#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ikk s GLU 85 N 0.00 0.62 -0.32 -2.82 -1.05 -1.26 -4.92 118.70 108.95 2ikk s GLU 85 Ca 0.00 1.29 -0.19 0.00 -0.15 0.00 0.00 54.97 55.92 2ikk s GLU 85 Cb 0.00 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.17 2ikk s GLU 85 CO 0.00 -0.17 0.58 -0.80 0.95 0.00 0.00 175.26 175.82 2ikk s ASN 86 N 2.23 6.41 -0.02 0.83 0.01 -1.26 -1.49 114.94 121.66 2ikk s ASN 86 Ca -0.08 0.24 -0.16 0.00 -0.71 0.00 0.00 52.86 52.15 2ikk s ASN 86 Cb -0.08 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 2ikk s ASN 86 CO -0.19 -0.48 0.44 -0.76 -1.51 0.00 0.00 177.10 174.60 2ikk s LEU 87 N 2.52 4.43 0.66 0.60 2.01 -0.06 -4.92 118.68 123.93 2ikk s LEU 87 Ca 0.22 0.95 -0.12 0.00 0.01 0.00 0.00 54.13 55.20 2ikk s LEU 87 Cb -0.15 -2.64 -0.01 0.00 0.01 0.00 0.00 46.19 43.40 2ikk s LEU 87 CO 0.13 0.24 1.05 -0.31 1.01 0.00 0.00 176.35 178.47 2ikk s TYR 88 N -0.68 3.23 -0.46 0.29 2.02 -1.26 -0.52 117.35 119.97 2ikk s TYR 88 Ca 0.25 1.40 0.06 0.00 -0.37 0.00 0.00 57.07 58.41 2ikk s TYR 88 Cb -0.17 -2.85 0.22 0.00 -0.40 0.00 0.00 41.96 38.76 2ikk s TYR 88 CO 0.13 -1.07 0.50 1.19 -1.57 0.00 0.00 175.55 174.73 2ikk n PHE 89 N -2.88 0.35 -3.15 2.71 0.99 -0.15 -4.78 117.46 110.54 2ikk n PHE 89 Ca 0.07 -3.63 0.05 0.00 -0.00 0.00 0.00 57.45 53.94 2ikk n PHE 89 Cb 0.54 -0.22 -0.00 0.00 -1.00 0.00 0.00 39.48 38.80 2ikk n PHE 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 2ikk s HIS 101 N -1.02 -0.50 -0.22 1.38 2.46 -1.26 -4.42 115.29 111.71 2ikk s HIS 101 Ca 0.34 0.33 -0.11 0.00 0.47 0.00 0.00 55.06 56.09 2ikk s HIS 101 Cb 0.11 0.10 -0.05 0.00 -0.13 0.00 0.00 32.58 32.61 2ikk s HIS 101 CO -0.13 -0.29 0.18 -1.58 -2.47 0.00 0.00 174.74 170.45 2ikk s HIS 102 N 2.95 3.36 -0.26 3.88 5.65 -0.50 -4.03 115.29 126.35 2ikk s HIS 102 Ca 0.22 0.32 -0.29 0.00 0.25 0.00 0.00 55.06 55.56 2ikk s HIS 102 Cb -0.03 -2.26 0.01 0.00 -1.18 0.00 0.00 32.58 29.12 2ikk s HIS 102 CO -0.21 0.15 1.04 0.08 -0.65 0.00 0.00 174.74 175.15 2ikk s VAL 103 N 0.81 4.63 -0.09 0.89 1.01 -1.26 -0.88 120.40 125.50 2ikk s VAL 103 Ca 0.09 1.92 -0.24 0.00 0.00 0.00 0.00 61.98 63.76 2ikk s VAL 103 Cb -0.13 -4.34 -0.20 0.00 0.00 0.00 0.00 36.38 31.71 2ikk s VAL 103 CO 0.03 -0.27 0.80 -0.07 0.00 0.00 0.00 175.10 175.59 2ikk h LEU 104 N 9.65 -0.04 -7.61 3.92 4.07 -0.78 -3.48 115.31 121.04 2ikk h LEU 104 Ca -0.20 -0.66 0.15 0.00 0.08 0.00 0.00 57.88 57.26 2ikk h LEU 104 Cb 1.06 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.73 2ikk h LEU 104 CO 0.99 0.71 0.45 -0.94 -1.08 0.00 0.00 178.44 178.58 2ikk s SER 105 N -5.89 -0.22 -0.27 -0.43 1.04 -1.10 -5.01 113.70 101.82 2ikk s SER 105 Ca -0.15 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 55.77 2ikk s SER 105 Cb -0.01 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.71 2ikk s SER 105 CO 0.57 -0.93 0.64 -1.38 0.98 0.00 0.00 173.24 173.12 2ikk s HIS 106 N -3.35 -1.07 0.04 5.02 -3.43 -1.25 -1.12 115.29 110.12 2ikk s HIS 106 Ca 0.11 2.06 0.02 0.00 -0.80 0.00 0.00 55.06 56.45 2ikk s HIS 106 Cb -0.02 0.62 -0.02 0.00 -1.43 0.00 0.00 32.58 31.73 2ikk s HIS 106 CO 0.01 -0.54 -0.08 -0.51 -2.00 0.00 0.00 174.74 171.62 2ikk s ASP 107 N 1.96 0.87 -0.22 7.38 1.01 -1.05 -4.97 116.67 121.64 2ikk s ASP 107 Ca -0.09 -0.52 -0.15 0.00 0.71 0.00 0.00 52.55 52.51 2ikk s ASP 107 Cb -0.07 0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 2ikk s ASP 107 CO -0.19 -0.18 0.35 -0.63 0.21 0.00 0.00 175.17 174.74 2ikk s ILE 108 N -1.28 5.22 0.06 0.77 1.01 -1.26 -0.42 121.20 125.30 2ikk s ILE 108 Ca -0.09 0.59 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 2ikk s ILE 108 Cb -0.09 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2ikk s ILE 108 CO 0.00 0.25 -0.04 0.27 0.00 0.00 0.00 174.94 175.43 2ikk s ILE 109 N 1.38 0.35 0.41 2.92 -4.36 -0.50 -4.95 121.20 116.46 2ikk s ILE 109 Ca 0.16 -1.75 -0.25 0.00 -0.26 0.00 0.00 60.65 58.55 2ikk s ILE 109 Cb -0.15 -1.44 -0.08 0.00 1.25 0.00 0.00 42.46 42.04 2ikk s ILE 109 CO 0.08 -0.91 1.23 -2.84 0.24 0.00 0.00 174.94 172.74 2ikk s PRO 110 N -3.64 3.97 0.09 0.37 0.02 -1.26 -0.63 135.00 133.91 2ikk s PRO 110 Ca 0.06 1.99 -0.31 0.00 0.02 0.00 0.00 61.00 62.76 2ikk s PRO 110 Cb 0.05 -2.69 -0.07 0.00 0.02 0.00 0.00 34.50 31.81 2ikk s PRO 110 CO -0.08 -0.43 1.42 0.00 -0.33 0.00 0.00 177.00 177.58 2ikk s ALA 111 N -1.35 3.60 0.99 -1.55 0.00 0.10 -4.85 121.76 118.71 2ikk s ALA 111 Ca 0.58 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 2ikk s ALA 111 Cb -0.34 -3.57 0.18 0.00 0.00 0.00 0.00 23.12 19.40 2ikk s ALA 111 CO 0.43 -0.73 1.11 -1.54 0.00 0.00 0.00 175.76 175.03 2ikk s SER 112 N 1.40 2.74 0.13 0.00 1.04 -1.26 -2.91 113.70 114.85 2ikk s SER 112 Ca 0.65 1.03 -0.19 0.00 0.48 0.00 0.00 55.95 57.92 2ikk s SER 112 Cb -0.36 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.13 2ikk s SER 112 CO 0.30 -3.04 1.73 0.11 0.98 0.00 0.00 173.24 173.32 2ikk h LYS 113 N -1.83 0.12 -0.06 4.02 1.57 -1.99 0.74 116.57 119.13 2ikk h LYS 113 Ca -0.53 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 2ikk h LYS 113 Cb 1.33 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2ikk h LYS 113 CO 0.57 0.08 -0.47 -1.00 -0.57 0.00 0.00 179.45 178.06 2ikk h PRO 114 N 0.12 0.16 -0.32 3.15 0.13 -1.99 -0.02 132.00 133.24 2ikk h PRO 114 Ca 0.11 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 2ikk h PRO 114 Cb 0.