#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk s THR 6 N 0.00 4.76 0.29 3.45 -4.23 -1.26 -4.82 115.64 113.83 1ibk s THR 6 Ca 0.00 0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1ibk s THR 6 Cb 0.00 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.26 1ibk s THR 6 CO 0.00 -0.98 1.93 0.40 -0.54 0.00 0.00 174.62 175.43 1ibk h ILE 7 N 0.04 1.15 -0.18 2.99 1.08 -2.05 0.62 117.51 121.15 1ibk h ILE 7 Ca -0.45 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1ibk h ILE 7 Cb 1.19 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1ibk h ILE 7 CO 0.62 0.21 0.11 -1.13 -0.69 0.00 0.00 178.15 177.27 1ibk h ASN 8 N 1.13 0.22 -0.71 1.72 -1.24 -1.99 0.85 115.58 115.56 1ibk h ASN 8 Ca 0.37 -0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.41 1ibk h ASN 8 Cb 0.03 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 38.97 1ibk h ASN 8 CO -0.11 0.19 0.39 1.56 -1.29 0.00 0.00 177.43 178.17 1ibk h GLN 9 N 0.23 0.69 0.00 6.67 4.20 -1.31 0.17 115.11 125.75 1ibk h GLN 9 Ca 0.07 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1ibk h GLN 9 Cb 0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1ibk h GLN 9 CO -0.01 0.45 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.33 1ibk h LEU 10 N 0.71 0.00 0.06 1.46 3.38 0.85 0.21 115.31 121.98 1ibk h LEU 10 Ca 0.33 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.04 1ibk h LEU 10 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ibk h LEU 10 CO -0.21 0.20 -1.03 0.58 0.09 0.00 0.00 178.44 178.07 1ibk h VAL 11 N 0.00 1.32 -0.21 1.22 2.07 0.14 0.38 116.25 121.17 1ibk h VAL 11 Ca -0.00 -2.32 -0.18 0.00 0.82 0.00 0.00 66.70 65.02 1ibk h VAL 11 Cb 0.43 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1ibk h VAL 11 CO 0.03 0.70 -0.59 0.03 0.02 0.00 0.00 177.57 177.75 1ibk h ARG 12 N 0.20 0.69 0.00 1.57 3.08 -0.21 -3.38 114.38 116.33 1ibk h ARG 12 Ca -0.15 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1ibk h ARG 12 Cb 1.71 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.83 1ibk h ARG 12 CO 0.20 1.08 -0.99 1.63 -1.07 0.00 0.00 179.97 180.82 1ibk n LYS 13 N -3.96 0.37 -0.50 0.04 5.02 0.69 -5.09 118.16 114.73 1ibk n LYS 13 Ca -0.04 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.32 1ibk n LYS 13 Cb 0.64 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.64 1ibk n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibk n GLY 14 N 2.52 -1.00 3.96 0.72 0.00 0.13 -4.83 105.19 106.69 1ibk n GLY 14 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1ibk n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibk s ARG 15 N -0.89 2.89 -0.21 1.61 1.81 -1.26 -4.92 118.95 117.97 1ibk s ARG 15 Ca 0.00 -0.64 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1ibk s ARG 15 Cb 0.00 -2.56 0.03 0.00 -0.45 0.00 0.00 34.95 31.97 1ibk s ARG 15 CO 0.00 -0.40 -0.15 -2.00 -0.68 0.00 0.00 175.30 172.07 1ibk s GLU 16 N -4.59 2.86 0.42 3.54 2.12 -1.26 -5.12 118.70 116.66 1ibk s GLU 16 Ca 0.51 -0.93 -0.23 0.00 0.36 0.00 0.00 54.97 54.68 1ibk s GLU 16 Cb -0.10 -2.72 -0.09 0.00 0.26 0.00 0.00 34.13 31.48 1ibk s GLU 16 CO 0.37 -0.30 1.07 0.15 -0.54 0.00 0.00 175.26 176.02 1ibk s LYS 17 N 1.27 4.02 0.44 4.30 -0.14 -1.26 -5.04 119.74 123.34 1ibk s LYS 17 Ca 0.02 1.55 -0.21 0.00 -1.36 0.00 0.00 55.97 55.97 1ibk s LYS 17 Cb -0.15 -2.45 -0.11 0.00 -1.68 0.00 0.00 37.83 33.44 1ibk s LYS 17 CO -0.10 -0.27 0.96 0.08 -0.76 0.00 0.00 175.35 175.26 1ibk s VAL 18 N -1.67 4.34 -0.17 3.17 1.01 -1.26 -5.07 120.40 120.74 1ibk s VAL 18 Ca 0.60 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 1ibk s VAL 18 Cb -0.23 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1ibk s VAL 