.37 1.86 2.04 -1.02 0.13 117.51 122.52 2kkx h ILE 98 Ca 0.25 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2kkx h ILE 98 Cb 0.24 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2kkx h ILE 98 CO -0.02 0.37 0.18 -1.28 0.00 0.00 0.00 178.15 177.40 2kkx h SER 99 N 0.81 0.49 0.96 1.72 0.87 -1.20 -1.66 113.55 115.53 2kkx h SER 99 Ca 0.16 -0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.41 2kkx h SER 99 Cb 0.46 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2kkx h SER 99 CO 0.02 0.47 -0.86 1.56 -0.53 0.00 0.00 176.83 177.49 2kkx h GLN 100 N 0.46 0.00 0.00 2.24 1.08 -1.00 -3.33 115.11 114.56 2kkx h GLN 100 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2kkx h GLN 100 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2kkx h GLN 100 CO -0.02 0.86 -0.98 0.00 -0.95 0.00 0.00 178.83 177.75 2kkx s LYS 102 N -3.02 2.81 0.12 0.00 -2.85 -0.63 -4.46 119.74 111.72 2kkx s LYS 102 Ca 0.08 0.97 -0.14 0.00 -1.00 0.00 0.00 55.97 55.88 2kkx s LYS 102 Cb 0.16 -1.97 0.03 0.00 -2.06 0.00 0.00 37.83 33.98 2kkx s LYS 102 CO 0.85 -1.20 0.35 -0.59 0.10 0.00 0.00 175.35 174.87 2kkx s PHE 103 N -3.03 -0.11 -0.57 1.78 -0.71 -0.55 -4.95 117.98 109.83 2kkx s PHE 103 Ca 0.59 -0.24 -0.26 0.00 -1.04 0.00 0.00 56.93 55.98 2kkx s PHE 103 Cb -0.14 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2kkx s PHE 103 CO 0.55 -0.67 2.03 0.45 -1.34 0.00 0.00 175.22 176.24 2kkx s SER 104 N -2.82 5.01 -0.38 1.98 0.15 -1.26 -1.94 113.70 114.43 2kkx s SER 104 Ca 0.04 0.57 -0.28 0.00 0.70 0.00 0.00 55.95 56.98 2kkx s SER 104 Cb 0.02 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2kkx s SER 104 CO -0.11 -2.54 1.85 -0.69 1.20 0.00 0.00 173.24 172.95 2kkx s VAL 105 N 10.06 3.42 -0.60 4.45 1.01 -0.60 -4.95 120.40 133.20 2kkx s VAL 105 Ca 0.77 0.40 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2kkx s VAL 105 Cb -0.14 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.74 2kkx s VAL 105 CO 0.22 -0.47 0.36 0.00 0.00 0.00 0.00 175.10 175.22 2kkx h PRO 107 N 6.25 0.11 0.00 0.00 0.13 -1.92 0.63 132.00 137.19 2kkx h PRO 107 Ca -0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2kkx h PRO 107 Cb 0.86 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2kkx h PRO 107 CO 0.71 0.07 -0.04 1.05 -0.23 0.00 0.00 178.00 179.56 2kkx h GLU 108 N 0.11 0.00 0.02 0.86 -0.00 -1.95 -0.30 114.58 113.32 2kkx h GLU 108 Ca 0.54 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.59 2kkx h GLU 108 Cb 1.10 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.80 2kkx h GLU 108 CO -0.75 0.04 -1.84 -2.13 -0.00 0.00 0.00 179.01 174.34 2kkx n ARG 109 N -3.12 0.66 0.26 1.06 0.63 -0.54 -3.95 116.66 111.66 2kkx n ARG 109 Ca 0.03 0.26 0.16 0.00 -0.92 0.00 0.00 57.85 57.38 2kkx n ARG 109 Cb 0.48 -1.75 0.56 0.00 0.45 0.00 0.00 32.46 32.20 2kkx n ARG 109 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2kkx h LEU 110 N 0.01 0.00 0.90 6.15 3.38 -0.78 -3.47 115.31 121.50 2kkx h LEU 110 Ca -0.34 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.26 2kkx h LEU 110 Cb 2.