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 2ikk h PRO 114 CO -0.15 0.60 -0.02 0.82 -0.23 0.00 0.00 178.00 179.02 2ikk h ILE 115 N 0.13 1.27 -0.05 -3.56 1.08 -1.81 -2.12 117.51 112.44 2ikk h ILE 115 Ca 0.01 -1.01 -0.06 0.00 -0.39 0.00 0.00 64.86 63.41 2ikk h ILE 115 Cb 0.88 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2ikk h ILE 115 CO 0.07 0.33 -0.26 0.00 -0.69 0.00 0.00 178.15 177.60 2ikk h ALA 116 N 0.83 1.48 -0.24 1.87 0.00 -0.56 -1.23 119.26 121.40 2ikk h ALA 116 Ca 0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2ikk h ALA 116 Cb 0.48 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ikk h ALA 116 CO 0.02 0.38 -0.34 0.93 0.00 0.00 0.00 179.25 180.24 2ikk h GLU 117 N 0.08 0.66 -0.40 0.00 3.07 -0.90 -1.49 114.58 115.61 2ikk h GLU 117 Ca 0.01 -0.38 -0.12 0.00 -0.50 0.00 0.00 59.36 58.37 2ikk h GLU 117 Cb 0.51 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2ikk h GLU 117 CO 0.04 1.00 -0.23 -0.22 -1.40 0.00 0.00 179.01 178.20 2ikk h LYS 118 N 0.37 0.79 -0.01 2.33 3.64 -1.07 -3.05 116.57 119.57 2ikk h LYS 118 Ca 0.03 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2ikk h LYS 118 Cb 0.92 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2ikk h LYS 118 CO 0.08 0.94 -0.09 1.28 -2.27 0.00 0.00 179.45 179.39 2ikk n LEU 119 N -4.11 1.52 -3.68 5.20 4.77 -0.49 -4.83 117.00 115.37 2ikk n LEU 119 Ca 0.00 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.25 2ikk n LEU 119 Cb 0.44 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2ikk n LEU 119 CO 0.45 0.26 -0.08 0.00 -1.33 0.00 0.00 177.39 176.68 2ikk n GLN 120 N 0.03 -3.19 -4.39 3.23 1.13 -0.62 -4.74 117.38 108.83 2ikk n GLN 120 Ca 0.16 0.56 -0.19 0.00 -1.94 0.00 0.00 57.00 55.59 2ikk n GLN 120 Cb 0.38 -4.81 -0.10 0.00 0.11 0.00 0.00 30.24 25.82 2ikk n GLN 120 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2ikk s ILE 121 N -3.62 1.15 0.79 5.09 -4.36 -0.85 -5.07 121.20 114.34 2ikk s ILE 121 Ca 0.20 -2.03 -0.14 0.00 -0.26 0.00 0.00 60.65 58.43 2ikk s ILE 121 Cb -0.06 -2.57 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2ikk s ILE 121 CO 0.83 -0.16 1.21 -1.10 0.24 0.00 0.00 174.94 175.96 2ikk s GLN 122 N -3.87 1.73 0.36 0.37 -0.21 -1.26 -4.73 119.66 112.05 2ikk s GLN 122 Ca 0.33 1.76 -0.27 0.00 0.02 0.00 0.00 55.36 57.20 2ikk s GLN 122 Cb 0.07 -1.79 -0.12 0.00 1.00 0.00 0.00 33.01 32.18 2ikk s GLN 122 CO 0.12 -2.15 1.20 -2.30 -2.12 0.00 0.00 175.29 170.05 2ikk n PRO 123 N -3.19 1.85 -1.34 2.91 -0.02 -1.26 -2.25 135.00 131.70 2ikk n PRO 123 Ca 0.13 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2ikk n PRO 123 Cb 0.50 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 2ikk n PRO 123 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ikk n GLU 124 N 0.41 -1.46 -1.80 -0.52 -0.58 -1.14 -4.95 120.64 110.60 2ikk n GLU 124 Ca 0.06 0.89 -0.39 0.00 -0.42 0.00 0.00 57.16 57.31 2ikk n GLU 124 Cb 0.37 -5.19 0.03 0.00 -0.57 0.00 0.00 31.44 26.08 2ikk n GLU 124 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ikk s SER 125 N -2.51 5.43 0.12 1.62 0.01 -0.95 -3.93 113.70 113.49 2ikk s SER 125 Ca 0.00 2.79 -0.31 0.00 1.31 0.00 0.00 55.95 59.74 2ikk s SER 125 Cb 0.00 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2ikk s SER 125 CO 0.00 -1.46 1.49 -2.16 0.41 0.00 0.00 173.24 171.52 2ikk s PRO 126 N -2.79 4.26 0.06 12.44 0.04 -1.26 0.03 135.00 147.78 2ikk s PRO 126 Ca 0.69 2.21 0.04 0.00 0.04 0.00 0.00 61.00 63.98 2ikk s PRO 126 Cb -0.41 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 2ikk s PRO 126 CO 0.49 -0.55 -0.12 0.14 0.04 0.00 0.00 177.00 177.01 2ikk s VAL 127 N 1.39 0.88 -0.19 -0.36 -7.23 0.19 -1.88 120.40 113.21 2ikk s VAL 127 Ca 0.68 -1.19 -0.25 0.00 -1.81 0.00 0.00 61.98 59.40 2ikk s VAL 127 Cb -0.39 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 2ikk s VAL 127 CO 0.31 -0.28 0.83 -0.69 -0.31 0.00 0.00 175.10 174.96 2ikk s VAL 128 N -1.29 4.87 -0.50 1.32 1.01 0.45 -1.40 120.40 124.85 2ikk s VAL 128 Ca -0.05 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 2ikk s VAL 128 Cb -0.10 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.25 2ikk s VAL 128 CO 0.01 0.00 0.43 -0.70 0.00 0.00 0.00 175.10 174.85 2ikk s GLU 129 N 2.31 2.93 -0.29 2.72 2.12 0.44 -1.52 118.70 127.41 2ikk s GLU 129 Ca 0.37 -1.55 -0.11 0.00 0.36 0.00 0.00 54.97 54.05 2ikk s GLU 129 Cb -0.16 -4.