18 CO 0.28 -0.34 0.07 0.00 0.00 0.00 0.00 175.10 175.12 1ibk s ARG 19 N -3.25 0.22 0.32 2.72 1.70 -1.26 -5.15 118.95 114.25 1ibk s ARG 19 Ca 0.62 -0.16 -0.10 0.00 -0.47 0.00 0.00 55.73 55.62 1ibk s ARG 19 Cb -0.10 -1.89 -0.07 0.00 -0.57 0.00 0.00 34.95 32.33 1ibk s ARG 19 CO 0.15 -0.66 0.66 0.15 -1.08 0.00 0.00 175.30 174.53 1ibk s LYS 20 N 2.07 3.80 0.07 3.89 1.02 -1.26 -5.08 119.74 124.24 1ibk s LYS 20 Ca 0.01 0.37 -0.16 0.00 0.02 0.00 0.00 55.97 56.21 1ibk s LYS 20 Cb -0.16 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1ibk s LYS 20 CO -0.09 0.14 0.50 0.15 -0.92 0.00 0.00 175.35 175.14 1ibk s LYS 21 N -3.35 4.03 -0.43 1.68 1.02 -1.26 -5.04 119.74 116.38 1ibk s LYS 21 Ca 0.49 0.54 -0.26 0.00 0.02 0.00 0.00 55.97 56.77 1ibk s LYS 21 Cb -0.11 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1ibk s LYS 21 CO 0.26 0.62 0.93 0.45 -0.92 0.00 0.00 175.35 176.68 1ibk s SER 22 N -1.27 6.56 0.00 2.83 0.15 -1.26 -4.89 113.70 115.81 1ibk s SER 22 Ca 0.29 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1ibk s SER 22 Cb -0.17 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1ibk s SER 22 CO 0.17 -1.00 0.20 0.29 1.20 0.00 0.00 173.24 174.10 1ibk n LYS 23 N 7.07 0.21 -3.18 5.44 5.02 -1.26 -4.05 118.16 127.41 1ibk n LYS 23 Ca 0.07 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.15 1ibk n LYS 23 Cb 0.48 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.42 1ibk n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ibk n VAL 24 N -0.37 -0.79 -2.32 -0.18 0.31 -1.26 -4.96 118.33 108.76 1ibk n VAL 24 Ca 0.00 -2.92 -0.36 0.00 -0.01 0.00 0.00 64.34 61.05 1ibk n VAL 24 Cb 0.01 -0.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 1ibk n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ibk n PRO 25 N 2.48 2.44 -0.37 5.55 -0.02 -1.26 -4.07 135.00 139.75 1ibk n PRO 25 Ca 0.24 -2.88 0.03 0.00 -2.02 0.00 0.00 63.50 58.87 1ibk n PRO 25 Cb 0.52 -3.60 0.18 0.00 -0.02 0.00 0.00 33.50 30.57 1ibk n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ibk n ALA 26 N 11.16 3.03 -0.30 3.55 0.00 -1.26 -4.98 120.51 131.71 1ibk n ALA 26 Ca 0.47 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 53.11 1ibk n ALA 26 Cb 0.46 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1ibk n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibk n LEU 27 N 0.31 -0.08 0.00 0.00 7.94 -1.26 -4.28 117.00 119.64 1ibk n LEU 27 Ca 0.12 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1ibk n LEU 27 Cb 0.62 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1ibk n LEU 27 CO 0.14 -0.36 0.00 0.29 -1.11 0.00 0.00 177.39 176.35 1ibk n LYS 28 N -1.33 -1.35 -4.35 1.96 5.02 -1.26 -1.44 118.16 115.42 1ibk n LYS 28 Ca -0.00 0.11 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 1ibk n LYS 28 Cb 0.52 -2.93 -0.05 0.00 -0.02 0.00 0.00 35.03 32.55 1ibk n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibk n GLY 29 N 0.23 -0.39 3.95 0.72 0.00 -1.26 -4.91 105.19 103.53 1ibk n GLY 29 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1ibk n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk s ALA 30 N -3.40 3.40 0.19 4.61 0.00 -0.52 -5.01 121.76 121.03 1ibk s ALA 30 Ca 0.68 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.51 1ibk s ALA 30 Cb -0.38 -2.36 0.07 0.00 0.00 0.00 0.00 23.12 20.45 1ibk s ALA 30 CO 0.97 -1.25 1.44 -1.35 0.00 0.00 0.00 175.76 175.57 1ibk h PRO 31 N -0.47 0.06 -3.62 0.00 0.11 -1.91 -3.47 132.00 122.71 1ibk h PRO 31 Ca -0.42 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1ibk h PRO 31 Cb 1.30 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 1ibk h PRO 31 CO 0.53 0.84 -0.08 -0.06 -0.21 0.00 0.00 178.00 