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.64 2kkx h LEU 110 CO 0.07 0.01 -0.33 0.00 0.09 0.00 0.00 178.44 178.28 2kkx n GLN 111 N -3.10 -1.50 -3.88 1.13 1.13 -0.14 -4.99 117.38 106.03 2kkx n GLN 111 Ca 0.01 1.11 -0.37 0.00 -1.94 0.00 0.00 57.00 55.82 2kkx n GLN 111 Cb 0.36 -5.49 -0.07 0.00 0.11 0.00 0.00 30.24 25.16 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 -0.76 1.37 0.31 0.00 0.04 -1.26 -4.72 135.00 129.98 2kkx s PRO 113 Ca 0.14 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2kkx s PRO 113 Cb -0.12 -1.75 0.59 0.00 0.04 0.00 0.00 34.50 33.26 2kkx s PRO 113 CO 0.03 -2.40 1.88 -0.07 0.04 0.00 0.00 177.00 176.48 2kkx h LEU 114 N -1.29 0.87 -1.16 -3.56 3.38 -1.96 -0.89 115.31 110.70 2kkx h LEU 114 Ca -0.45 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2kkx h LEU 114 Cb 1.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2kkx h LEU 114 CO 0.44 0.51 0.55 1.05 0.09 0.00 0.00 178.44 181.08 2kkx h GLU 115 N 0.96 1.11 0.00 1.13 4.11 -1.96 0.54 114.58 120.46 2kkx h GLU 115 Ca 0.43 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.77 2kkx h GLU 115 Cb 0.38 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2kkx h GLU 115 CO -0.19 0.74 -0.11 0.00 0.07 0.00 0.00 179.01 179.52 2kkx h ALA 116 N 1.46 1.20 0.00 1.06 0.00 -1.50 -2.73 119.26 118.76 2kkx h ALA 116 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kkx h ALA 116 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kkx h ALA 116 CO -0.07 0.14 -0.07 0.44 0.00 0.00 0.00 179.25 179.70 2kkx n ILE 117 N -3.52 1.25 -1.86 0.00 -5.35 -1.03 -4.77 119.36 104.08 2kkx n ILE 117 Ca -0.01 -1.45 -0.42 0.00 -0.27 0.00 0.00 62.75 60.60 2kkx n ILE 117 Cb 0.25 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 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 -1.76 4.18 -0.34 6.28 2.00 0.15 -4.29 119.66 125.89 2kkx s GLN 118 Ca 0.16 2.41 -0.29 0.00 -2.00 0.00 0.00 55.36 55.65 2kkx s GLN 118 Cb 0.14 -3.57 -0.01 0.00 0.80 0.00 0.00 33.01 30.38 2kkx s GLN 118 CO 0.02 -0.76 1.56 0.00 -0.50 0.00 0.00 175.29 175.60 2kkx n PRO 120 N 8.02 0.45 -0.06 0.00 -0.04 -1.26 -1.18 135.00 140.93 2kkx n PRO 120 Ca 0.19 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2kkx n PRO 120 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.20 0.00 0.52 2.04 -1.92 -3.40 117.51 114.94 2kkx h ILE 121 Ca 0.00 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2kkx h ILE 121 Cb 0.15 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2kkx h ILE 121 CO 0.00 0.07 -0.55 0.35 0.00 0.00 0.00 178.15 178.02 2kkx n THR 122 N -4.67 0.22 -2.77 -0.27 -2.24 -1.21 -4.96 114.28 98.38 2kkx n THR 122 Ca -0.06 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 2kkx n THR 122 Cb 0.20 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.87 -2.37 -4.01 3.22 7.99 -0.33 -5.01 117.00 114.61 2kkx n LEU 123 Ca 0.04 -0.19 -0.09 0.00 -0.01 0.00 0.00 56.01 55.77 2kkx