#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ikk n THR 84 N 0.00 0.00 -4.29 2.61 5.66 -1.26 -4.99 114.28 112.01 2ikk n THR 84 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2ikk n THR 84 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2ikk n THR 84 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2ikk s GLU 85 N 0.85 2.51 -0.43 1.09 8.01 -1.10 -4.95 118.70 124.67 2ikk s GLU 85 Ca 0.00 -0.79 -0.05 0.00 0.01 0.00 0.00 54.97 54.14 2ikk s GLU 85 Cb 0.00 -2.50 0.11 0.00 -4.31 0.00 0.00 34.13 27.43 2ikk s GLU 85 CO 0.00 0.57 0.25 1.21 0.01 0.00 0.00 175.26 177.30 2ikk s ASN 86 N -1.86 5.39 -0.29 -0.19 3.84 -1.26 -0.82 114.94 119.75 2ikk s ASN 86 Ca 0.21 -2.02 -0.22 0.00 0.21 0.00 0.00 52.86 51.04 2ikk s ASN 86 Cb -0.11 -1.88 -0.01 0.00 -0.55 0.00 0.00 41.25 38.70 2ikk s ASN 86 CO 0.12 -0.58 0.70 -0.76 -2.79 0.00 0.00 177.10 173.79 2ikk s LEU 87 N 1.17 4.10 -0.17 3.21 2.01 -0.57 -4.95 118.68 123.48 2ikk s LEU 87 Ca 0.08 0.62 -0.23 0.00 0.01 0.00 0.00 54.13 54.60 2ikk s LEU 87 Cb -0.24 -2.94 -0.02 0.00 0.01 0.00 0.00 46.19 43.01 2ikk s LEU 87 CO -0.03 -0.50 0.73 -0.31 1.01 0.00 0.00 176.35 177.25 2ikk s TYR 88 N 2.71 3.42 0.34 0.29 1.51 -1.26 -1.44 117.35 122.92 2ikk s TYR 88 Ca 0.28 1.12 -0.06 0.00 -1.01 0.00 0.00 57.07 57.40 2ikk s TYR 88 Cb -0.15 -2.90 -0.05 0.00 -0.11 0.00 0.00 41.96 38.75 2ikk s TYR 88 CO 0.11 -0.18 0.63 -0.06 -1.11 0.00 0.00 175.55 174.95 2ikk s PHE 89 N 1.90 3.48 -0.84 2.71 2.99 0.11 -4.89 117.98 123.44 2ikk s PHE 89 Ca 0.34 0.77 0.00 0.00 0.00 0.00 0.00 56.93 58.04 2ikk s PHE 89 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 43.02 40.64 2ikk s PHE 89 CO 0.12 0.06 0.00 1.04 -0.00 0.00 0.00 175.22 176.44 2ikk n GLN 90 N -1.15 -0.79 0.00 0.44 6.02 -1.26 -4.58 117.38 116.06 2ikk n GLN 90 Ca -0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2ikk n GLN 90 Cb 0.54 -4.53 0.00 0.00 1.02 0.00 0.00 30.24 27.27 2ikk n GLN 90 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2ikk n HIS 101 N -4.00 0.00 -4.82 1.08 8.25 -1.25 -5.15 115.22 109.33 2ikk n HIS 101 Ca -0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.01 2ikk n HIS 101 Cb 0.59 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.56 2ikk n HIS 101 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ikk s HIS 102 N 0.00 2.77 -0.26 4.41 5.65 -0.43 -4.09 115.29 123.34 2ikk s HIS 102 Ca 0.00 -0.34 -0.19 0.00 0.25 0.00 0.00 55.06 54.78 2ikk s HIS 102 Cb 0.00 -1.72 -0.02 0.00 -1.18 0.00 0.00 32.58 29.65 2ikk s HIS 102 CO 0.00 0.04 0.59 0.08 -0.65 0.00 0.00 174.74 174.80 2ikk s VAL 103 N -0.30 5.01 -0.14 0.89 1.01 -1.26 -1.41 120.40 124.21 2ikk s VAL 103 Ca 0.02 1.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.83 2ikk s VAL 103 Cb -0.13 -3.90 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 2ikk s VAL 103 CO 0.03 0.05 0.52 -0.07 0.00 0.00 0.00 175.10 175.62 2ikk h LEU 104 N 8.88 0.00 -7.07 3.92 4.07 -0.64 -3.48 115.31 120.98 2ikk h LEU 104 Ca -0.28 -0.71 0.06 0.00 0.08 0.00 0.00 57.88 57.03 2ikk h LEU 104 Cb 1.13 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.74 2ikk h LEU 104 CO 0.75 0.93 0.36 -0.94 -1.08 0.00 0.00 178.44 178.46 2ikk s SER 105 N -6.12 -0.44 -0.13 -0.43 1.04 -1.15 -5.01 113.70 101.47 2ikk s SER 105 Ca -0.16 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 2ikk s SER 105 Cb -0.01 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2ikk s SER 105 CO 0.52 -0.81 0.31 -1.38 0.98 0.00 0.00 173.24 172.85 2ikk s HIS 106 N -3.43 -0.43 0.03 5.02 -3.43 -1.25 -0.63 115.29 111.17 2ikk s HIS 106 Ca 0.04 0.96 0.01 0.00 -0.80 0.00 0.00 55.06 55.27 2ikk s HIS 106 Cb -0.01 0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 31.25 2ikk s HIS 106 CO -0.10 -0.27 -0.05 -0.51 -2.00 0.00 0.00 174.74 171.81 2ikk s ASP 107 N 1.25 0.54 -0.25 7.38 1.11 -1.07 -4.98 116.67 120.65 2ikk s ASP 107 Ca -0.09 -0.49 -0.17 0.00 0.18 0.00 0.00 52.55 51.98 2ikk s ASP 107 Cb -0.09 0.06 -0.03 0.00 1.07 0.00 0.00 42.92 43.93 2ikk s ASP 107 CO -0.10 -0.23 0.47 -0.63 1.18 0.00 0.00 175.17 175.87 2ikk s ILE 108 N -1.31 5.11 0.13 0.77 1.01 -1.26 -0.27 121.20 125.39 2ikk s ILE 108 Ca -0.12 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.35 2ikk s ILE 108 Cb -0.09 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2ikk s ILE 108 CO -0.00 0.13 -0.03 0.27 0.00 0.00 0.00 174.94 175.30 2ikk s ILE 109 N 2.06 0.68 0.29 2.92 -4.36 -0.18 -4.95 121.20 117.67 2ikk s ILE 109 Ca 0.20 -1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 58.34 2ikk s ILE 109 Cb -0.16 -1.89 -0.10 0.00 1.25 0.00 0.00 42.46 41.57 2ikk s ILE 109 CO 0.09 -0.68 1.30 -2.84 0.24 0.00 0.00 174.94 173.05 2ikk s PRO 110 N -3.87 4.39 0.13 0.37 0.02 -1.26 -0.23 135.00 134.54 2ikk s PRO 110 Ca 0.18 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.03 2ikk s PRO 110 Cb 0.06 -3.12 -0.10 0.00 0.02 0.00 0.00 34.50 31.36 2ikk s PRO 110 CO -0.01 -0.18 1.71 0.00 -0.33 0.00 0.00 177.00 178.19 2ikk s ALA 111 N -0.72 3.77 1.08 -1.55 0.00 0.21 -4.84 121.76 119.71 2ikk s ALA 111 Ca 0.51 1.39 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 2ikk s ALA 111 Cb -0.38 -3.70 0.23 0.00 0.00 0.00 0.00 23.12 19.27 2ikk s ALA 111 CO 0.47 -1.05 1.07 -1.54 0.00 0.00 0.00 175.76 174.71 2ikk s SER 112 N 2.05 1.86 0.11 0.00 1.04 -1.26 -2.80 113.70 114.70 2ikk s SER 112 Ca 0.76 1.26 -0.24 0.00 0.48 0.00 0.00 55.95 58.20 2ikk s SER 112 Cb -0.44 -1.96 -0.10 0.00 0.10 0.00 0.00 66.02 63.62 2ikk s SER 112 CO 0.33 -3.62 1.68 0.11 0.98 0.00 0.00 173.24 172.73 2ikk h LYS 113 N -2.22 -0.25 -0.59 4.02 1.57 -1.99 0.37 116.57 117.48 2ikk h LYS 113 Ca -0.58 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 2ikk h LYS 113 Cb 1.34 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2ikk h LYS 113 CO 0.55 -0.16 0.24 -1.00 -0.57 0.00 0.00 179.45 178.50 2ikk h PRO 114 N -0.26 0.86 -0.16 3.15 0.13 -1.99 -0.14 132.00 133.59 2ikk h PRO 114 Ca 0.03 -0.13 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 2ikk h PRO 114 Cb 0.28 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.26 2ikk h PRO 114 CO -0.09 0.70 -0.14 0.82 -0.23 0.00 0.00 178.00 179.06 2ikk h ILE 115 N 0.85 1.34 -0.32 -3.56 1.08 -1.86 -1.68 117.51 113.36 2ikk h ILE 115 Ca 0.20 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.38 2ikk h ILE 115 Cb 0.16 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 2ikk h ILE 115 CO -0.02 0.38 0.12 0.00 -0.69 0.00 0.00 178.15 177.94 2ikk h ALA 116 N 0.63 1.62 -0.26 1.87 0.00 -0.05 -1.13 119.26 121.94 2ikk h ALA 116 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ikk h ALA 116 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ikk h ALA 116 CO 0.03 0.30 0.04 0.93 0.00 0.00 0.00 179.25 180.55 2ikk h GLU 117 N 0.44 0.43 -0.69 0.00 5.08 -0.94 -0.24 114.58 118.66 2ikk h GLU 117 Ca 0.11 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ikk h GLU 117 Cb 0.10 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2ikk h GLU 117 CO -0.01 0.56 0.33 0.87 -1.00 0.00 0.00 179.01 179.76 2ikk h LYS 118 N 0.24 1.00 -0.00 2.33 1.57 -1.05 -3.02 116.57 117.63 2ikk h LYS 118 Ca 0.08 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2ikk h LYS 118 Cb 0.34 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2ikk h LYS 118 CO 0.01 0.79 -0.23 1.28 -0.57 0.00 0.00 179.45 180.72 2ikk n LEU 119 N -4.44 0.59 -3.67 2.94 4.77 -0.45 -4.85 117.00 111.89 2ikk n LEU 119 Ca 0.05 -0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 2ikk n LEU 119 Cb 0.13 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2ikk n LEU 119 CO 0.39 0.12 -0.08 0.00 -1.33 0.00 0.00 177.39 176.48 2ikk n GLN 120 N -1.05 -3.18 -4.50 3.23 1.13 -0.15 -4.76 117.38 108.11 2ikk n GLN 120 Ca 0.11 0.57 -0.24 0.00 -1.94 0.00 0.00 57.00 55.51 2ikk n GLN 120 Cb 0.32 -4.84 -0.11 0.00 0.11 0.00 0.00 30.24 25.73 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 -3.60 1.50 0.65 5.09 -4.36 -0.88 -5.07 121.20 114.52 2ikk s ILE 121 Ca 0.21 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.41 2ikk s ILE 121 Cb -0.06 -2.82 -0.01 0.00 1.25 0.00 0.00 42.46 40.81 2ikk s ILE 121 CO 0.83 -0.03 1.25 0.00 0.24 0.00 0.00 174.94 177.23 2ikk n GLN 122 N -0.76 1.07 -1.64 0.37 6.02 -1.26 -4.69 117.38 116.49 2ikk n GLN 122 Ca -0.03 0.42 -0.38 0.00 -0.01 0.00 0.00 57.00 57.00 2ikk n GLN 122 Cb 0.66 -2.49 0.05 0.00 1.02 0.00 0.00 30.24 29.49 2ikk n GLN 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2ikk n PRO 123 N -1.83 1.00 -1.53 -1.09 -0.02 -1.26 -2.19 135.00 128.09 2ikk n PRO 123 Ca 0.16 0.39 -0.18 0.00 -2.02 0.00 0.00 63.50 61.84 2ikk n PRO 123 Cb 0.48 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.03 -1.46 -1.88 -0.52 -0.58 -1.12 -4.94 120.64 109.11 2ikk n GLU 124 Ca 0.13 1.11 -0.38 0.00 -0.42 0.00 0.00 57.16 57.60 2ikk n GLU 124 Cb 0.47 -5.47 0.03 0.00 -0.57 0.00 0.00 31.44 25.90 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 -2.60 5.52 0.11 1.62 0.01 -0.93 -4.06 113.70 113.37 2ikk s SER 125 Ca 0.00 2.70 -0.31 0.00 1.31 0.00 0.00 55.95 59.65 2ikk s SER 125 Cb 0.00 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2ikk s SER 125 CO 0.00 -1.39 1.57 -2.16 0.41 0.00 0.00 173.24 171.67 2ikk s PRO 126 N -2.80 4.22 0.09 12.44 0.04 -1.26 0.66 135.00 148.39 2ikk s PRO 126 Ca 0.68 2.29 0.06 0.00 0.04 0.00 0.00 61.00 64.07 2ikk s PRO 126 Cb -0.39 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 2ikk s PRO 126 CO 0.46 -0.64 -0.15 0.14 0.04 0.00 0.00 177.00 176.86 2ikk s VAL 127 N 1.85 1.24 -0.20 -0.36 -7.23 0.68 -1.72 120.40 114.66 2ikk s VAL 127 Ca 0.71 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 59.22 2ikk s VAL 127 Cb -0.41 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2ikk s VAL 127 CO 0.31 -0.27 0.57 -0.69 -0.31 0.00 0.00 175.10 174.72 2ikk s VAL 128 N -1.54 5.06 -0.51 1.32 1.01 -0.03 -1.01 120.40 124.70 2ikk s VAL 128 Ca 0.02 1.