179.01 1ibk s PHE 32 N -3.21 0.37 -0.05 0.65 0.08 -1.26 -4.69 117.98 109.86 1ibk s PHE 32 Ca -0.01 -0.74 -0.06 0.00 0.12 0.00 0.00 56.93 56.24 1ibk s PHE 32 Cb 0.11 0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.81 1ibk s PHE 32 CO 0.80 -1.05 0.15 0.50 -0.10 0.00 0.00 175.22 175.52 1ibk s ARG 33 N -3.86 0.22 0.02 0.44 6.06 -1.07 -4.98 118.95 115.77 1ibk s ARG 33 Ca 0.22 0.12 -0.16 0.00 -2.50 0.00 0.00 55.73 53.41 1ibk s ARG 33 Cb -0.01 0.10 -0.06 0.00 0.06 0.00 0.00 34.95 35.04 1ibk s ARG 33 CO 0.10 -0.03 0.47 0.50 -2.50 0.00 0.00 175.30 173.83 1ibk s ARG 34 N -0.13 4.03 0.35 5.12 3.52 -1.26 -0.86 118.95 129.72 1ibk s ARG 34 Ca -0.02 0.53 -0.10 0.00 -0.13 0.00 0.00 55.73 56.00 1ibk s ARG 34 Cb -0.02 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1ibk s ARG 34 CO 0.00 0.65 0.63 0.20 -0.81 0.00 0.00 175.30 175.97 1ibk s GLY 35 N -1.01 0.81 0.02 8.12 0.00 -0.74 -0.89 107.32 113.64 1ibk s GLY 35 Ca 0.26 -1.05 0.08 0.00 0.00 0.00 0.00 44.72 44.01 1ibk s GLY 35 CO 0.15 -0.61 -0.25 0.14 0.00 0.00 0.00 173.10 172.54 1ibk s VAL 36 N -2.86 1.98 0.14 1.40 1.01 0.16 -1.55 120.40 120.67 1ibk s VAL 36 Ca 0.22 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1ibk s VAL 36 Cb -0.03 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1ibk s VAL 36 CO 0.15 0.41 0.12 0.00 0.00 0.00 0.00 175.10 175.78 1ibk n THR 38 N -2.77 0.00 -3.89 0.00 -1.04 -0.94 -4.48 114.28 101.16 1ibk n THR 38 Ca 0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.73 1ibk n THR 38 Cb 0.07 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.44 1ibk n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ibk s VAL 39 N -1.51 2.43 -1.09 12.58 1.01 -1.26 -4.64 120.40 127.92 1ibk s VAL 39 Ca 0.00 -3.39 -0.22 0.00 0.00 0.00 0.00 61.98 58.36 1ibk s VAL 39 Cb 0.00 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1ibk s VAL 39 CO 0.00 -0.87 1.75 -0.69 0.00 0.00 0.00 175.10 175.30 1ibk s VAL 40 N -0.43 3.76 0.00 2.92 1.01 -1.26 -1.43 120.40 124.96 1ibk s VAL 40 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1ibk s VAL 40 Cb -0.21 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1ibk s VAL 40 CO -0.04 -1.49 0.00 -1.14 0.00 0.00 0.00 175.10 172.43 1ibk n ARG 41 N 8.64 3.44 -3.70 2.72 0.63 0.16 -4.91 116.66 123.64 1ibk n ARG 41 Ca 0.41 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.21 1ibk n ARG 41 Cb 0.48 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.30 1ibk n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ibk s THR 42 N 1.39 -0.00 0.25 5.15 2.01 -1.26 -3.33 115.64 119.85 1ibk s THR 42 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1ibk s THR 42 Cb 0.00 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1ibk s THR 42 CO 0.00 0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.25 1ibk s VAL 43 N 0.40 1.08 -0.06 3.82 1.01 0.96 -4.90 120.40 122.70 1ibk s VAL 43 Ca -0.01 -2.04 0.05 0.00 0.00 0.00 0.00 61.98 59.98 1ibk s VAL 43 Cb -0.04 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1ibk s VAL 43 CO -0.01 -0.26 -0.22 0.42 0.00 0.00 0.00 175.10 175.03 1ibk s THR 44 N -3.39 1.84 1.09 3.92 -4.23 -1.26 -0.13 115.64 113.49 1ibk s THR 44 Ca 0.30 -0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 59.70 1ibk s THR 44 Cb 0.06 -1.58 0.08 0.00 1.34 0.00 0.00 72.50 72.41 1ibk s THR 44 CO 0.10 0.52 0.01 -2.65 -0.54 0.00 0.00 174.62 172.06 1ibk n PRO 45 N 3.18 -1.33 -0.44 3.99 -0.02 -1.26 -4.90 135.00 134.22 1ibk n PRO 45 Ca -0.18 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 60.93 1ibk n PRO 45 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1ibk n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ibk n LYS 