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.02 2ikk s GLU 129 CO 0.11 -1.17 0.18 -1.17 -0.54 0.00 0.00 175.26 172.67 2ikk s LEU 130 N 1.59 4.03 -0.20 2.70 2.96 0.27 -2.53 118.68 127.51 2ikk s LEU 130 Ca 0.04 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2ikk s LEU 130 Cb -0.27 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2ikk s LEU 130 CO 0.04 -0.10 0.05 -0.54 -1.32 0.00 0.00 176.35 174.49 2ikk s LYS 131 N 1.71 3.82 0.04 1.98 1.02 -0.28 -0.49 119.74 127.55 2ikk s LYS 131 Ca 0.06 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2ikk s LYS 131 Cb -0.16 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2ikk s LYS 131 CO 0.09 0.10 -0.10 1.03 -0.92 0.00 0.00 175.35 175.56 2ikk s ARG 132 N 0.82 0.62 -0.17 1.68 0.52 -0.41 -0.00 118.95 122.01 2ikk s ARG 132 Ca 0.03 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2ikk s ARG 132 Cb -0.14 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.83 2ikk s ARG 132 CO 0.02 0.11 -0.11 -1.50 0.02 0.00 0.00 175.30 173.84 2ikk s ILE 133 N -1.14 3.06 -0.20 1.52 1.10 -0.06 -0.12 121.20 125.36 2ikk s ILE 133 Ca -0.06 -0.63 -0.13 0.00 -0.51 0.00 0.00 60.65 59.32 2ikk s ILE 133 Cb -0.09 -2.33 -0.04 0.00 0.15 0.00 0.00 42.46 40.15 2ikk s ILE 133 CO 0.01 0.49 0.29 -0.22 -2.11 0.00 0.00 174.94 173.39 2ikk s LEU 134 N 0.88 4.18 0.20 8.50 2.96 0.14 -1.41 118.68 134.12 2ikk s LEU 134 Ca -0.03 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 2ikk s LEU 134 Cb -0.15 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2ikk s LEU 134 CO 0.00 0.03 0.08 -0.31 -1.32 0.00 0.00 176.35 174.83 2ikk s TYR 135 N 0.93 2.97 -0.34 5.38 2.02 -1.26 0.20 117.35 127.24 2ikk s TYR 135 Ca 0.15 -0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 56.67 2ikk s TYR 135 Cb -0.14 -1.40 0.22 0.00 -0.40 0.00 0.00 41.96 40.25 2ikk s TYR 135 CO 0.05 0.53 1.12 -1.71 -1.57 0.00 0.00 175.55 173.97 2ikk n ASN 136 N -0.51 -1.43 0.00 2.29 5.15 -0.38 -4.80 115.26 115.58 2ikk n ASN 136 Ca -0.08 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.87 2ikk n ASN 136 Cb 0.56 0.73 0.00 0.00 -0.53 0.00 0.00 39.78 40.54 2ikk n ASN 136 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2ikk n ASP 137 N 2.48 0.00 -1.24 1.20 5.68 -1.26 -4.56 116.55 118.85 2ikk n ASP 137 Ca 0.10 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.50 2ikk n ASP 137 Cb 0.66 -0.05 0.29 0.00 -1.14 0.00 0.00 41.12 40.88 2ikk n ASP 137 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2ikk n ASP 138 N -1.49 3.59 -4.67 -1.12 2.03 -1.26 -4.89 116.55 108.74 2ikk n ASP 138 Ca 0.00 -2.04 -0.39 0.00 0.52 0.00 0.00 54.79 52.87 2ikk n ASP 138 Cb 0.00 -0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.89 2ikk n ASP 138 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2ikk s GLN 139 N -1.19 4.24 0.10 -0.67 0.74 -1.26 -5.04 119.66 116.57 2ikk s GLN 139 Ca 0.44 0.56 -0.32 0.00 0.05 0.00 0.00 55.36 56.09 2ikk s GLN 139 Cb 0.23 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.69 2ikk s GLN 139 CO 0.29 -0.14 1.84 -2.30 -0.55 0.00 0.00 175.29 174.43 2ikk n PRO 140 N 4.71 2.71 -0.10 1.67 -0.02 -1.26 -1.25 135.00 141.46 2ikk n PRO 140 Ca -0.03 0.99 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 2ikk n PRO 140 Cb 0.50 -2.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.03 2ikk n PRO 140 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2ikk n LEU 141 N 5.83 1.86 -3.95 2.45 7.94 0.13 -4.87 117.00 126.39 2ikk n LEU 141 Ca 0.19 0.13 -0.19 0.00 -1.11 0.00 0.00 56.01 55.03 2ikk n LEU 141 Cb 0.36 -0.59 -0.16 0.00 0.53 0.00 0.00 43.42 43.57 2ikk n LEU 141 CO 0.67 0.53 -0.42 -0.89 -1.11 0.00 0.00 177.39 176.16 2ikk s THR 142 N -2.36 0.62 -0.30 1.96 2.01 -0.59 -4.43 115.64 112.55 2ikk s THR 142 Ca -0.26 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 2ikk s THR 142 Cb 0.09 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 72.03 2ikk s THR 142 CO 0.36 0.21 0.08 0.12 -0.69 0.00 0.00 174.62 174.71 2ikk s PHE 143 N 0.41 3.16 -0.10 4.92 5.36 -0.02 0.27 117.98 131.97 2ikk s PHE 143 Ca -0.06 -1.01 -0.00 0.00 -0.96 0.00 0.00 56.93 54.90 2ikk s PHE 143 Cb -0.10 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.30 2ikk s PHE 143 CO 0.00 -0.59 -0.07 -2.00 -1.46 0.00 0.00 175.22 171.10 2ikk s GLU 144 N 1.49 3.05 -0.17 10.12 2.12 0.83 -0.93 118.70 135.22 2ikk s GLU 144 Ca 0.02 -0.57 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 2ikk s GLU 144 Cb -0.17 -2.66 0.04 0.00 0.26 0.00 0.00 34.13 31.60 2ikk s GLU 144 CO 0.03 0.50 -0.04 0.08 -0.54 0.00 0.00 175.26 175.29 2ikk s VAL 145 N -0.36 0.99 0.08 3.70 1.01 -0.10 -1.28 120.40 124.44 2ikk s VAL 145 Ca 0.05 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2ikk s VAL 145 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2ikk s VAL 145 CO 0.02 0.08 -0.26 -0.89 0.00 0.00 0.00 175.10 174.05 2ikk s THR 146 N 1.68 2.16 -0.06 3.92 2.01 0.36 -0.57 115.64 125.14 2ikk s THR 146 Ca 0.00 -1.54 0.04 0.00 0.31 0.00 0.00 61.69 60.51 2ikk s THR 146 Cb -0.15 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 2ikk s THR 146 CO -0.07 0.23 -0.20 -1.00 -0.69 0.00 0.00 174.62 172.89 2ikk s HIS 147 N -0.92 2.03 -0.12 4.92 3.76 -0.05 -0.56 115.29 124.34 2ikk s HIS 147 Ca 0.12 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2ikk s HIS 147 Cb -0.10 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 2ikk s HIS 147 CO 0.04 -0.26 -0.16 