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 2ikk s VAL 128 Cb -0.08 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.50 2ikk s VAL 128 CO 0.03 0.14 0.51 -0.70 0.00 0.00 0.00 175.10 175.07 2ikk s GLU 129 N 1.83 3.02 -0.25 2.72 2.12 0.63 -1.79 118.70 126.98 2ikk s GLU 129 Ca 0.26 -1.37 -0.10 0.00 0.36 0.00 0.00 54.97 54.12 2ikk s GLU 129 Cb -0.16 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 29.99 2ikk s GLU 129 CO 0.10 -1.22 0.16 -1.17 -0.54 0.00 0.00 175.26 172.59 2ikk s LEU 130 N 1.95 4.03 -0.18 2.70 2.96 0.44 -2.61 118.68 127.98 2ikk s LEU 130 Ca 0.07 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 2ikk s LEU 130 Cb -0.25 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 2ikk s LEU 130 CO 0.06 0.03 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.53 2ikk s LYS 131 N 1.26 3.52 0.07 1.98 1.02 0.20 -0.85 119.74 126.94 2ikk s LYS 131 Ca 0.07 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.50 2ikk s LYS 131 Cb -0.14 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2ikk s LYS 131 CO 0.06 0.08 -0.07 1.03 -0.92 0.00 0.00 175.35 175.52 2ikk s ARG 132 N 0.78 0.69 -0.07 1.68 0.52 -0.57 0.16 118.95 122.13 2ikk s ARG 132 Ca -0.02 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 54.17 2ikk s ARG 132 Cb -0.15 -0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.06 2ikk s ARG 132 CO 0.02 0.01 -0.23 0.42 0.02 0.00 0.00 175.30 175.54 2ikk s ILE 133 N -2.58 2.23 -0.17 1.52 1.01 -0.50 -0.58 121.20 122.13 2ikk s ILE 133 Ca 0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 2ikk s ILE 133 Cb -0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2ikk s ILE 133 CO -0.02 0.57 0.03 -0.22 0.00 0.00 0.00 174.94 175.29 2ikk s LEU 134 N -0.04 3.65 -0.06 2.97 2.96 0.16 -1.31 118.68 127.01 2ikk s LEU 134 Ca -0.07 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2ikk s LEU 134 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2ikk s LEU 134 CO 0.05 0.19 0.04 -0.31 -1.32 0.00 0.00 176.35 175.00 2ikk s TYR 135 N 0.26 3.23 0.00 5.38 2.02 -1.26 0.24 117.35 127.22 2ikk s TYR 135 Ca 0.02 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2ikk s TYR 135 Cb -0.13 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2ikk s TYR 135 CO 0.01 0.52 0.12 -1.71 -1.57 0.00 0.00 175.55 172.92 2ikk n ASN 136 N 1.76 0.00 0.00 2.29 5.15 0.32 -4.79 115.26 119.99 2ikk n ASN 136 Ca -0.17 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2ikk n ASN 136 Cb 0.53 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 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 -0.75 0.00 -0.87 1.20 5.68 -1.26 -4.84 116.55 115.71 2ikk n ASP 137 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.39 2ikk n ASP 137 Cb 0.00 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.09 2ikk n ASP 137 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2ikk n ASP 138 N -0.08 2.85 -4.67 -1.12 8.00 -1.26 -4.95 116.55 115.33 2ikk n ASP 138 Ca 0.00 -1.88 -0.40 0.00 0.71 0.00 0.00 54.79 53.22 2ikk n ASP 138 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 2ikk n ASP 138 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2ikk s GLN 139 N -1.61 4.25 0.05 -1.24 0.74 -1.26 -5.03 119.66 115.56 2ikk s GLN 139 Ca 0.27 0.66 -0.31 0.00 0.05 0.00 0.00 55.36 56.03 2ikk s GLN 139 Cb 0.18 -3.56 -0.08 0.00 1.10 0.00 0.00 33.01 30.65 2ikk s GLN 139 CO 0.26 -0.19 1.63 -2.14 -0.55 0.00 0.00 175.29 174.30 2ikk s PRO 140 N 1.75 4.20 -0.15 1.67 0.02 -1.26 0.12 135.00 141.34 2ikk s PRO 140 Ca 0.30 2.28 0.04 0.00 0.02 0.00 0.00 61.00 63.64 2ikk s PRO 140 Cb -0.16 -3.64 -0.12 0.00 0.02 0.00 0.00 34.50 30.60 2ikk s PRO 140 CO 0.11 -0.73 -0.09 -0.11 -0.33 0.00 0.00 177.00 175.85 2ikk n LEU 141 N 5.75 2.11 -3.75 -5.54 0.00 0.14 -4.79 117.00 110.91 2ikk n LEU 141 Ca 0.16 -0.06 -0.14 0.00 0.00 0.00 0.00 56.01 55.96 2ikk n LEU 141 Cb 0.41 -0.31 -0.15 0.00 0.00 0.00 0.00 43.42 43.37 2ikk n LEU 141 CO 0.62 0.64 -0.25 -0.89 0.00 0.00 0.00 177.39 177.51 2ikk s THR 142 N -2.32 -0.06 -0.28 1.96 2.01 -0.58 -4.47 115.64 111.89 2ikk s THR 142 Ca -0.17 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 2ikk s THR 142 Cb 0.05 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2ikk s THR 142 CO 0.42 0.08 0.14 0.12 -0.69 0.00 0.00 174.62 174.69 2ikk s PHE 143 N 1.22 3.16 -0.10 4.92 5.36 -0.44 0.37 117.98 132.47 2ikk s PHE 143 Ca -0.08 -0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 55.54 2ikk s PHE 143 Cb -0.12 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.21 2ikk s PHE 143 CO -0.05 -0.35 -0.08 -2.00 -1.46 0.00 0.00 175.22 171.28 2ikk s GLU 144 N 1.65 3.09 -0.15 10.12 2.12 0.26 -0.83 118.70 134.97 2ikk s GLU 144 Ca 0.06 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 2ikk s GLU 144 Cb -0.16 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.59 2ikk s GLU 144 CO 0.07 0.47 -0.08 0.08 -0.54 0.00 0.00 175.26 175.25 2ikk s VAL 145 N -0.28 1.24 0.05 3.70 1.01 0.26 -1.51 120.40 124.87 2ikk s VAL 145 Ca 0.04 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.52 2ikk s VAL 145 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2ikk s VAL 145 CO 0.03 0.26 -0.24 -0.89 0.00 0.00 0.00 175.10 174.25 2ikk s THR 146 N 1.60 1.98 -0.08 3.92 2.01 -0.03 -0.80 115.64 124.24 2ikk s THR 146 Ca 0.02 -1.35 0.05 0.00 0.31 0.00 0.00 61.69 60.72 2ikk s THR 146 Cb -0.14 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 2ikk s THR 146 CO -0.08 0.28 -0.23 -1.00 -0.69 0.00 0.00 174.62 172.90 2ikk s HIS 147 N -0.83 2.34 -0.12 4.92 3.76 0.02 -0.42 115.29 124.97 2ikk s HIS 147 Ca 0.10 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 2ikk s HIS 147 Cb -0.10 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 2ikk s HIS 147 CO 0.02 -0.32 -0.20 0.71 -0.85 0.00 0.00 174.74 174.11 2ikk s TYR 148 N 0.19 2.66 -0.07 1.40 2.02 -0.74 -2.10 117.35 120.71 2ikk s TYR 148 Ca -0.12 -0.94 -0.30 0.00 -0.37 0.00 0.00 57.07 55.34 2ikk s TYR 148 Cb -0.16 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2ikk s TYR 148 CO 0.06 -0.37 1.18 -1.25 -1.57 0.00 0.00 175.55 173.60 2ikk s PRO 149 N 0.41 4.35 0.48 -1.71 0.04 -1.26 -0.85 135.00 136.45 2ikk s PRO 149 Ca -0.15 1.63 0.27 0.00 0.04 0.00 0.00 61.00 62.80 2ikk s PRO 149 Cb -0.17 -3.57 1.05 0.00 0.04 0.00 0.00 34.50 31.84 2ikk s PRO 149 CO 0.07 -0.46 1.87 -0.07 0.04 0.00 0.00 177.00 178.45 2ikk h LEU 150 N 8.31 0.00 -1.16 -3.56 -0.00 -1.60 -2.27 115.31 115.03 2ikk h LEU 150 Ca -0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.48 2ikk h LEU 150 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 2ikk h LEU 150 CO 0.89 0.15 -0.35 0.44 -0.00 0.00 0.00 178.44 179.56 2ikk h ASP 151 N 0.00 0.00 0.33 -0.43 3.32 -1.91 -2.08 116.42 115.66 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 0.68 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 2ikk h ASP 151 CO 0.02 0.35 -1.87 0.18 -1.72 0.00 0.00 179.24 176.19 2ikk n LEU 152 N -3.70 1.34 -3.17 1.55 4.32 -0.93 -4.61 117.00 111.80 2ikk n LEU 152 Ca -0.01 0.30 -0.26 0.00 -0.02 0.00 0.00 56.01 56.02 2ikk n LEU 152 Cb 0.45 -0.18 -0.06 0.00 -1.62 0.00 0.00 43.42 42.01 2ikk n LEU 152 CO 0.36 0.54 0.07 0.49 -1.22 0.00 0.00 177.39 177.63 2ikk n PHE 153 N -3.14 3.35 -1.76 -1.77 3.72 -0.90 -5.10 117.46 111.87 2ikk n PHE 153 Ca -0.23 -4.03 -0.41 0.00 -0.05 0.00 0.00 57.45 52.73 2ikk n PHE 153 Cb 1.06 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.34 2.69 -1.16 -1.08 -0.04 -0.79 -1.87 135.00 133.09 2ikk n PRO 154 Ca 0.30 0.95 -0.06 0.00 -0.04 0.00 0.00 63.50 64.65 2ikk n PRO 154 Cb 0.43 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.14 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 1.58 0.77 0.21 0.55 0.00 -1.26 -4.91 105.19 102.12 2ikk n GLY 155 Ca 0.06 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 0.98 -0.25 -0.61 2.10 -1.74 -1.62 117.51 116.38 2ikk h ILE 156 Ca -0.12 -1.10 0.07 0.00 1.08 0.00 0.00 64.86 64.79 2ikk h ILE 156 Cb 0.57 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 2ikk h ILE 156 CO 0.17 0.29 0.23 -2.24 -1.08 0.00 0.00 178.15 175.52 2ikk h ASP 157 N 0.00 0.00 1.00 2.19 2.03 -1.91 -2.06 116.42 117.67 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 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 2ikk h ASP 157 CO 0.04 0.00 0.00 0.71 -1.03 0.00 0.00 179.24 178.96 2ikk h THR 158 N 0.00 0.00 -0.01 1.15 1.35 -1.70 -2.73 112.91 110.98 2ikk h THR 158 Ca 0.12 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2ikk h THR 158 Cb 0.57 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2ikk h THR 158 CO -0.00 0.00 -0.31 0.49 -0.25 0.00 0.00 175.52 175.44 2ikk n PHE 159 N -2.35 0.00 -2.68 4.73 3.72 -0.78 -4.95 117.46 115.16 2ikk n PHE 159 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 2ikk n PHE 159 Cb 0.30 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 -2.58 4.77 0.16 4.37 1.01 -1.03 -4.94 121.20 122.95 2ikk s ILE 160 Ca 0.22 2.03 -0.22 0.00 0.00 0.00 0.00 60.65 62.68 2ikk s ILE 160 Cb 0.19 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.42 2ikk s ILE 160 CO 0.55 0.01 0.58 0.00 0.00 0.00 0.00 174.94 176.08 2ikk s ALA 161 N 2.00 -1.51 0.22 9.38 0.00 -1.26 -5.09 121.76 125.50 2ikk s ALA 161 Ca 0.49 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 2ikk s ALA 161 Cb -0.19 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.66 2ikk s ALA 161 CO 0.18 -0.76 1.24 -0.25 0.00 0.00 0.00 175.76 176.17 2ikk n ASP 162 N -0.36 1.91 0.00 0.00 8.00 -1.26 -2.24 116.55 122.60 2ikk n ASP 162 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2ikk n ASP 162 Cb 0.65 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.92 1.32 3.74 0.44 0.00 -1.26 -5.02 105.19 106.33 2ikk n GLY 163 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.79 4.50 0.48 1.61 1.01 -0.95 -5.17 120.40 119.09 2ikk s VAL 164 Ca 0.00 1.90 