n LEU 123 Cb 0.40 -2.74 -0.11 0.00 -0.11 0.00 0.00 43.42 40.86 2kkx n LEU 123 CO 0.35 0.09 -0.36 -1.83 -1.51 0.00 0.00 177.39 174.13 2kkx s GLU 124 N -5.40 0.40 -0.38 3.23 -1.05 -1.23 -4.99 118.70 109.29 2kkx s GLU 124 Ca 0.19 -0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 53.94 2kkx s GLU 124 Cb -0.08 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 2kkx s GLU 124 CO 0.24 -0.06 1.51 -1.14 0.95 0.00 0.00 175.26 176.75 2kkx s GLN 125 N -2.14 3.54 0.65 -4.83 -0.44 -1.26 -1.73 119.66 113.45 2kkx s GLN 125 Ca -0.09 1.10 -0.16 0.00 -2.50 0.00 0.00 55.36 53.70 2kkx s GLN 125 Cb -0.05 -4.06 -0.00 0.00 -1.64 0.00 0.00 33.01 27.26 2kkx s GLN 125 CO -0.03 -1.61 1.14 -1.25 0.50 0.00 0.00 175.29 174.04 2kkx s PRO 126 N 5.07 2.76 0.03 1.67 0.04 -1.26 -4.95 135.00 138.36 2kkx s PRO 126 Ca 0.66 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 2kkx s PRO 126 Cb -0.16 -1.93 -0.34 0.00 0.04 0.00 0.00 34.50 32.10 2kkx s PRO 126 CO 0.32 -1.30 1.00 1.05 0.04 0.00 0.00 177.00 178.11 2kkx h GLU 127 N 0.18 0.47 -4.02 4.56 4.11 -1.94 -3.43 114.58 114.53 2kkx h GLU 127 Ca -0.48 -0.81 -0.24 0.00 0.07 0.00 0.00 59.36 57.91 2kkx h GLU 127 Cb 1.26 0.30 -0.26 0.00 0.50 0.00 0.00 28.75 30.56 2kkx h GLU 127 CO 0.54 1.38 -0.72 -1.59 0.07 0.00 0.00 179.01 178.69 2kkx s LYS 128 N -2.61 0.23 0.15 1.06 -2.85 -1.26 -1.55 119.74 112.91 2kkx s LYS 128 Ca -0.08 -0.28 -0.24 0.00 -1.00 0.00 0.00 55.97 54.37 2kkx s LYS 128 Cb 0.05 -0.10 0.06 0.00 -2.06 0.00 0.00 37.83 35.78 2kkx s LYS 128 CO 0.93 0.02 0.82 0.20 0.10 0.00 0.00 175.35 177.42 2kkx s GLY 129 N -0.56 -0.31 0.19 0.59 0.00 -0.82 -1.53 107.32 104.88 2kkx s GLY 129 Ca -0.05 0.26 0.11 0.00 0.00 0.00 0.00 44.72 45.04 2kkx s GLY 129 CO -0.00 0.07 -0.22 -0.26 0.00 0.00 0.00 173.10 172.69 2kkx s ILE 130 N -3.49 2.19 -0.24 0.90 -4.36 0.23 -1.48 121.20 114.95 2kkx s ILE 130 Ca 0.09 -2.04 -0.13 0.00 -0.26 0.00 0.00 60.65 58.30 2kkx s ILE 130 Cb -0.02 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2kkx s ILE 130 CO -0.01 -0.22 0.28 -0.36 0.24 0.00 0.00 174.94 174.87 2kkx s PHE 131 N -1.90 3.30 -0.15 1.37 0.40 -1.24 -1.08 117.98 118.69 2kkx s PHE 131 Ca 0.20 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 2kkx s PHE 131 Cb -0.07 -2.42 0.02 0.00 0.51 0.00 0.00 43.02 41.06 2kkx s PHE 131 CO 0.09 -0.06 -0.17 0.08 0.70 0.00 0.00 175.22 175.87 2kkx s VAL 132 N 1.47 1.76 -0.14 -0.44 1.01 -0.63 -0.89 120.40 122.54 2kkx s VAL 132 Ca 0.12 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 2kkx s VAL 132 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2kkx s VAL 132 CO 0.08 0.49 1.48 -1.59 0.00 0.00 0.00 175.10 175.55 2kkx s LYS 133 N 1.23 4.13 -1.19 2.72 -2.85 0.15 -1.84 119.74 122.09 2kkx s LYS 133 Ca 0.01 1.85 -0.21 0.00 -1.00 0.00 0.00 55.97 56.62 2kkx s LYS 133 Cb -0.14 -3.90 -0.02 0.00 -2.06 0.00 0.00 37.83 31.71 2kkx s LYS 133 CO -0.08 -0.87 1.83 1.21 0.10 0.00 0.00 175.35 177.54 2kkx s ASN 134 N 2.90 5.77 0.38 0.03 3.84 0.02 -4.76 114.94 123.13 2kkx s ASN 134 Ca 0.65 -1.83 0.15 0.00 0.21 0.00 0.00 52.86 52.04 2kkx s ASN 134 Cb -0.27 -2.58 0.75 0.00 -0.55 0.00 0.00 41.25 38.60 2kkx s ASN 134 CO 0.23 -2.28 1.80 -1.28 -2.79 0.00 0.00 177.10 172.79 2kkx h SER 135 N 9.13 0.00 -0.37 -4.21 0.87 -1.88 -0.49 113.55 116.59 2kkx h SER 135 Ca 0.29 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 2kkx h SER 135 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2kkx h SER 135 CO 1.32 0.38 -0.09 -0.78 -0.53 0.00 0.00 176.83 177.13 2kkx h ASP 136 N 0.00 0.79 0.22 6.23 3.58 -1.98 -3.31 116.42 121.95 2kkx h ASP 136 Ca -0.00 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 2kkx h ASP 136 Cb 0.73 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2kkx h ASP 136 CO 0.05 0.91 -0.11 1.23 -2.88 0.00 0.00 179.24 178.44 2kkx h GLY 137 N 0.98 -0.31 -2.57 -0.78 0.00 -1.87 -3.47 103.07 95.05 2kkx h GLY 137 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2kkx h GLY 137 CO 0.04 -0.11 -0.02 -1.26 0.00 0.00 0.00 176.54 175.18 2kkx n SER 138 N -3.58 -0.10 -1.68 0.19 2.88 -0.86 -4.97 113.62 105.49 2kkx n SER 138 Ca -0.04 -0.83 -0.19 0.00 -1.33 0.00 0.00 58.87 56.49 2kkx n SER 138 Cb 0.12 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.56 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kkx n ASP 139 N -0.08 -5.34 -4.63 -3.46 9.92 -0.25 -4.95 116.55 107.75 2kkx n ASP 139 Ca -0.02 0.31 -0.42 0.00 -0.53 0.00 0.00 54.79 54.13 2kkx n ASP 139 Cb 0.46 -4.47 -0.04 0.00 -0.64 0.00 0.00 41.12 36.43 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 -2.78 4.75 0.14 2.53 1.01 -1.03 -3.43 120.40 121.58 2kkx s VAL 140 Ca 0.00 1.51 -0.25 0.00 0.00 0.00 0.00 61.98 63.24 2kkx s VAL 140 Cb 0.00 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2kkx s VAL 140 CO 0.00 -0.22 0.77 0.00 0.00 0.00 0.00 175.10 175.65 2kkx s THR 142 N -0.92 1.33 -0.42 0.00 2.01 -0.77 -4.66 115.64 112.22 2kkx s THR 142 Ca 0.36 -1.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 2kkx s THR 142 Cb -0.22 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.12 2kkx s THR 142 CO 0.25 0.10 0.78 -0.22 -0.69 0.00 0.00 174.62 174.84 2kkx s LEU 143 N -1.10 4.22 -0.11 4.42 2.96 -1.26 -1.60 118.68 126.20 2kkx s LEU 143 Ca 0.04 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2kkx s LEU 143 Cb -0.08 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 2kkx s LEU 143 CO 0.01 -0.85 0.03 -0.36 -1.32 0.00 0.00 176.35 173.87 2kkx s PHE 144 N 3.21 3.24 0.29 5.38 0.08 -0.24 -4.03 117.98 125.91 2kkx s PHE 144 Ca 0.30 0.20 -0.30 0.00 0.12 0.00 0.00 56.93 57.25 2kkx s PHE 144 Cb -0.12 -1.86 -0.12 0.00 -0.57 0.00 0.00 43.02 40.34 2kkx s PHE 144 CO 0.21 0.44 1.57 -3.47 -0.10 0.00 0.00 175.22 173.87 2kkx n ASP 145 N 2.38 3.73 -0.18 1.36 2.03 -1.26 -0.60 116.55 124.01 2kkx n ASP 145 Ca -0.18 1.15 -0.06 0.00 0.52 0.00 0.00 54.79 56.22 2kkx n ASP 145 Cb 0.54 -1.58 0.04 0.00 -0.72 0.00 0.00 41.12 39.39 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 4.59 0.68 -0.08 -1.67 0.00 -1.57 -0.64 119.26 120.57 2kkx h ALA 146 Ca -0.47 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 2kkx h ALA 146 Cb 1.