46 N -1.83 1.70 0.00 -0.52 4.81 -0.90 -4.79 118.16 116.62 1ibk n LYS 46 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ibk n LYS 46 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 1ibk n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ibk n LYS 47 N -0.53 0.00 -0.14 1.64 5.02 -1.26 -0.67 118.16 122.22 1ibk n LYS 47 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1ibk n LYS 47 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.16 1ibk n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ibk n PRO 48 N 0.00 1.39 -4.54 1.97 -0.04 -1.26 -5.05 135.00 127.47 1ibk n PRO 48 Ca 0.00 -2.66 -0.26 0.00 -0.04 0.00 0.00 63.50 60.53 1ibk n PRO 48 Cb 0.00 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 1ibk n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ibk s ASN 49 N -2.86 3.82 -0.14 3.54 0.02 0.15 -5.13 114.94 114.34 1ibk s ASN 49 Ca 0.33 -1.23 -0.11 0.00 -1.02 0.00 0.00 52.86 50.83 1ibk s ASN 49 Cb 0.29 -0.38 0.04 0.00 0.02 0.00 0.00 41.25 41.22 1ibk s ASN 49 CO 0.02 -0.29 0.35 -0.55 0.02 0.00 0.00 177.10 176.66 1ibk s SER 50 N -3.65 -0.39 0.00 -1.22 0.15 -1.26 -4.40 113.70 102.94 1ibk s SER 50 Ca 0.34 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1ibk s SER 50 Cb 0.05 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1ibk s SER 50 CO 0.17 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.47 1ibk n ALA 51 N 3.31 0.00 -2.15 5.45 0.00 -1.26 -4.97 120.51 120.89 1ibk n ALA 51 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1ibk n ALA 51 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1ibk n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ibk s LEU 52 N 0.00 3.26 -0.23 0.00 1.43 -1.26 -4.21 118.68 117.66 1ibk s LEU 52 Ca 0.00 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 1ibk s LEU 52 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1ibk s LEU 52 CO 0.00 -2.31 1.15 -0.13 0.23 0.00 0.00 176.35 175.29 1ibk s ARG 53 N 6.72 4.19 -0.04 1.70 3.00 0.82 -4.80 118.95 130.53 1ibk s ARG 53 Ca 0.61 1.41 -0.30 0.00 0.00 0.00 0.00 55.73 57.45 1ibk s ARG 53 Cb -0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 34.95 31.08 1ibk s ARG 53 CO 0.15 -0.75 1.32 0.15 0.00 0.00 0.00 175.30 176.17 1ibk s LYS 54 N 3.47 4.30 0.05 3.54 3.01 -1.26 -0.03 119.74 132.82 1ibk s LYS 54 Ca 0.49 1.82 0.00 0.00 -1.01 0.00 0.00 55.97 57.28 1ibk s LYS 54 Cb -0.17 -3.61 -0.04 0.00 -1.01 0.00 0.00 37.83 33.00 1ibk s LYS 54 CO 0.12 -0.56 -0.04 0.08 0.51 0.00 0.00 175.35 175.46 1ibk s VAL 55 N 2.54 0.34 -0.01 3.17 1.01 -1.21 -2.55 120.40 123.68 1ibk s VAL 55 Ca 0.60 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1ibk s VAL 55 Cb -0.28 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1ibk s VAL 55 CO 0.23 -0.82 -0.01 0.00 0.00 0.00 0.00 175.10 174.50 1ibk s ALA 56 N -3.14 0.26 0.69 5.51 0.00 -0.89 0.37 121.76 124.57 1ibk s ALA 56 Ca 0.02 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 1ibk s ALA 56 Cb 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1ibk s ALA 56 CO -0.06 -0.00 1.07 0.15 0.00 0.00 0.00 175.76 176.92 1ibk s LYS 57 N 0.45 2.87 -0.12 0.00 -0.14 -0.52 -1.24 119.74 121.04 1ibk s LYS 57 Ca -0.04 1.09 -0.06 0.00 -1.36 0.00 0.00 55.97 55.59 1ibk s LYS 57 Cb -0.07 -1.98 0.05 0.00 -1.68 0.00 0.00 37.83 34.15 1ibk s LYS 57 CO -0.01 -1.16 0.28 0.08 -0.76 0.00 0.00 175.35 173.79 1ibk s VAL 58 N -2.83 -0.07 -0.16 3.17 1.01 0.73 -2.99 120.40 119.26 1ibk s VAL 58 Ca 0.61 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1ibk s VAL 58 Cb -0.16 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1ibk s VAL 58 CO 0.50 0.06 0.43 -0.60 0.00 0.00 0.00 175.10 175.49 1ibk s ARG 59 N 