0.71 -0.85 0.00 0.00 174.74 174.22 2ikk s TYR 148 N 0.17 2.74 -0.20 1.40 2.02 -0.58 -2.07 117.35 120.83 2ikk s TYR 148 Ca -0.09 -0.80 -0.29 0.00 -0.37 0.00 0.00 57.07 55.51 2ikk s TYR 148 Cb -0.14 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2ikk s TYR 148 CO 0.04 -0.30 1.34 -1.25 -1.57 0.00 0.00 175.55 173.82 2ikk s PRO 149 N 0.41 4.08 0.48 -1.71 0.04 -1.26 -0.42 135.00 136.62 2ikk s PRO 149 Ca -0.12 1.58 0.20 0.00 0.04 0.00 0.00 61.00 62.70 2ikk s PRO 149 Cb -0.16 -3.85 1.21 0.00 0.04 0.00 0.00 34.50 31.74 2ikk s PRO 149 CO 0.06 -0.91 2.03 -0.07 0.04 0.00 0.00 177.00 178.15 2ikk h LEU 150 N 10.33 0.00 -1.44 -3.56 -0.00 -1.63 -2.43 115.31 116.59 2ikk h LEU 150 Ca -0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.54 2ikk h LEU 150 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2ikk h LEU 150 CO 0.99 0.16 -0.28 0.44 -0.00 0.00 0.00 178.44 179.75 2ikk h ASP 151 N 0.00 0.00 0.39 -0.43 3.32 -1.91 -2.02 116.42 115.77 2ikk h ASP 151 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2ikk h ASP 151 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2ikk h ASP 151 CO 0.02 0.28 -1.58 -0.07 -1.72 0.00 0.00 179.24 176.17 2ikk h LEU 152 N 0.00 0.45 -5.94 1.55 4.07 -1.84 -3.41 115.31 110.18 2ikk h LEU 152 Ca -0.00 -0.63 -0.58 0.00 0.08 0.00 0.00 57.88 56.75 2ikk h LEU 152 Cb 0.56 -0.15 -0.41 0.00 1.08 0.00 0.00 40.66 41.75 2ikk h LEU 152 CO 0.04 1.53 -0.79 0.49 -1.08 0.00 0.00 178.44 178.62 2ikk n PHE 153 N -3.49 2.38 -1.75 1.13 3.72 -1.01 -5.10 117.46 113.35 2ikk n PHE 153 Ca -0.18 -3.94 -0.42 0.00 -0.05 0.00 0.00 57.45 52.86 2ikk n PHE 153 Cb 1.05 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 2ikk n PHE 153 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ikk n PRO 154 N 0.70 2.67 -0.95 -1.08 -0.04 -0.77 -1.96 135.00 133.58 2ikk n PRO 154 Ca 0.27 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.68 2ikk n PRO 154 Cb 0.46 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 2ikk n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ikk n GLY 155 N 1.50 0.72 0.27 0.55 0.00 -1.26 -4.91 105.19 102.06 2ikk n GLY 155 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2ikk n GLY 155 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ikk h ILE 156 N 0.00 0.75 -0.41 -0.61 2.10 -1.76 -0.88 117.51 116.70 2ikk h ILE 156 Ca 0.00 -0.16 0.04 0.00 1.08 0.00 0.00 64.86 65.82 2ikk h ILE 156 Cb 0.05 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 36.85 2ikk h ILE 156 CO 0.00 0.04 0.27 -2.24 -1.08 0.00 0.00 178.15 175.14 2ikk h ASP 157 N 0.00 0.35 0.71 2.19 2.03 -1.91 -2.08 116.42 117.71 2ikk h ASP 157 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ikk h ASP 157 Cb 0.09 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2ikk h ASP 157 CO 0.01 0.24 0.00 0.71 -1.03 0.00 0.00 179.24 179.17 2ikk h THR 158 N 0.41 0.00 -0.00 1.15 1.35 -1.56 -1.83 112.91 112.42 2ikk h THR 158 Ca 0.17 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2ikk h THR 158 Cb 0.16 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2ikk h THR 158 CO -0.04 0.00 -0.29 0.49 -0.25 0.00 0.00 175.52 175.43 2ikk n PHE 159 N -2.66 0.00 -2.53 4.73 3.72 -0.78 -4.92 117.46 115.02 2ikk n PHE 159 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2ikk n PHE 159 Cb 0.23 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 2ikk n PHE 159 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2ikk s ILE 160 N -2.83 4.29 0.08 4.37 1.01 -0.69 -4.94 121.20 122.49 2ikk s ILE 160 Ca 0.17 1.68 -0.27 0.00 0.00 0.00 0.00 60.65 62.23 2ikk s ILE 160 Cb 0.19 -4.08 0.08 0.00 0.01 0.00 0.00 42.46 38.66 2ikk s ILE 160 CO 0.60 0.15 1.02 0.00 0.00 0.00 0.00 174.94 176.71 2ikk s ALA 161 N 0.85 -1.81 0.14 9.38 0.00 -1.26 -5.09 121.76 123.97 2ikk s ALA 161 Ca 0.55 0.42 -0.35 0.00 0.00 0.00 0.00 51.96 52.59 2ikk s ALA 161 Cb -0.27 0.52 -0.15 0.00 0.00 0.00 0.00 23.12 23.23 2ikk s ALA 161 CO 0.30 -0.98 1.52 -0.25 0.00 0.00 0.00 175.76 176.34 2ikk n ASP 162 N -0.43 2.69 0.00 0.00 8.00 -1.26 -2.02 116.55 123.53 2ikk n ASP 162 Ca -0.07 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.52 2ikk n ASP 162 Cb 0.61 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 2ikk n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ikk n GLY 163 N 3.18 0.80 3.73 0.44 0.00 -1.26 -5.02 105.19 107.07 2ikk n GLY 163 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2ikk n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ikk s VAL 164 N -3.14 4.87 0.82 1.61 1.01 -0.86 -5.15 120.40 119.56 2ikk s VAL 164 Ca 0.00 1.58 -0.06 0.00 0.00 0.00 0.00 61.98 63.49 2ikk s VAL 164 Cb 0.00 -4.10 0.17 0.00 0.00 0.00 0.00 36.38 32.46 2ikk s VAL 164 CO 0.00 0.31 1.12 -0.24 0.00 0.00 0.00 175.10 176.28 2ikk n SER 165 N 3.26 0.87 0.00 3.32 2.88 -1.26 -4.92 113.62 117.77 2ikk n SER 165 Ca -0.01 -1.88 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 2ikk n SER 165 Cb 0.51 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2ikk n SER 165 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2ikk n HIS 167 