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kkx h ALA 146 CO 0.78 0.07 -0.72 0.00 0.00 0.00 0.00 179.25 179.37 2kkx h ALA 147 N 1.22 0.59 -0.06 0.00 0.00 -1.91 -2.65 119.26 116.45 2kkx h ALA 147 Ca 0.21 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2kkx h ALA 147 Cb -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kkx h ALA 147 CO -0.07 0.76 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 2kkx h ALA 148 N 0.93 0.09 -0.35 0.00 0.00 -1.83 -1.44 119.26 116.66 2kkx h ALA 148 Ca -0.03 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2kkx h ALA 148 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2kkx h ALA 148 CO 0.12 -0.10 -0.38 0.35 0.00 0.00 0.00 179.25 179.25 2kkx h PHE 149 N -0.28 1.06 -0.20 0.00 3.57 -1.23 -2.32 116.94 117.54 2kkx h PHE 149 Ca 0.01 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 2kkx h PHE 149 Cb 0.58 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2kkx h PHE 149 CO 0.09 1.14 0.00 1.03 -2.23 0.00 0.00 178.31 178.34 2kkx h SER 150 N 0.67 0.26 -0.04 0.41 0.87 -1.52 -1.41 113.55 112.79 2kkx h SER 150 Ca 0.05 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kkx h SER 150 Cb 0.97 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2kkx h SER 150 CO 0.09 0.31 0.01 -0.09 -0.53 0.00 0.00 176.83 176.63 2kkx h ARG 151 N 0.28 0.07 -0.57 2.24 9.65 -0.99 -1.04 114.38 124.02 2kkx h ARG 151 Ca 0.07 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 2kkx h ARG 151 Cb 0.19 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 2kkx h ARG 151 CO 0.00 0.28 0.29 -0.07 2.80 0.00 0.00 179.97 183.28 2kkx h LEU 152 N -0.15 0.41 -0.29 3.80 3.38 -0.98 -0.53 115.31 120.96 2kkx h LEU 152 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kkx h LEU 152 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kkx h LEU 152 CO 0.00 0.28 0.15 0.58 0.09 0.00 0.00 178.44 179.54 2kkx h VAL 153 N 0.55 1.14 -0.09 1.22 2.07 -1.23 -0.04 116.25 119.87 2kkx h VAL 153 Ca 0.26 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2kkx h VAL 153 Cb 0.18 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2kkx h VAL 153 CO -0.18 0.14 -0.13 1.23 0.02 0.00 0.00 177.57 178.64 2kkx h GLY 154 N 0.34 0.15 1.84 2.17 0.00 -0.71 -0.97 103.07 105.89 2kkx h GLY 154 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2kkx h GLY 154 CO -0.01 0.08 -0.13 0.83 0.00 0.00 0.00 176.54 177.31 2kkx h GLU 155 N 0.14 0.00 -0.21 4.80 4.39 -0.90 -3.48 114.58 119.32 2kkx h GLU 155 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 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 0.02 0.00 -0.00 0.41 -1.16 0.00 0.00 179.01 178.28 2kkx n GLY 156 N 1.28 0.47 3.88 -3.84 0.00 -0.37 -5.07 105.19 101.54 2kkx n GLY 156 Ca 0.05 -0.85 -0.31 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 -0.23 4.12 0.00 0.99 