1.39 4.27 0.25 2.72 6.06 0.36 0.59 118.95 134.59 1ibk s ARG 59 Ca -0.09 0.32 0.06 0.00 -2.50 0.00 0.00 55.73 53.52 1ibk s ARG 59 Cb -0.10 -3.47 -0.03 0.00 0.06 0.00 0.00 34.95 31.41 1ibk s ARG 59 CO -0.09 0.09 0.31 -0.51 -2.50 0.00 0.00 175.30 172.60 1ibk s LEU 60 N 0.88 4.13 0.19 -0.88 2.01 0.94 0.38 118.68 126.32 1ibk s LEU 60 Ca 0.22 -0.05 -0.07 0.00 0.01 0.00 0.00 54.13 54.23 1ibk s LEU 60 Cb -0.15 -2.68 0.10 0.00 0.01 0.00 0.00 46.19 43.47 1ibk s LEU 60 CO 0.08 -0.08 1.61 0.71 1.01 0.00 0.00 176.35 179.68 1ibk h THR 61 N 1.26 1.27 0.00 5.49 1.35 -1.30 -1.78 112.91 119.21 1ibk h THR 61 Ca -0.51 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1ibk h THR 61 Cb 1.23 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1ibk h THR 61 CO 0.61 0.45 0.00 -1.54 -0.25 0.00 0.00 175.52 174.78 1ibk n SER 62 N -4.13 0.17 -0.51 5.36 3.41 -1.26 -4.72 113.62 111.94 1ibk n SER 62 Ca 0.01 -0.60 -0.07 0.00 -0.26 0.00 0.00 58.87 57.95 1ibk n SER 62 Cb 0.42 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1ibk n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibk n GLY 63 N 0.11 0.82 3.79 5.00 0.00 -0.67 -5.00 105.19 109.24 1ibk n GLY 63 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1ibk n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ibk s TYR 64 N -1.99 3.39 -0.34 1.61 1.51 -1.24 -4.83 117.35 115.46 1ibk s TYR 64 Ca 0.00 0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1ibk s TYR 64 Cb 0.00 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1ibk s TYR 64 CO 0.00 0.61 0.09 -1.21 -1.11 0.00 0.00 175.55 173.93 1ibk s GLU 65 N -1.16 2.46 0.01 -0.62 8.01 -1.25 0.32 118.70 126.47 1ibk s GLU 65 Ca 0.16 -1.33 -0.03 0.00 0.01 0.00 0.00 54.97 53.79 1ibk s GLU 65 Cb -0.12 -3.40 -0.01 0.00 -4.31 0.00 0.00 34.13 26.29 1ibk s GLU 65 CO 0.06 -0.73 0.03 0.14 0.01 0.00 0.00 175.26 174.77 1ibk s VAL 66 N 1.31 0.10 -0.18 2.63 -7.23 0.20 -4.90 120.40 112.33 1ibk s VAL 66 Ca -0.01 -0.83 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 1ibk s VAL 66 Cb -0.20 -0.33 -0.01 0.00 0.56 0.00 0.00 36.38 36.40 1ibk s VAL 66 CO 0.00 -0.46 0.93 -0.89 -0.31 0.00 0.00 175.10 174.37 1ibk s THR 67 N -1.45 4.80 0.18 5.32 2.01 -1.26 -0.19 115.64 125.05 1ibk s THR 67 Ca -0.15 1.82 0.11 0.00 0.31 0.00 0.00 61.69 63.78 1ibk s THR 67 Cb -0.09 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1ibk s THR 67 CO -0.00 -0.05 -0.20 0.00 -0.69 0.00 0.00 174.62 173.68 1ibk s ALA 68 N 2.49 2.65 0.33 7.40 0.00 -0.37 -3.91 121.76 130.35 1ibk s ALA 68 Ca 0.42 -1.58 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1ibk s ALA 68 Cb -0.16 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 1ibk s ALA 68 CO 0.11 0.45 0.74 -0.47 0.00 0.00 0.00 175.76 176.59 1ibk s TYR 69 N -1.64 3.39 -0.46 0.00 5.04 -0.49 -2.08 117.35 121.12 1ibk s TYR 69 Ca 0.22 1.18 0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1ibk s TYR 69 Cb -0.08 -2.51 0.12 0.00 0.35 0.00 0.00 41.96 39.84 1ibk s TYR 69 CO 0.11 0.06 0.20 0.42 -1.34 0.00 0.00 175.55 175.01 1ibk s ILE 70 N -2.05 2.68 0.61 3.14 1.01 -1.06 -0.37 121.20 125.17 1ibk s ILE 70 Ca 0.53 -2.82 -0.17 0.00 0.00 0.00 0.00 60.65 58.20 1ibk s ILE 70 Cb -0.10 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1ibk s ILE 70 CO 0.20 -0.73 1.11 -2.16 0.00 0.00 0.00 174.94 173.36 1ibk s PRO 71 N 0.28 3.08 0.00 2.79 0.04 -1.26 -4.74 135.00 135.19 1ibk s PRO 71 Ca 0.14 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1ibk s PRO 71 Cb -0.23 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ibk s PRO 71 CO -0.04 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1ibk n GLY 72 N -0.35 2.43 0.00 0.56 0.00 -1.26 -4.92 