N -3.22 0.00 -0.18 0.66 8.25 -1.26 -1.92 115.22 117.55 2ikk n HIS 167 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 2ikk n HIS 167 Cb 0.58 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.70 2ikk n HIS 167 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2ikk h ASP 168 N 0.00 0.95 -0.00 0.41 3.32 -1.96 -2.06 116.42 117.07 2ikk h ASP 168 Ca 0.00 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.75 2ikk h ASP 168 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2ikk h ASP 168 CO 0.00 1.05 -0.14 0.40 -1.72 0.00 0.00 179.24 178.83 2ikk h ILE 169 N 0.83 0.66 -0.53 0.35 1.08 -1.81 0.66 117.51 118.76 2ikk h ILE 169 Ca 0.14 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.69 2ikk h ILE 169 Cb 0.58 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 2ikk h ILE 169 CO 0.03 0.00 0.19 -0.07 -0.69 0.00 0.00 178.15 177.61 2ikk h LEU 170 N -0.23 0.19 -0.02 1.44 3.38 -1.81 0.13 115.31 118.39 2ikk h LEU 170 Ca 0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ikk h LEU 170 Cb 0.29 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ikk h LEU 170 CO -0.14 0.13 -0.01 0.50 0.09 0.00 0.00 178.44 179.02 2ikk h LYS 171 N 0.37 0.04 0.04 1.13 3.64 -1.13 -1.14 116.57 119.51 2ikk h LYS 171 Ca 0.26 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2ikk h LYS 171 Cb 0.29 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2ikk h LYS 171 CO -0.26 0.40 -0.47 1.96 -2.27 0.00 0.00 179.45 178.81 2ikk h GLN 172 N -0.33 0.25 0.00 1.90 4.20 -0.67 -2.57 115.11 117.88 2ikk h GLN 172 Ca 0.00 -0.32 -0.23 0.00 0.06 0.00 0.00 58.65 58.16 2ikk h GLN 172 Cb 0.39 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2ikk h GLN 172 CO 0.00 1.07 -1.22 1.96 -0.67 0.00 0.00 178.83 179.97 2ikk h GLN 173 N -0.43 0.00 0.00 1.46 1.08 -0.89 -3.40 115.11 112.93 2ikk h GLN 173 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2ikk h GLN 173 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2ikk h GLN 173 CO 0.09 0.78 0.00 0.66 -0.95 0.00 0.00 178.83 179.41 2ikk n TYR 174 N -3.23 0.00 -2.64 2.96 4.02 -0.73 -5.02 117.16 112.52 2ikk n TYR 174 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.65 2ikk n TYR 174 Cb 0.96 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.30 2ikk n TYR 174 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ikk n LYS 175 N -0.10 -2.92 -4.79 -0.72 4.76 -0.52 -4.95 118.16 108.93 2ikk n LYS 175 Ca 0.00 0.83 -0.33 0.00 -2.87 0.00 0.00 58.31 55.94 2ikk n LYS 175 Cb 0.09 -5.38 -0.14 0.00 -1.84 0.00 0.00 35.03 27.77 2ikk n LYS 175 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ikk s VAL 176 N -3.00 3.11 -0.05 -0.18 1.01 -0.67 -4.94 120.40 115.68 2ikk s VAL 176 Ca 0.14 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2ikk s VAL 176 Cb -0.06 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2ikk s VAL 176 CO 0.17 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 175.03 2ikk s VAL 177 N 0.01 0.93 0.45 2.92 1.01 -1.26 -2.63 120.40 121.82 2ikk s VAL 177 Ca -0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2ikk s VAL 177 Cb -0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 2ikk s VAL 177 CO 0.04 0.31 1.20 -2.16 0.00 0.00 0.00 175.10 174.49 2ikk s PRO 178 N 0.68 3.77 -0.03 2.72 0.04 -1.26 -4.63 135.00 136.30 2ikk s PRO 178 Ca -0.13 1.88 0.11 0.00 0.04 0.00 0.00 61.00 62.90 2ikk s PRO 178 Cb -0.15 -2.48 -0.16 0.00 0.04 0.00 0.00 34.50 31.75 2ikk s PRO 178 CO 0.02 -0.57 0.21 0.25 0.04 0.00 0.00 177.00 176.96 2ikk n THR 179 N -0.37 0.09 -3.68 1.26 -2.24 0.69 -4.96 114.28 105.08 2ikk n THR 179 Ca 0.07 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2ikk n THR 179 Cb 0.47 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 2ikk n THR 179 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2ikk s HIS 180 N -2.68 -0.30 0.03 4.78 -3.43 -1.19 -5.04 115.29 107.46 2ikk s HIS 180 Ca -0.04 -0.03 -0.09 0.00 -0.80 0.00 0.00 55.06 54.10 2ikk s HIS 180 Cb 0.06 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 2ikk s HIS 180 CO 0.45 -0.99 0.18 0.54 -2.00 0.00 0.00 174.74 172.91 2ikk s ASN 181 N -2.83 0.04 -0.12 7.38 2.20 -1.26 -0.73 114.94 119.62 2ikk s ASN 181 Ca 0.08 -0.35 0.02 0.00 -0.94 0.00 0.00 52.86 51.66 2ikk s ASN 181 Cb -0.03 0.27 -0.01 0.00 -2.00 0.00 0.00 41.25 39.48 2ikk s ASN 181 CO -0.01 -0.52 -0.18 -0.89 -2.94 0.00 0.00 177.10 172.55 2ikk s THR 182 N -2.38 2.60 -0.02 0.54 2.01 -0.13 -4.97 115.64 113.29 2ikk s THR 182 Ca -0.07 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.14 2ikk s THR 182 Cb -0.02 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 2ikk s THR 182 CO -0.03 0.54 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.79 2ikk s LYS 183 N 0.35 1.02 0.01 4.92 1.02 -1.26 -1.28 119.74 124.52 2ikk s LYS 183 Ca -0.14 -0.39 0.07 0.00 0.02 0.00 0.00 55.97 55.52 2ikk s LYS 183 Cb -0.17 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.15 2ikk s LYS 183 CO 0.07 0.20 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.99 2ikk s LEU 184 N -0.07 2.49 -0.13 3.17 2.01 0.32 -4.94 