1.43 -0.12 -5.03 118.68 119.85 2kkx s LEU 157 Ca 0.00 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 2kkx s LEU 157 Cb -0.00 -3.72 0.24 0.00 0.03 0.00 0.00 46.19 42.74 2kkx s LEU 157 CO 0.00 -0.12 1.20 -0.81 0.23 0.00 0.00 176.35 176.85 2kkx n PRO 158 N -0.32 -1.87 -1.68 1.29 -0.04 -1.26 -4.50 135.00 126.62 2kkx n PRO 158 Ca 0.01 -1.88 -0.45 0.00 -0.04 0.00 0.00 63.50 61.14 2kkx n PRO 158 Cb 0.53 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2kkx n PRO 158 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kkx n HIS 159 N -4.11 2.42 0.83 0.54 -0.00 -0.35 -4.86 115.22 109.68 2kkx n HIS 159 Ca 0.16 0.10 0.07 0.00 -0.00 0.00 0.00 57.72 58.05 2kkx n HIS 159 Cb 0.56 -2.62 0.41 0.00 -0.00 0.00 0.00 29.99 28.33 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 4.56 0.38 -0.01 1.57 -0.04 -1.26 -0.93 135.00 139.26 2kkx n PRO 160 Ca 0.18 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2kkx n PRO 160 Cb 0.31 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.09 0.82 -0.47 1.53 4.77 -1.26 -4.88 117.00 116.43 2kkx n LEU 161 Ca 0.10 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2kkx n LEU 161 Cb 0.07 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2kkx n LEU 161 CO 0.09 -0.52 0.37 1.07 -1.33 0.00 0.00 177.39 177.08 2kkx n THR 162 N -3.29 0.00 -1.64 -5.08 5.66 -1.23 -4.96 114.28 103.74 2kkx n THR 162 Ca -0.04 -0.25 -0.19 0.00 -3.05 0.00 0.00 64.05 60.52 2kkx n THR 162 Cb 0.13 1.13 -0.08 0.00 -1.55 0.00 0.00 70.33 69.96 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 -0.07 -1.37 -2.62 1.09 5.12 -0.11 -4.95 116.66 113.76 2kkx n ARG 163 Ca 0.10 1.16 -0.33 0.00 -1.93 0.00 0.00 57.85 56.85 2kkx n ARG 163 Cb 0.45 -5.50 -0.05 0.00 -1.16 0.00 0.00 32.46 26.20 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 -3.77 4.08 -0.13 5.56 0.41 -1.26 -4.47 118.70 119.13 2kkx s GLU 164 Ca 0.00 1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 55.29 2kkx s GLU 164 Cb 0.00 -2.17 -0.06 0.00 -1.78 0.00 0.00 34.13 30.13 2kkx s GLU 164 CO 0.00 -0.15 1.96 -1.25 -0.49 0.00 0.00 175.26 175.34 2kkx s PRO 165 N -3.63 3.68 0.19 0.39 0.04 -1.26 -1.21 135.00 133.21 2kkx s PRO 165 Ca 0.60 2.14 -0.31 0.00 0.04 0.00 0.00 61.00 63.47 2kkx s PRO 165 Cb -0.09 -4.20 -0.11 0.00 0.04 0.00 0.00 34.50 30.14 2kkx s PRO 165 CO 0.22 -1.46 1.59 0.42 0.04 0.00 0.00 177.00 177.81 2kkx s ILE 166 N 6.05 2.46 0.10 0.56 1.01 -1.26 -4.93 121.20 125.19 2kkx s ILE 166 Ca 0.88 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.84 2kkx s ILE 166 Cb -0.34 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2kkx s ILE 166 CO 0.36 0.03 0.06 0.28 0.00 0.00 0.00 174.94 175.67 2kkx s THR 167 N 0.97 0.15 0.33 2.92 -1.32 -1.26 -5.01 115.64 112.41 2kkx s THR 167 Ca 0.70 -1.74 0.35 0.00 -1.21 0.00 0.00 61.69 59.78 2kkx s THR 167 Cb -0.45 -1.74 0.37 0.00 -1.51 0.00 0.00 72.50 69.17 2kkx s THR 167 CO 0.34 -0.67 2.10 0.00 -2.21 0.00 0.00 174.62 174.17 2kkx h ALA 168 N 2.93 1.07 -0.58 11.08 0.00 -1.92 -3.05 119.26 128.78 2kkx h ALA 168 Ca -0.34 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2kkx h ALA 168 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2kkx h ALA 168 CO 0.60 0.05 0.12 0.77 0.00 0.00 0.00 179.25 180.79 2kkx h SER 169 N 0.00 0.90 0.56 0.00 0.02 -1.99 -3.20 113.55 109.85 2kkx h SER 169 Ca -0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2kkx h SER 169 Cb 0.35 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kkx h SER 169 CO 0.01 0.92 -0.22 2.30 -1.14 0.00 0.00 176.83 178.70 2kkx n ILE 170 N -4.34 0.00 -3.51 3.27 -5.35 -1.15 -4.80 119.36 103.48 2kkx n ILE 170 Ca 0.03 -0.03 -0.37 0.00 -0.27 0.00 0.00 62.75 62.10 2kkx n ILE 170 Cb 0.26 -0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.05 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -2.78 5.17 0.40 7.28 2.07 -1.21 -0.67 121.20 131.45 2kkx s ILE 171 Ca 0.19 0.73 0.05 0.00 -1.41 0.00 0.00 60.65 60.21 2kkx s ILE 171 Cb 0.19 -3.68 -0.02 0.00 0.13 0.00 0.00 42.46 39.07 2kkx s ILE 171 CO 0.57 0.48 0.19 0.68 -1.91 0.00 0.00 174.94 174.95 2kkx s VAL 172 N -0.35 0.36 0.33 4.00 -7.23 -0.07 -4.95 120.40 112.49 2kkx s VAL 172 Ca 0.22 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2kkx s VAL 172 Cb -0.15 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2kkx s VAL 172 CO 0.09 0.00 0.42 -0.54 -0.31 0.00 0.00 175.10 174.76 2kkx s LYS 173 N -3.59 3.03 0.32 4.82 1.02 -1.26 -3.61 119.74 120.47 2kkx s LYS 173 Ca 0.28 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2kkx s LYS 173 Cb 0.02 -2.73 0.54 0.00 -0.52 0.00 0.00 37.83 35.13 2kkx s LYS 173 CO 0.19 0.09 1.93 1.12 -0.92 0.00 0.00 175.35 177.75 2kkx h HIS 174 N 1.00 0.80 0.00 3.18 2.07 -1.88 -1.98 115.15 118.34 2kkx h HIS 174 Ca -0.46 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2kkx h HIS 174 Cb 1.25 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.98 2kkx h HIS 174 CO 0.45 0.59 -0.72 1.49 -3.07 0.00 0.00 177.93 176.67 2kkx h GLU 175 N 0.80 0.00 0.00 5.12 4.81 -1.97 -3.32 114.58 120.02 2kkx h GLU 175 Ca 0.20 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2kkx h GLU 175 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2kkx h GLU 175 CO -0.03 0.00 -0.56 1.49 -0.73 0.00 0.00 179.01 179.19 2kkx h GLU 176 N 0.00 0.00 -6.20 1.92 4.81 -1.81 -3.43 114.58 109.87 2kkx h GLU 176 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 2kkx h GLU 176 Cb 0.78 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 2kkx h GLU 176 CO 0.00 0.56 -0.49 0.00 -0.73 0.00 0.00 179.01 178.34 2kkx s ILE 178 N -2.15 0.45 0.19 0.00 -0.00 -0.21 -4.81 121.20 114.66 2kkx s ILE 178 Ca 0.35 -1.92 -0.30 0.00 -0.00 0.00 0.00 60.65 58.78 2kkx s ILE 178 Cb -0.08 -1.90 -0.08 0.00 -0.00 0.00 0.00 42.46 40.40 2kkx s ILE 178 CO 0.26 -0.65 1.20 -0.72 -0.00 0.00 0.00 174.94 175.04 2kkx s TYR 179 N -3.80 3.42 -0.13 1.37 1.13 -1.26 -0.97 117.35 117.11 2kkx s TYR 179 Ca 0.19 1.41 0.02 0.00 -1.41 0.00 0.00 57.07 57.28 2kkx s TYR 179 Cb 0.07 -3.44 0.00 0.00 -1.10 0.00 0.00 41.96 37.49 2kkx s TYR 179 CO -0.01 -1.24 -0.21 0.34 -2.51 0.00 0.00 175.55 171.93 2kkx s ASP 180 N 0.14 3.25 0.02 -0.18 -1.08 -0.61 -4.88 116.67 113.33 2kkx s ASP 180 Ca 0.53 -0.55 -0.19 0.00 -0.52 0.00 0.00 52.55 51.82 2kkx s ASP 180 Cb -0.33 -1.46 -0.23 0.00 -1.46 0.00 0.00 42.92 39.44 2kkx s ASP 180 CO 0.37 0.11 1.13 -0.78 0.52 0.00 0.00 175.17 176.51 2kkx h ASP 181 N 7.08 0.58 0.95 -0.34 3.58 -1.94 0.14 116.42 126.48 2kkx h ASP 181 Ca -0.28 -0.74 -0.15 0.00 0.42 0.00 0.00 57.03 56.28 2kkx h ASP 181 Cb 1.21 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2kkx h ASP 181 CO 0.53 1.25 -0.70 0.00 -2.88 0.00 0.00 179.24 177.43 2kkx h THR 182 N -0.02 1.35 -0.04 2.25 1.03 -1.96 -2.08 112.91 113.43 2kkx h THR 182 Ca -0.08 -2.54 -0.14 0.00 -0.01 0.00 0.00 66.41 63.65 2kkx h THR 182 Cb 1.33 2.43 -0.01 0.00 -1.07 0.00 0.00 68.15 70.83 2kkx h THR 182 CO 0.13 0.69 -0.61 0.03 -0.01 0.00 0.00 175.52 175.75 2kkx h ARG 183 N 0.00 0.15 -0.13 0.00 2.47 -2.00 -3.47 114.38 111.40 2kkx h ARG 183 Ca -0.01 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.55 2kkx h ARG 183 Cb 1.37 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.68 2kkx h ARG 183 CO 0.09 0.71 -0.05 0.41 0.56 0.00 0.00 179.97 181.69 2kkx n GLY 184 N 0.25 0.59 3.23 0.04 0.00 -0.06 -5.01 105.19 104.24 2kkx n GLY 184 Ca -0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.49 -0.18 -0.03 1.61 0.02 -0.64 -4.97 114.94 108.26 2kkx s ASN 185 Ca 0.00 0.06 -0.30 0.00 -1.02 0.00 0.00 52.86 51.60 2kkx s ASN 185 Cb 0.00 0.31 -0.07 0.00 0.02 0.00 0.00 41.25 41.51 2kkx s ASN 185 CO 0.00 -0.45 1.84 -0.36 0.02 0.00 0.00 177.10 178.15 2kkx s PHE 186 N -1.36 1.59 0.43 2.20 0.40 -1.26 -1.57 117.98 118.42 2kkx s PHE 186 Ca -0.13 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2kkx s PHE 186 Cb -0.05 -4.08 -0.02 0.00 0.51 0.00 0.00 43.02 39.37 2kkx s PHE 186 CO 0.04 -4.68 0.09 0.96 0.70 0.00 0.00 175.22 172.34 2kkx s ILE 187 N 4.52 0.78 0.34 0.64 -4.36 -0.14 -1.17 121.20 121.81 2kkx s ILE 187 Ca 0.82 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 59.07 2kkx s ILE 187 Cb -0.37 -2.32 -0.08 0.00 1.25 0.00 0.00 42.46 40.93 2kkx s ILE 187 CO 0.36 0.00 0.75 -0.63 0.24 0.00 0.00 174.94 175.65 2kkx s ILE 188 N -3.11 4.70 0.71 8.37 -1.09 -1.22 -1.04 121.20 128.52 2kkx s ILE 188 Ca 0.19 0.87 -0.14 0.00 -2.23 0.00 0.00 60.65 59.34 2kkx s ILE 188 Cb 0.02 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2kkx s ILE 188 CO 0.12 -0.27 1.15 -0.54 -1.23 0.00 0.00 174.94 174.17 2kkx s LYS 189 N -3.20 2.36 -0.26 2.79 1.02 -1.09 -4.83 119.74 116.53 2kkx s LYS 189 Ca 0.54 1.55 0.00 0.00 0.02 0.00 0.00 55.97 58.08 2kkx s LYS 189 Cb -0.10 -1.88 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 2kkx s LYS 189 CO 0.21 -1.62 -0.24 0.41 -0.92 0.00 0.00 175.35 173.18 2kkx n GLY 190 N -0.11 -0.37 0.00 -3.33 0.00 -1.26 -5.07 105.19 95.06 2kkx n GLY 190 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31