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 2ikk s VAL 164 Cb 0.00 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.24 2ikk s VAL 164 CO 0.00 0.38 0.65 -0.24 0.00 0.00 0.00 175.10 175.89 2ikk n SER 165 N 2.50 0.49 0.00 3.32 2.88 -1.26 -4.94 113.62 116.61 2ikk n SER 165 Ca -0.01 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 2ikk n SER 165 Cb 0.49 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.57 0.00 -0.34 0.66 8.25 -1.26 -1.79 115.22 118.17 2ikk n HIS 167 Ca 0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.55 2ikk n HIS 167 Cb 0.34 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.57 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 1.00 -0.11 0.41 5.19 -1.96 -1.08 116.42 119.87 2ikk h ASP 168 Ca 0.00 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2ikk h ASP 168 Cb 0.00 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.28 2ikk h ASP 168 CO 0.00 0.69 0.01 0.40 -3.12 0.00 0.00 179.24 177.21 2ikk h ILE 169 N 1.17 1.24 -0.40 0.35 1.08 -1.77 0.13 117.51 119.30 2ikk h ILE 169 Ca 0.37 -0.77 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 2ikk h ILE 169 Cb 0.01 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 2ikk h ILE 169 CO -0.12 0.22 0.23 -0.07 -0.69 0.00 0.00 178.15 177.71 2ikk h LEU 170 N -0.07 0.36 0.54 1.44 3.38 -1.79 0.13 115.31 119.29 2ikk h LEU 170 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2ikk h LEU 170 Cb 0.34 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2ikk h LEU 170 CO 0.00 0.26 -0.26 0.50 0.09 0.00 0.00 178.44 179.03 2ikk h LYS 171 N 0.46 -0.70 -0.05 1.13 3.64 -0.85 -1.48 116.57 118.72 2ikk h LYS 171 Ca 0.16 0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.36 2ikk h LYS 171 Cb 0.03 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2ikk h LYS 171 CO -0.09 -0.42 -0.91 1.96 -2.27 0.00 0.00 179.45 177.73 2ikk h GLN 172 N -0.84 0.59 0.10 1.90 7.50 -0.65 -1.90 115.11 121.81 2ikk h GLN 172 Ca -0.07 -0.57 -0.31 0.00 0.50 0.00 0.00 58.65 58.19 2ikk h GLN 172 Cb 0.60 0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.27 2ikk h GLN 172 CO 0.12 1.19 -1.61 1.96 -1.50 0.00 0.00 178.83 178.99 2ikk h GLN 173 N 0.36 0.22 -0.01 1.46 1.08 -0.87 -3.39 115.11 113.96 2ikk h GLN 173 Ca -0.08 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2ikk h GLN 173 Cb 1.54 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 29.11 2ikk h GLN 173 CO 0.17 1.05 0.00 0.66 -0.95 0.00 0.00 178.83 179.76 2ikk n TYR 174 N -3.40 0.00 -3.54 2.96 4.02 -0.64 -5.01 117.16 111.55 2ikk n TYR 174 Ca -0.18 -0.01 -0.26 0.00 -0.01 0.00 0.00 57.90 57.44 2ikk n TYR 174 Cb 1.04 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.38 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 0.23 -4.61 -4.85 -0.72 4.76 -0.71 -4.96 118.16 107.31 2ikk n LYS 175 Ca 0.03 0.61 -0.33 0.00 -2.87 0.00 0.00 58.31 55.75 2ikk n LYS 175 Cb 0.11 -5.43 -0.14 0.00 -1.84 0.00 0.00 35.03 27.73 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 -3.14 2.97 -0.06 -0.18 1.01 -0.71 -4.95 120.40 115.34 2ikk s VAL 176 Ca 0.50 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2ikk s VAL 176 Cb -0.25 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2ikk s VAL 176 CO 0.62 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 175.44 2ikk s VAL 177 N 0.05 1.23 0.40 2.92 1.01 -1.26 -2.43 120.40 122.32 2ikk s VAL 177 Ca -0.05 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 2ikk s VAL 177 Cb -0.15 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 2ikk s VAL 177 CO 0.04 0.37 1.29 -2.16 0.00 0.00 0.00 175.10 174.65 2ikk s PRO 178 N 0.56 4.02 -0.02 2.72 0.05 -1.26 -4.59 135.00 136.47 2ikk s PRO 178 Ca -0.14 2.13 0.13 0.00 0.05 0.00 0.00 61.00 63.18 2ikk s PRO 178 Cb -0.15 -2.78 -0.20 0.00 0.05 0.00 0.00 34.50 31.41 2ikk s PRO 178 CO 0.04 -0.45 0.32 0.25 0.05 0.00 0.00 177.00 177.22 2ikk n THR 179 N 0.19 0.00 -3.64 1.26 -2.24 0.13 -4.96 114.28 105.02 2ikk n THR 179 Ca 0.03 -0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2ikk n THR 179 Cb 0.44 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.85 -0.08 0.07 4.78 -3.43 -1.20 -5.05 115.29 107.54 2ikk s HIS 180 Ca -0.04 -0.06 -0.12 0.00 -0.80 0.00 0.00 55.06 54.04 2ikk s HIS 180 Cb 0.09 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 31.81 2ikk s HIS 180 CO 0.56 -0.39 0.28 0.54 -2.00 0.00 0.00 174.74 173.72 2ikk s ASN 181 N -2.87 -0.06 -0.01 7.38 2.20 -1.26 -0.87 114.94 119.46 2ikk s ASN 181 Ca 0.13 -0.36 0.05 0.00 -0.94 0.00 0.00 52.86 51.73 2ikk s ASN 181 Cb 0.03 0.37 -0.03 0.00 -2.00 0.00 0.00 41.25 39.61 2ikk s ASN 181 CO -0.03 -0.68 -0.14 0.28 -2.94 0.00 0.00 177.10 173.59 2ikk s THR 182 N -3.14 3.10 -0.01 0.54 -1.32 -0.26 -4.98 115.64 109.56 2ikk s THR 182 Ca -0.01 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.60 2ikk s THR 182 Cb 0.01 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.74 2ikk s THR 182 CO -0.07 0.47 -0.02 -0.54 -2.21 0.00 0.00 174.62 172.24 2ikk s LYS 183 N -1.11 0.29 -0.01 7.08 1.02 -1.26 -1.46 119.74 124.29 2ikk s LYS 183 Ca 0.14 -0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.15 2ikk s LYS 183 Cb -0.11 -0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 2ikk s LYS 183 CO 0.04 -0.00 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.72 2ikk s LEU 184 N 0.32 2.23 -0.11 3.17 1.02 0.55 -4.94 118.68 120.92 2ikk s LEU 184 Ca -0.03 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.72 2ikk s LEU 184 Cb -0.06 -1.38 -0.00 0.00 0.02 0.00 0.00 46.19 44.76 2ikk s LEU 184 CO -0.01 0.31 -0.21 -0.22 0.02 0.00 0.00 176.35 176.25 2ikk s LEU 185 N -0.75 2.26 0.20 1.79 2.96 -1.26 -0.32 118.68 123.55 2ikk s LEU 185 Ca 0.11 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2ikk s LEU 185 Cb -0.10 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2ikk s LEU 185 CO -0.00 0.15 0.12 0.20 -1.32 0.00 0.00 176.35 175.50 2ikk s ASN 186 N 0.40 0.27 -0.13 3.68 -0.87 -0.72 -4.99 114.94 112.58 2ikk s ASN 186 Ca -0.16 -1.38 -0.10 0.00 -1.57 0.00 0.00 52.86 49.66 2ikk s ASN 186 Cb -0.17 0.35 -0.05 0.00 -0.02 0.00 0.00 41.25 41.36 2ikk s ASN 186 CO 0.07 -0.82 0.19 -0.69 -2.57 0.00 0.00 177.10 173.28 2ikk s VAL 187 N -4.11 5.40 0.24 1.60 1.01 -1.26 0.14 120.40 123.43 2ikk s VAL 187 Ca 0.38 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2ikk s VAL 187 Cb 0.07 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2ikk s VAL 187 CO 0.12 0.53 0.07 1.33 0.00 0.00 0.00 175.10 177.15 2ikk n VAL 188 N 2.60 0.00 -3.96 2.92 0.24 -0.10 -4.91 118.33 115.12 2ikk n VAL 188 Ca -0.17 -1.37 -0.21 0.00 -2.04 0.00 0.00 64.34 60.54 2ikk n VAL 188 Cb 0.53 0.46 -0.17 0.00 -1.47 0.00 0.00 33.84 33.19 2ikk n VAL 188 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2ikk s TYR 189 N -2.36 0.71 0.13 6.34 2.02 -1.26 -0.80 117.35 122.13 2ikk s TYR 189 Ca 0.10 -0.20 -0.35 0.00 -0.37 0.00 0.00 57.07 56.25 2ikk s TYR 189 Cb 0.00 -0.73 -0.16 0.00 -0.40 0.00 0.00 41.96 40.68 2ikk s TYR 189 CO 0.07 -0.26 1.40 0.00 -1.57 0.00 0.00 175.55 175.19 2ikk n ALA 190 N 4.57 -0.10 -3.55 3.71 0.00 -0.17 -4.79 120.51 120.18 2ikk n ALA 190 Ca -0.17 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.66 2ikk n ALA 190 Cb 0.50 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.68 1.15 -0.21 0.00 6.02 -1.26 0.11 117.38 125.88 2ikk n GLN 191 Ca 0.17 -1.22 0.01 0.00 -0.01 0.00 0.00 57.00 55.96 2ikk n GLN 191 Cb 0.23 0.10 0.10 0.00 1.02 0.00 0.00 30.24 31.70 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 0.12 -0.62 -1.09 4.15 -1.97 -1.35 115.11 114.34 2ikk h GLN 192 Ca -0.12 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 2ikk h GLN 192 Cb 0.45 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2ikk h GLN 192 CO 0.19 0.08 0.18 1.49 -1.93 0.00 0.00 178.83 178.83 2ikk h GLU 193 N 0.12 0.98 -0.43 1.69 4.81 -2.00 -2.22 114.58 117.52 2ikk h GLU 193 Ca 0.33 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2ikk h GLU 193 Cb 0.53 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2ikk h GLU 193 CO -0.53 0.87 -0.15 0.93 -0.73 0.00 0.00 179.01 179.40 2ikk h GLU 194 N 0.90 0.86 -0.64 1.92 3.07 -1.85 -2.48 114.58 116.36 2ikk h GLU 194 Ca 0.20 -0.35 0.02 0.00 -0.50 0.00 0.00 59.36 58.73 2ikk h GLU 194 Cb 0.32 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 2ikk h GLU 194 CO -0.00 0.99 0.40 0.66 -1.40 0.00 0.00 179.01 179.66 2ikk h SER 195 N 0.69 0.67 0.42 1.42 4.64 -1.09 0.18 113.55 120.47 2ikk h SER 195 Ca 0.10 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2ikk h SER 195 Cb 0.70 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2ikk h SER 195 CO 0.05 0.47 -0.20 0.50 -0.87 0.00 0.00 176.83 176.78 2ikk h LYS 196 N 0.80 -0.54 -0.00 4.77 3.64 -1.27 -0.78 116.57 123.18 2ikk h LYS 196 Ca 0.25 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.50 2ikk h LYS 196 Cb -0.01 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2ikk h LYS 196 CO -0.09 -0.34 -0.80 1.88 -2.27 0.00 0.00 179.45 177.83 2ikk h TYR 197 N -0.59 0.12 -0.16 1.91 0.05 -1.19 -2.97 116.97 114.15 2ikk h TYR 197 Ca -0.06 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2ikk h TYR 197 Cb 0.45 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2ikk h TYR 197 CO -0.04 0.84 0.00 1.28 -1.05 0.00 0.00 178.16 179.19 2ikk n LEU 198 N -3.65 2.54 -3.55 3.88 4.77 0.61 -4.80 117.00 116.80 2ikk n LEU 198 Ca -0.02 -0.97 -0.26 0.00 -0.03 0.00 0.00 56.01 54.73 2ikk n LEU 198 Cb 0.76 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.81 2ikk n LEU 198 CO 0.45 0.48 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.29 2ikk n ASP 199 N 0.93 -5.76 -2.28 -1.43 2.03 -0.36 -4.74 116.55 104.94 2ikk n ASP 199 Ca 0.17 -0.91 -0.11 0.00 0.52 0.00 0.00 54.79 54.46 2ikk n ASP 199 Cb 0.49 -3.90 -0.04 0.00 -0.72 0.00 0.00 41.12 36.96 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 -2.36 6.76 0.22 0.00 1.01 -1.26 -4.63 116.67 116.41 2ikk s ASP 201 Ca 0.21 1.22 -0.32 0.00 0.71 0.00 0.00 52.55 54.38 2ikk s ASP 201 Cb 0.01 -2.35 -0.13 0.00 1.01 0.00 0.00 42.92 41.46 2ikk s ASP 201 CO 0.15 -0.17 1.50 -0.38 0.21 0.00 0.00 175.17 176.49 2ikk n ILE 202 N -0.26 0.62 0.00 0.77 -0.00 -1.26 -2.10 119.36 117.12 2ikk n ILE 202 Ca 0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 2ikk n ILE 202 Cb 0.53 -1.59 0.00 0.00 -0.00 0.00 0.00 39.64 38.58 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 2.64 1.58 3.76 7.39 0.00 0.12 -4.96 105.19 115.72 2ikk n GLY 203 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.82 5.50 0.20 1.61 1.01 -0.89 -4.40 116.67 117.88 2ikk s ASP 204 Ca 0.00 2.52 -0.30 0.00 0.71 0.00 0.00 52.55 55.48 2ikk s ASP 204 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 2ikk s ASP 204 CO 0.00 -1.39 1.25 0.00 0.21 0.00 0.00 175.17 175.24 2ikk s ALA 205 N -1.45 3.48 0.04 5.23 0.00 -1.26 -1.00 121.76 126.79 2ikk s ALA 205 Ca 0.71 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.76 2ikk s ALA 205 Cb -0.34 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 2ikk s ALA 205 CO 0.40 -0.45 -0.15 -0.51 0.00 0.00 0.00 175.76 175.04 2ikk s LEU 206 N -0.30 2.17 0.27 0.00 1.43 0.02 -2.44 118.68 119.82 2ikk s LEU 206 Ca 0.54 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 2ikk s LEU 206 Cb -0.35 -0.64 -0.09 0.00 0.03 0.00 0.00 46.19 45.14 2ikk s LEU 206 CO 0.38 0.04 1.03 -0.36 0.23 0.00 0.00 176.35 177.68 2ikk s PHE 207 N -0.86 3.74 -0.17 0.29 0.08 -1.26 -0.93 117.98 118.88 2ikk s PHE 207 Ca 0.02 1.79 0.01 0.00 0.12 0.00 0.00 56.93 58.87 2ikk s PHE 207 Cb -0.08 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.23 2ikk s PHE 207 CO 0.01 -0.14 -0.18 -2.00 -0.10 0.00 0.00 175.22 172.81 2ikk s GLU 208 N -1.36 2.74 -0.26 0.44 2.12 0.12 -4.18 118.70 118.33 2ikk s GLU 208 Ca 0.43 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.94 2ikk s GLU 208 Cb -0.29 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2ikk s GLU 208 CO 0.37 -0.21 0.13 0.42 -0.54 0.00 0.00 175.26 175.43 2ikk s ILE 209 N 1.33 4.79 -0.36 -3.70 -1.09 0.04 -1.75 121.20 120.47 2ikk s ILE 209 Ca 0.04 -0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.36 2ikk s ILE 209 Cb -0.13 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 2ikk s ILE 209 CO -0.12 0.30 0.17 -0.62 -1.23 0.00 0.00 174.94 173.44 2ikk s ASP 210 N 1.65 5.58 -0.13 3.58 -1.08 0.56 -1.00 116.67 125.82 2ikk s ASP 210 Ca 0.07 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 2ikk s ASP 210 Cb -0.15 -1.97 -0.01 0.00 -1.46 0.00 0.00 42.92 39.32 2ikk s ASP 210 CO 0.07 -0.35 -0.14 -0.75 0.52 0.00 0.00 175.17 174.52 2ikk s LYS 211 N 1.51 3.34 -0.12 4.34 2.20 -0.16 -0.33 119.74 130.53 2ikk s LYS 211 Ca 0.01 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2ikk s LYS 211 Cb -0.19 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.51 2ikk s LYS 211 CO 0.05 0.18 -0.17 0.99 -0.36 0.00 0.00 175.35 176.05 2ikk s THR 212 N 0.41 2.72 0.06 3.43 2.01 -0.53 -0.45 115.64 123.29 2ikk s THR 212 Ca -0.11 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.13 2ikk s THR 212 Cb -0.16 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2ikk s THR 212 CO 0.05 0.54 0.11 0.00 -0.69 0.00 0.00 174.62 174.63 2ikk s ALA 213 N 0.34 3.67 0.07 7.40 0.00 -0.51 -1.11 121.76 131.62 2ikk s ALA 213 Ca -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2ikk s ALA 213 Cb -0.17 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2ikk s ALA 213 CO 0.07 0.76 -0.08 -0.06 0.00 0.00 0.00 175.76 176.44 2ikk s PHE 214 N -1.37 0.82 0.00 0.00 0.08 -0.05 -0.95 117.98 116.50 2ikk s PHE 214 Ca 0.29 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2ikk s PHE 214 Cb -0.12 -0.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2ikk s PHE 214 CO 0.22 -0.09 0.00 -2.37 -0.10 0.00 0.00 175.22 172.87 2ikk n THR 215 N 0.80 0.00 -1.42 0.64 5.66 -0.38 -0.69 114.28 118.88 2ikk n THR 215 Ca -0.18 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.37 2ikk n THR 215 Cb 0.57 -0.14 -0.01 0.00 -1.55 0.00 0.00 70.33 69.19 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 -0.89 -1.06 -0.15 1.09 7.64 -1.26 -2.33 113.62 116.66 2ikk n SER 216 Ca 0.00 1.03 -0.02 0.00 1.01 0.00 0.00 58.87 60.89 2ikk n SER 216 Cb 0.00 -1.03 -0.01 0.00 -1.01 0.00 0.00 64.21 62.16 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 1.79 -3.24 -2.73 6.43 3.02 -1.26 -2.87 115.26 116.40 2ikk n ASN 217 Ca 0.14 0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.54 2ikk n ASN 217 Cb 0.32 -0.92 0.01 0.00 -0.61 0.00 0.00 39.78 38.58 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 1.66 -5.43 -4.60 6.41 2.03 -0.98 -4.94 116.55 110.69 2ikk n ASP 218 Ca -0.02 -0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.75 2ikk n ASP 218 Cb 0.07 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 35.95 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 -5.38 3.83 0.35 -0.67 2.00 -1.14 -4.87 119.66 113.79 2ikk s GLN 219 Ca 0.15 0.55 -0.28 0.00 -2.00 0.00 0.00 55.36 53.78 2ikk s GLN 219 Cb -0.07 -3.80 -0.11 0.00 0.80 0.00 0.00 33.01 29.83 2ikk s GLN 219 CO 0.18 -0.94 1.39 -1.25 -0.50 0.00 0.00 175.29 174.18 2ikk s PRO 220 N 3.44 4.24 -0.00 1.67 0.04 -1.26 -1.25 135.00 141.88 2ikk s PRO 220 Ca 0.37 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2ikk s PRO 220 Cb -0.12 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 2ikk s PRO 220 CO 0.19 -0.35 -0.00 0.44 0.04 0.00 0.00 177.00 177.32 2ikk n ILE 221 N 0.70 0.01 -3.59 0.56 -5.35 -0.13 -4.90 119.36 106.66 2ikk n ILE 221 Ca 0.01 -0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.39 2ikk n ILE 221 Cb 0.41 -0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 37.45 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 -2.00 -0.38 0.08 4.28 -0.85 -1.22 -4.37 117.35 112.88 2ikk s TYR 222 Ca -0.00 0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.68 2ikk s TYR 222 Cb 0.00 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 2ikk s TYR 222 CO 0.00 -0.96 -0.10 0.00 -1.52 0.00 0.00 175.55 172.97 2ikk s SER 224 N -2.07 0.43 -0.13 0.00 0.01 0.40 -0.80 113.70 111.55 2ikk s SER 224 Ca -0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2ikk s SER 224 Cb -0.06 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.25 2ikk s SER 224 CO 0.00 -0.22 -0.11 -0.22 0.41 0.00 0.00 173.24 173.10 2ikk s LEU 225 N -1.29 1.44 -0.16 2.44 2.96 0.02 -0.99 118.68 123.10 2ikk s LEU 225 Ca -0.12 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 2ikk s LEU 225 Cb -0.09 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 2ikk s LEU 225 CO -0.00 -0.08 0.00 -0.36 -1.32 0.00 0.00 176.35 174.59 2ikk s PHE 226 N 1.53 3.12 0.41 5.38 0.08 -0.17 -0.57 117.98 127.75 2ikk s PHE 226 Ca 0.04 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.02 2ikk s PHE 226 Cb -0.13 -2.00 -0.06 0.00 -0.57 0.00 0.00 43.02 40.26 2ikk s PHE 226 CO -0.08 0.05 0.11 -0.51 -0.10 0.00 0.00 175.22 174.69 2ikk s LEU 227 N 0.34 3.03 -0.09 -0.37 1.43 -0.01 -0.78 118.68 122.23 2ikk s LEU 227 Ca -0.01 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 51.90 2ikk s LEU 227 Cb -0.13 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2ikk s LEU 227 CO 0.02 -0.49 -0.02 -2.28 0.23 0.00 0.00 176.35 173.81 2ikk s HIS 229 N -2.63 3.09 0.31 0.29 2.46 -1.26 -1.33 115.29 116.22 2ikk s HIS 229 Ca 0.39 0.09 0.33 0.00 0.47 0.00 0.00 55.06 56.33 2ikk s HIS 229 Cb 0.06 -1.80 1.54 0.00 -0.13 0.00 0.00 32.58 32.25 2ikk s HIS 229 CO 0.21 0.37 2.06 1.79 -2.47 0.00 0.00 174.74 176.70 2ikk h THR 230 N 4.31 0.25 0.00 0.89 1.35 -1.82 -1.27 112.91 116.62 2ikk h THR 230 Ca -0.48 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2ikk h THR 230 Cb 1.19 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2ikk h THR 230 CO 0.55 0.07 0.00 0.59 -0.25 0.00 0.00 175.52 176.48 2ikk n ASN 231 N -3.30 0.53 -0.16 5.36 5.03 -1.26 -4.07 115.26 117.39 2ikk n ASN 231 Ca -0.01 0.57 0.08 0.00 0.87 0.00 0.00 54.58 56.09 2ikk n ASN 231 Cb 0.26 -0.70 -0.05 0.00 -1.02 0.00 0.00 39.78 38.26 2ikk n ASN 231 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2ikk n ARG 232 N -2.02 1.68 -4.03 3.52 1.74 -0.48 -4.93 116.66 112.14 2ikk n ARG 232 Ca 0.05 -0.34 -0.09 0.00 -0.77 0.00 0.00 57.85 56.70 2ikk n ARG 232 Cb 0.35 -1.27 -0.11 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.29 0.21 -0.02 1.55 0.11 -1.24 -2.72 120.40 116.01 2ikk s VAL 233 Ca 0.09 -1.20 0.06 0.00 -2.93 0.00 0.00 61.98 58.00 2ikk s VAL 233 Cb 0.13 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2ikk s VAL 233 CO 0.56 -0.63 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.62 2ikk s THR 234 N -2.15 1.53 -0.03 5.04 2.01 -0.00 -4.84 115.64 117.19 2ikk s THR 234 Ca -0.08 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 2ikk s THR 234 Cb -0.05 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2ikk s THR 234 CO -0.03 0.43 0.14 -0.36 -0.69 0.00 0.00 174.62 174.11 2ikk s PHE 235 N -0.39 3.48 -0.05 4.92 0.08 -1.26 -1.51 117.98 123.26 2ikk s PHE 235 Ca 0.06 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.51 2ikk s PHE 235 Cb -0.08 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2ikk s PHE 235 CO -0.00 0.64 -0.19 0.95 -0.10 0.00 0.00 175.22 176.52 2ikk s THR 236 N -1.22 2.66 -0.14 0.64 -4.23 -0.52 -4.95 115.64 107.88 2ikk s THR 236 Ca 0.23 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2ikk s THR 236 Cb -0.12 -2.02 0.03 0.00 1.34 0.00 0.00 72.50 71.73 2ikk s THR 236 CO 0.14 0.58 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.08 2ikk s ILE 237 N -0.48 1.22 0.00 2.99 -1.09 -1.26 0.08 121.20 122.66 2ikk s ILE 237 Ca 0.06 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2ikk s ILE 237 Cb -0.12 -1.24 0.00 0.00 -1.58 0.00 0.00 42.46 39.52 2ikk s ILE 237 CO 0.01 0.33 0.01 -0.46 -1.23 0.00 0.00 174.94 173.61