118.68 121.53 2ikk s LEU 184 Ca 0.01 -0.40 0.02 0.00 0.01 0.00 0.00 54.13 53.77 2ikk s LEU 184 Cb -0.07 -1.47 0.01 0.00 0.01 0.00 0.00 46.19 44.68 2ikk s LEU 184 CO 0.00 0.29 -0.18 -0.22 1.01 0.00 0.00 176.35 177.24 2ikk s LEU 185 N -1.12 1.92 0.29 1.79 2.96 -1.26 -0.53 118.68 122.72 2ikk s LEU 185 Ca 0.13 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2ikk s LEU 185 Cb -0.10 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 2ikk s LEU 185 CO 0.03 0.04 0.12 0.20 -1.32 0.00 0.00 176.35 175.41 2ikk s ASN 186 N 0.98 1.49 -0.10 3.68 -0.87 -0.71 -5.00 114.94 114.41 2ikk s ASN 186 Ca -0.05 -1.46 -0.03 0.00 -1.57 0.00 0.00 52.86 49.75 2ikk s ASN 186 Cb -0.15 0.25 -0.03 0.00 -0.02 0.00 0.00 41.25 41.30 2ikk s ASN 186 CO -0.03 -0.79 0.00 -0.69 -2.57 0.00 0.00 177.10 173.02 2ikk s VAL 187 N -3.64 4.33 0.43 1.60 1.01 -1.26 -0.49 120.40 122.39 2ikk s VAL 187 Ca 0.36 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2ikk s VAL 187 Cb 0.07 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2ikk s VAL 187 CO 0.15 0.58 0.12 0.68 0.00 0.00 0.00 175.10 176.63 2ikk s VAL 188 N -0.65 0.62 -0.10 2.92 -7.23 -0.24 -4.91 120.40 110.81 2ikk s VAL 188 Ca 0.11 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2ikk s VAL 188 Cb -0.12 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2ikk s VAL 188 CO 0.02 0.00 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.38 2ikk s TYR 189 N -3.14 1.70 0.20 2.82 2.02 -1.26 -0.87 117.35 118.81 2ikk s TYR 189 Ca 0.20 -0.79 -0.32 0.00 -0.37 0.00 0.00 57.07 55.78 2ikk s TYR 189 Cb 0.02 -1.28 -0.15 0.00 -0.40 0.00 0.00 41.96 40.15 2ikk s TYR 189 CO 0.13 -0.45 1.29 0.00 -1.57 0.00 0.00 175.55 174.95 2ikk n ALA 190 N 4.38 0.11 -3.55 3.71 0.00 0.30 -4.79 120.51 120.67 2ikk n ALA 190 Ca -0.18 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 2ikk n ALA 190 Cb 0.51 -2.15 0.01 0.00 0.00 0.00 0.00 19.45 17.82 2ikk n ALA 190 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ikk n GLN 191 N 1.96 0.97 -0.16 0.00 6.02 -1.26 -0.65 117.38 124.26 2ikk n GLN 191 Ca 0.14 -1.90 -0.02 0.00 -0.01 0.00 0.00 57.00 55.20 2ikk n GLN 191 Cb 0.27 0.13 0.05 0.00 1.02 0.00 0.00 30.24 31.71 2ikk n GLN 191 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2ikk h GLN 192 N 0.00 0.07 -0.40 -1.09 4.15 -1.98 -0.49 115.11 115.37 2ikk h GLN 192 Ca -0.19 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 2ikk h GLN 192 Cb 0.72 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 2ikk h GLN 192 CO 0.29 0.04 0.22 1.49 -1.93 0.00 0.00 178.83 178.94 2ikk h GLU 193 N 0.07 0.56 -0.37 1.69 4.81 -2.00 -1.97 114.58 117.37 2ikk h GLU 193 Ca 0.25 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 2ikk h GLU 193 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2ikk h GLU 193 CO -0.46 0.45 -0.28 0.93 -0.73 0.00 0.00 179.01 178.92 2ikk h GLU 194 N 0.52 0.79 -0.39 1.92 3.07 -1.86 -2.36 114.58 116.27 2ikk h GLU 194 Ca 0.14 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.36 58.58 2ikk h GLU 194 Cb 0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2ikk h GLU 194 CO -0.02 0.97 -0.08 0.66 -1.40 0.00 0.00 179.01 179.14 2ikk h SER 195 N 0.67 0.64 0.55 1.42 4.64 -0.89 0.11 113.55 120.69 2ikk h SER 195 Ca 0.08 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 2ikk h SER 195 Cb 0.81 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2ikk h SER 195 CO 0.07 0.76 -0.26 0.50 -0.87 0.00 0.00 176.83 177.02 2ikk h LYS 196 N 0.61 -0.71 0.00 4.77 3.64 -1.13 -1.47 116.57 122.27 2ikk h LYS 196 Ca 0.11 0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 2ikk h LYS 196 Cb 0.50 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2ikk h LYS 196 CO 0.03 -0.43 -0.72 1.88 -2.27 0.00 0.00 179.45 177.94 2ikk h TYR 197 N -0.86 0.00 -0.02 1.91 0.05 -1.34 -2.92 116.97 113.78 2ikk h TYR 197 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2ikk h TYR 197 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2ikk h TYR 197 CO -0.01 0.72 -0.03 1.28 -1.05 0.00 0.00 178.16 179.07 2ikk n LEU 198 N -3.46 1.93 -3.50 3.88 4.77 0.39 -4.81 117.00 116.21 2ikk n LEU 198 Ca 0.00 -0.64 -0.24 0.00 -0.03 0.00 0.00 56.01 55.10 2ikk n LEU 198 Cb 0.76 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.90 2ikk n LEU 198 CO 0.43 0.32 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.12 2ikk n ASP 199 N 0.47 -5.69 -1.68 -1.43 2.03 -0.64 -4.70 116.55 104.92 2ikk n ASP 199 Ca 0.17 -0.88 -0.06 0.00 0.52 0.00 0.00 54.79 54.55 2ikk n ASP 199 Cb 0.43 -4.20 -0.02 0.00 -0.72 0.00 0.00 41.12 36.61 2ikk n ASP 199 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ikk s ASP 201 N -1.64 6.65 0.27 0.00 1.01 -1.26 -4.66 116.67 117.03 2ikk s ASP 201 Ca 0.10 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 53.89 2ikk s ASP 201 Cb 0.00 -2.19 -0.14 0.00 1.01 0.00 0.00 42.92 41.61 2ikk s ASP 201 CO 0.07 0.10 1.27 -0.38 0.21 0.00 0.00 175.17 176.44 2ikk n ILE 202 N 0.60 1.42 0.00 0.77 5.41 -1.26 -2.06 119.36 124.23 2ikk n ILE 202 Ca -0.05 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.34 