105.19 101.65 1ibk n GLY 72 Ca 0.11 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1ibk n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ibk n GLU 73 N -0.42 0.00 -4.16 1.61 -0.58 -1.26 -4.89 120.64 110.93 1ibk n GLU 73 Ca 0.00 0.29 -0.18 0.00 -0.42 0.00 0.00 57.16 56.85 1ibk n GLU 73 Cb 0.00 -1.20 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 1ibk n GLU 73 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ibk s GLY 74 N -0.74 0.82 0.00 0.62 0.00 -1.26 -5.11 107.32 101.65 1ibk s GLY 74 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1ibk s GLY 74 CO 0.00 -0.99 0.00 -2.39 0.00 0.00 0.00 173.10 169.72 1ibk n HIS 75 N 1.32 -0.09 -2.74 1.90 1.44 -1.26 -4.72 115.22 111.06 1ibk n HIS 75 Ca -0.21 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.47 1ibk n HIS 75 Cb 0.54 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.74 1ibk n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ibk n ASN 76 N -0.27 0.06 -4.60 4.39 6.94 -1.26 -5.06 115.26 115.46 1ibk n ASN 76 Ca 0.00 -2.21 -0.37 0.00 -0.02 0.00 0.00 54.58 51.98 1ibk n ASN 76 Cb 0.00 0.10 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 1ibk n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ibk s LEU 77 N -3.80 3.96 0.00 -4.53 1.43 -1.26 -4.85 118.68 109.64 1ibk s LEU 77 Ca 0.20 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1ibk s LEU 77 Cb 0.39 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1ibk s LEU 77 CO -0.07 0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.52 1ibk n GLN 78 N 4.64 1.65 0.17 1.70 6.02 -1.26 -4.87 117.38 125.43 1ibk n GLN 78 Ca -0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.70 1ibk n GLN 78 Cb 0.52 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.70 1ibk n GLN 78 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ibk h GLU 79 N 0.00 -0.40 -0.70 -1.09 4.81 -1.95 -3.27 114.58 111.98 1ibk h GLU 79 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ibk h GLU 79 Cb 0.00 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1ibk h GLU 79 CO 0.00 -0.14 0.00 0.72 -0.73 0.00 0.00 179.01 178.86 1ibk n HIS 80 N -5.18 1.17 -2.53 0.92 8.25 -1.26 -2.21 115.22 114.38 1ibk n HIS 80 Ca -0.10 -0.42 -0.40 0.00 -0.26 0.00 0.00 57.72 56.54 1ibk n HIS 80 Cb 0.24 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.01 1ibk n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ibk s SER 81 N -0.55 7.30 -0.09 0.41 1.04 -1.23 -4.72 113.70 115.85 1ibk s SER 81 Ca 0.33 2.20 -0.20 0.00 0.48 0.00 0.00 55.95 58.75 1ibk s SER 81 Cb 0.24 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1ibk s SER 81 CO 0.11 -0.11 0.55 -0.69 0.98 0.00 0.00 173.24 174.08 1ibk s VAL 82 N -1.20 5.12 0.33 5.02 1.01 -1.26 -1.54 120.40 127.87 1ibk s VAL 82 Ca 0.45 1.12 0.04 0.00 0.00 0.00 0.00 61.98 63.59 1ibk s VAL 82 Cb -0.30 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1ibk s VAL 82 CO 0.38 0.32 0.06 0.54 0.00 0.00 0.00 175.10 176.40 1ibk s VAL 83 N 0.58 1.16 -0.15 2.92 0.11 -0.60 -1.07 120.40 123.34 1ibk s VAL 83 Ca 0.30 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.36 1ibk s VAL 83 Cb -0.16 -2.77 0.02 0.00 -1.53 0.00 0.00 36.38 31.94 1ibk s VAL 83 CO 0.13 0.00 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.50 1ibk s LEU 84 N -3.49 1.94 0.33 2.54 2.96 -1.26 -1.78 118.68 119.91 1ibk s LEU 84 Ca 0.36 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 1ibk s LEU 84 Cb 0.08 -1.