2ikk n ILE 202 Cb 0.52 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 2ikk n ILE 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ikk n GLY 203 N 1.60 1.42 3.76 7.39 0.00 0.17 -4.96 105.19 114.57 2ikk n GLY 203 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2ikk n GLY 203 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ikk s ASP 204 N -2.09 5.81 0.20 1.61 1.01 -0.88 -4.45 116.67 117.87 2ikk s ASP 204 Ca 0.00 2.63 -0.30 0.00 0.71 0.00 0.00 52.55 55.59 2ikk s ASP 204 Cb 0.00 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 2ikk s ASP 204 CO 0.00 -1.19 1.22 0.00 0.21 0.00 0.00 175.17 175.41 2ikk s ALA 205 N -1.35 3.46 0.03 5.23 0.00 -1.26 -0.54 121.76 127.32 2ikk s ALA 205 Ca 0.65 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.65 2ikk s ALA 205 Cb -0.37 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2ikk s ALA 205 CO 0.45 -0.41 -0.13 -0.51 0.00 0.00 0.00 175.76 175.17 2ikk s LEU 206 N -0.33 2.14 0.23 0.00 1.43 -0.05 -2.54 118.68 119.56 2ikk s LEU 206 Ca 0.53 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 2ikk s LEU 206 Cb -0.34 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.25 2ikk s LEU 206 CO 0.38 0.03 1.02 -0.36 0.23 0.00 0.00 176.35 177.65 2ikk s PHE 207 N -0.75 3.78 -0.19 0.29 0.08 -1.26 -1.08 117.98 118.85 2ikk s PHE 207 Ca 0.01 1.79 0.00 0.00 0.12 0.00 0.00 56.93 58.85 2ikk s PHE 207 Cb -0.07 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2ikk s PHE 207 CO 0.01 -0.05 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.91 2ikk s GLU 208 N -1.06 3.02 -0.27 0.44 2.12 0.36 -4.25 118.70 119.06 2ikk s GLU 208 Ca 0.44 -0.82 -0.10 0.00 0.36 0.00 0.00 54.97 54.84 2ikk s GLU 208 Cb -0.28 -2.67 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 2ikk s GLU 208 CO 0.35 -0.23 0.17 0.42 -0.54 0.00 0.00 175.26 175.44 2ikk s ILE 209 N 1.32 5.20 -0.33 -3.70 -1.09 -0.27 -1.74 121.20 120.58 2ikk s ILE 209 Ca 0.04 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.51 2ikk s ILE 209 Cb -0.14 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.30 2ikk s ILE 209 CO -0.11 0.28 0.15 -0.62 -1.23 0.00 0.00 174.94 173.40 2ikk s ASP 210 N 1.63 5.47 -0.07 3.58 -1.08 0.31 -1.12 116.67 125.39 2ikk s ASP 210 Ca 0.07 -0.83 0.05 0.00 -0.52 0.00 0.00 52.55 51.32 2ikk s ASP 210 Cb -0.16 -1.96 -0.01 0.00 -1.46 0.00 0.00 42.92 39.33 2ikk s ASP 210 CO 0.09 -0.28 -0.23 -0.75 0.52 0.00 0.00 175.17 174.52 2ikk s LYS 211 N 1.53 2.64 -0.10 4.34 2.20 0.23 -0.52 119.74 130.06 2ikk s LYS 211 Ca 0.02 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.81 2ikk s LYS 211 Cb -0.18 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 2ikk s LYS 211 CO 0.05 0.38 -0.24 0.99 -0.36 0.00 0.00 175.35 176.17 2ikk s THR 212 N -0.15 2.05 0.01 3.43 2.01 -0.41 -0.50 115.64 122.08 2ikk s THR 212 Ca -0.03 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.95 2ikk s THR 212 Cb -0.14 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2ikk s THR 212 CO 0.04 0.56 0.07 0.00 -0.69 0.00 0.00 174.62 174.60 2ikk s ALA 213 N 0.37 3.54 0.10 7.40 0.00 -0.84 -0.96 121.76 131.38 2ikk s ALA 213 Ca -0.18 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 50.92 2ikk s ALA 213 Cb -0.18 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2ikk s ALA 213 CO 0.08 0.69 -0.11 -0.06 0.00 0.00 0.00 175.76 176.36 2ikk s PHE 214 N -1.21 1.17 0.00 0.00 0.08 0.09 -0.92 117.98 117.19 2ikk s PHE 214 Ca 0.23 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2ikk s PHE 214 Cb -0.12 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.70 2ikk s PHE 214 CO 0.15 0.05 0.00 -2.37 -0.10 0.00 0.00 175.22 172.94 2ikk n THR 215 N 0.60 0.00 -1.12 0.64 5.66 -0.55 -0.22 114.28 119.30 2ikk n THR 215 Ca -0.16 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.45 2ikk n THR 215 Cb 0.57 -0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.18 2ikk n THR 215 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2ikk n SER 216 N -0.95 -0.88 -3.76 1.09 7.64 -1.26 -2.59 113.62 112.91 2ikk n SER 216 Ca 0.00 0.90 -0.27 0.00 1.01 0.00 0.00 58.87 60.51 2ikk n SER 216 Cb 0.00 -0.75 0.05 0.00 -1.01 0.00 0.00 64.21 62.50 2ikk n SER 216 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2ikk n ASN 217 N 1.54 -4.84 -3.41 6.43 3.02 -1.26 -3.30 115.26 113.45 2ikk n ASN 217 Ca 0.14 -0.69 -0.25 0.00 -0.03 0.00 0.00 54.58 53.75 2ikk n ASN 217 Cb 0.18 -4.36 0.01 0.00 -0.61 0.00 0.00 39.78 35.00 2ikk n ASN 217 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ikk n ASP 218 N -2.94 -4.65 -4.61 6.41 2.03 -1.07 -4.97 116.55 106.76 2ikk n ASP 218 Ca -0.02 -0.46 -0.41 0.00 0.52 0.00 0.00 54.79 54.43 2ikk n ASP 218 Cb 0.56 -3.78 -0.07 0.00 -0.72 0.00 0.00 41.12 37.11 2ikk n ASP 218 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2ikk s GLN 219 N -6.08 3.96 0.30 -0.67 2.00 -1.18 -4.89 119.66 113.10 2ikk s GLN 219 Ca 0.44 0.32 -0.29 0.00 -2.00 0.00 0.00 55.36 53.83 2ikk s GLN 219 Cb -0.22 -3.70 -0.10 0.00 0.80 0.00 0.00 33.01 29.79 2ikk s GLN 219 CO 0.54 -0.50 1.22 -1.25 -0.50 0.00 0.00 175.29 174.80 2ikk s PRO 220 N 2.51 4.48 -0.09 1.67 0.04 -1.26 -1.48 135.00 140.87 2ikk s PRO 220 Ca 0.24 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.37 2ikk s PRO 220 Cb -0.15 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 2ikk s PRO 220 CO 0.11 -0.02 0.01 0.44 0.04 0.00 0.00 177.00 177.57 2ikk n ILE 221 N 1.12 0.57 -3.48 0.56 -5.35 -0.09 -4.88 119.36 107.80 2ikk n ILE 221 Ca -0.00 -0.32 -0.11 0.00 -0.27 0.00 0.00 62.75 62.04 2ikk n ILE 221 Cb 0.43 -0.80 -0.03 0.00 -1.74 0.00 0.00 39.64 37.50 2ikk n ILE 221 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 2ikk s TYR 222 N -2.20 -0.47 0.07 4.28 -0.85 -1.23 -4.36 117.35 112.59 2ikk s TYR 222 Ca -0.06 0.43 0.07 0.00 -0.52 0.00 0.00 57.07 56.99 2ikk s TYR 222 Cb 0.03 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 2ikk s TYR 222 CO 0.32 -0.67 -0.19 0.00 -1.52 0.00 0.00 175.55 173.49 2ikk s SER 224 N -1.57 1.19 -0.12 0.00 0.01 0.34 -0.87 113.70 112.69 2ikk s SER 224 Ca 0.05 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2ikk s SER 224 Cb -0.09 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.15 2ikk s SER 224 CO 0.03 -0.13 -0.12 -0.76 0.41 0.00 0.00 173.24 172.67 2ikk s LEU 225 N -1.52 1.54 -0.16 2.44 1.43 0.26 -0.60 118.68 122.08 2ikk s LEU 225 Ca -0.06 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2ikk s LEU 225 Cb -0.09 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 2ikk s LEU 225 CO 0.01 -0.04 -0.07 -0.36 0.23 0.00 0.00 176.35 176.12 2ikk s PHE 226 N 1.30 2.94 0.44 0.29 0.08 -0.27 -0.92 117.98 121.83 2ikk s PHE 226 Ca -0.01 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.58 2ikk s PHE 226 Cb -0.14 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 2ikk s PHE 226 CO -0.05 -0.19 0.13 -0.51 -0.10 0.00 0.00 175.22 174.50 2ikk s LEU 227 N 0.56 2.91 -0.12 -0.37 1.43 -0.11 -1.11 118.68 121.88 2ikk s LEU 227 Ca -0.05 -1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 51.76 2ikk s LEU 227 Cb -0.15 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2ikk s LEU 227 CO 0.03 -0.60 0.04 -2.28 0.23 0.00 0.00 176.35 173.77 2ikk s HIS 229 N -2.68 3.27 0.12 0.29 2.46 -1.26 -0.85 115.29 116.65 2ikk s HIS 229 Ca 0.34 0.22 0.27 0.00 0.47 0.00 0.00 55.06 56.36 2ikk s HIS 229 Cb 0.05 -1.90 1.05 0.00 -0.13 0.00 0.00 32.58 31.65 2ikk s HIS 229 CO 0.19 0.44 1.87 1.79 -2.47 0.00 0.00 174.74 176.56 2ikk h THR 230 N 4.33 0.39 0.00 0.89 1.35 -1.84 -1.16 112.91 116.87 2ikk h THR 230 Ca -0.48 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2ikk h THR 230 Cb 1.19 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2ikk h THR 230 CO 0.59 0.15 0.00 0.78 -0.25 0.00 0.00 175.52 176.79 2ikk h ASN 231 N 0.00 0.00 -0.00 5.36 -0.26 -2.03 -3.35 115.58 115.30 2ikk h ASN 231 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2ikk h ASN 231 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 2ikk h ASN 231 CO 0.02 0.00 -0.84 0.54 -1.06 0.00 0.00 177.43 176.09 2ikk n ARG 232 N -2.93 0.39 -4.01 0.81 1.74 -0.44 -4.33 116.66 107.89 2ikk n ARG 232 Ca 0.01 -0.31 -0.10 0.00 -0.77 0.00 0.00 57.85 56.69 2ikk n ARG 232 Cb 0.32 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 2ikk n ARG 232 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ikk s VAL 233 N -2.83 0.22 0.00 1.55 0.11 -1.24 -3.98 120.40 114.22 2ikk s VAL 233 Ca 0.11 -1.04 0.07 0.00 -2.93 0.00 0.00 61.98 58.18 2ikk s VAL 233 Cb 0.17 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2ikk s VAL 233 CO 0.78 -0.52 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.93 2ikk s THR 234 N -1.70 1.64 -0.10 5.04 2.01 -0.56 -4.47 115.64 117.52 2ikk s THR 234 Ca -0.12 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 2ikk s THR 234 Cb -0.08 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2ikk s THR 234 CO -0.02 0.39 0.11 -0.36 -0.69 0.00 0.00 174.62 174.05 2ikk s PHE 235 N -0.57 3.47 -0.14 4.92 0.08 -1.26 -0.88 117.98 123.60 2ikk s PHE 235 Ca 0.08 0.41 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 2ikk s PHE 235 Cb -0.08 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2ikk s PHE 235 CO -0.00 0.66 -0.03 0.99 -0.10 0.00 0.00 175.22 176.74 2ikk s THR 236 N -1.03 4.02 -0.11 0.64 2.01 0.32 -4.93 115.64 116.57 2ikk s THR 236 Ca 0.16 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2ikk s THR 236 Cb -0.12 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.67 2ikk s THR 236 CO 0.05 0.52 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 2ikk s ILE 237 N 0.07 0.91 -0.90 1.82 1.01 -1.26 -0.98 121.20 121.87 2ikk s ILE 237 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2ikk s ILE 237 Cb -0.13 -0.95 0.22 0.00 0.01 0.00 0.00 42.46 41.60 2ikk s ILE 237 CO 0.02 0.35 0.79 0.20 0.00 0.00 0.00 174.94 176.30 2ikk s ASN 238 N 1.74 6.06 0.00 3.58 0.01 -1.26 -5.07 114.94 120.00 2ikk s ASN 238 Ca 0.05 -3.69 0.31 0.00 -0.71 0.00 0.00 52.86 48.82 2ikk s ASN 238 Cb -0.13 -1.93 1.73 0.00 0.41 0.00 0.00 41.25 41.34 2ikk s ASN 238 CO -0.08 -0.19 2.13 -0.24 -1.51 0.00 0.00 177.10 177.21