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.35 1ibk s LEU 84 CO 0.15 0.00 0.76 -0.63 -1.32 0.00 0.00 176.35 175.32 1ibk s ILE 85 N 1.20 4.64 0.00 6.68 1.01 -0.04 -1.23 121.20 133.45 1ibk s ILE 85 Ca 0.01 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1ibk s ILE 85 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1ibk s ILE 85 CO -0.08 -0.18 0.14 -2.11 0.00 0.00 0.00 174.94 172.71 1ibk n ARG 86 N -0.33 0.25 -1.06 2.79 1.85 -0.63 -2.61 116.66 116.92 1ibk n ARG 86 Ca 0.04 -0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1ibk n ARG 86 Cb 0.53 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 31.37 1ibk n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ibk n GLY 87 N 0.08 -4.26 0.00 2.89 0.00 -1.25 -4.77 105.19 97.88 1ibk n GLY 87 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1ibk n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 88 N -0.12 1.84 3.36 -0.02 0.00 -0.38 -4.36 105.19 105.51 1ibk n GLY 88 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1ibk n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibk s ARG 89 N -0.29 -2.60 -0.23 1.61 0.52 -0.80 -2.96 118.95 114.21 1ibk s ARG 89 Ca 0.00 0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1ibk s ARG 89 Cb 0.00 -1.42 0.07 0.00 0.52 0.00 0.00 34.95 34.12 1ibk s ARG 89 CO 0.00 -4.66 0.06 0.08 0.02 0.00 0.00 175.30 170.80 1ibk s VAL 90 N -2.41 0.52 0.08 3.52 1.01 -1.17 -4.82 120.40 117.12 1ibk s VAL 90 Ca 0.69 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 1ibk s VAL 90 Cb -0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1ibk s VAL 90 CO 0.58 -0.36 0.77 1.17 0.00 0.00 0.00 175.10 177.26 1ibk n LYS 91 N 5.04 -0.22 0.23 2.72 3.00 -1.26 -0.80 118.16 126.86 1ibk n LYS 91 Ca -0.07 0.76 0.15 0.00 -0.00 0.00 0.00 58.31 59.15 1ibk n LYS 91 Cb 0.46 -1.12 0.61 0.00 0.00 0.00 0.00 35.03 34.98 1ibk n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1ibk h ASP 92 N 0.00 0.00 -3.89 3.14 3.32 -1.97 -3.41 116.42 113.62 1ibk h ASP 92 Ca 0.08 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.38 1ibk h ASP 92 Cb 0.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.45 1ibk h ASP 92 CO -0.46 0.00 -0.15 -0.76 -1.72 0.00 0.00 179.24 176.15 1ibk s LEU 93 N -5.62 6.01 0.45 1.55 1.43 0.02 -2.11 118.68 120.41 1ibk s LEU 93 Ca 0.02 -2.67 -0.23 0.00 -1.03 0.00 0.00 54.13 50.22 1ibk s LEU 93 Cb 0.09 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 1ibk s LEU 93 CO 0.50 -0.51 0.97 -2.65 0.23 0.00 0.00 176.35 174.89 1ibk n PRO 94 N 3.88 1.23 0.00 1.29 -0.02 -1.26 -1.13 135.00 139.00 1ibk n PRO 94 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1ibk n PRO 94 Cb 0.42 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1ibk n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibk n GLY 95 N 1.24 2.87 3.66 -1.23 0.00 -1.26 -4.99 105.19 105.49 1ibk n GLY 95 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ibk n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibk s VAL 96 N -1.35 4.94 0.00 1.61 1.01 -0.28 -4.57 120.40 121.76 1ibk s VAL 96 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1ibk s VAL 96 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1ibk s VAL 96 CO 0.00 0.06 0.25 0.54 0.00 0.00 0.00 175.10 175.95 1ibk n ARG 97 N 5.17 0.33 -3.98 2.72 1.74 -1.25 -3.06 116.66 118.33 1ibk n ARG 97 Ca 0.02 -0.25 -0.09 0.00 -0.77 0.00 0.00 57.85 56.76 1ibk n ARG 97 Cb 0.49 -0.71 -0.11 0.00 -1.02 0.00 0.00 32.46 31.11 1ibk n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ibk s TYR 98 N -0.12 0.26 0.24 -1.55 1.51 -1.16 -1.25 117.35 115.29 1ibk s TYR 98 Ca 0.00 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.57 1ibk s TYR 98 Cb 0.00 -0.19 -0.03 0.00 -0.11 0.00 0.00 41.96 41.62 1ibk s TYR 98 CO 0.00 -0.24 0.30 -1.01 -1.11 0.00 0.00 175.55 173.49 1ibk s HIS 99 N -1.82 3.33 0.06 2.71 3.76 -1.19 -1.39 115.29 120.75 1ibk s HIS 99 Ca -0.12 -0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 1ibk s HIS 99 Cb -0.07 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 1ibk s HIS 99 CO -0.02 0.47 0.30 0.42 -0.85 0.00 0.00 174.74 175.06 1ibk s ILE 100 N -2.03 5.26 -0.28 0.60 1.01 0.50 -1.60 121.20 124.66 1ibk s ILE 100 Ca 0.34 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.90 1ibk s ILE 100 Cb -0.09 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1ibk s ILE 100 CO 0.27 0.24 0.47 -0.69 0.00 0.00 0.00 174.94 175.23 1ibk s VAL 101 N -1.43 5.09 0.07 2.92 1.01 -0.37 -4.62 120.40 123.07 1ibk s VAL 101 Ca 0.33 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.76 1ibk s VAL 101 Cb -0.13 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1ibk s VAL 101 CO 0.20 0.05 0.63 -0.13 0.00 0.00 0.00 175.10 175.85 1ibk s ARG 102 N 2.24 4.32 0.00 2.72 0.52 -1.26 -3.73 118.95 123.77 1ibk s ARG 102 Ca 0.19 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 1ibk s ARG 102 Cb -0.16 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1ibk s ARG 102 CO 0.10 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.37 1ibk n GLY 103 N 1.90 0.65 3.00 -3.53 0.00 0.15 -3.27 105.19 104.09 1ibk n GLY 103 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1ibk n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibk s VAL 104 N -2.00 1.30 0.00 1.61 1.01 -1.23 -4.92 120.40 116.18 1ibk s VAL 104 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1ibk s VAL 104 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1ibk s VAL 104 CO 0.00 0.41 0.00 -1.22 0.00 0.00 0.00 175.10 174.29 1ibk n TYR 105 N 4.47 -0.33 0.00 5.22 0.53 -1.26 -3.66 117.16 122.13 1ibk n TYR 105 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 1ibk n TYR 105 Cb 0.51 0.08 0.00 0.00 -1.03 0.00 0.00 39.34 38.90 1ibk n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1ibk n ASP 106 N -1.25 0.00 -4.40 7.72 10.43 -0.23 -4.29 116.55 124.52 1ibk n ASP 106 Ca 0.00 0.27 -0.44 0.00 2.57 0.00 0.00 54.79 57.19 1ibk n ASP 106 Cb 0.00 -0.27 -0.03 0.00 1.84 0.00 0.00 41.12 42.65 1ibk n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ibk s ALA 107 N -2.48 3.44 1.05 2.24 0.00 -1.24 -4.78 121.76 120.00 1ibk s ALA 107 Ca 0.00 -2.48 -0.14 0.00 0.00 0.00 0.00 51.96 49.34 1ibk s ALA 107 Cb 0.00 -3.74 0.15 0.00 0.00 0.00 0.00 23.12 19.53 1ibk s ALA 107 CO 0.00 -2.60 0.61 0.00 0.00 0.00 0.00 175.76 173.77 1ibk n ALA 108 N 6.29 -2.75 -1.00 0.00 0.00 -1.26 -0.68 120.51 121.11 1ibk n ALA 108 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1ibk n ALA 108 Cb 0.46 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1ibk n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibk n GLY 109 N 1.27 -2.13 2.75 0.00 0.00 -1.26 -3.75 105.19 102.06 1ibk n GLY 109 Ca 0.05 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1ibk n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibk s VAL 110 N 0.00 0.10 0.35 1.61 1.01 -1.20 -4.79 120.40 117.48 1ibk s VAL 110 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 1ibk s VAL 110 Cb 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1ibk s VAL 110 CO 0.00 0.18 1.18 -0.54 0.00 0.00 0.00 175.10 175.92 1ibk s LYS 111 N 1.65 4.27 0.00 2.72 1.02 -1.26 -3.30 119.74 124.84 1ibk s LYS 111 Ca -0.01 1.92 0.00 0.00 0.02 0.00 0.00 55.97 57.90 1ibk s LYS 111 Cb -0.13 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1ibk s LYS 111 CO -0.03 -0.16 0.00 -0.25 -0.92 0.00 0.00 175.35 173.99 1ibk n ASP 112 N 0.51 -0.26 -4.63 2.83 9.92 -1.26 -4.90 116.55 118.76 1ibk n ASP 112 Ca 0.02 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.85 1ibk n ASP 112 Cb 0.45 -2.34 -0.03 0.00 -0.64 0.00 0.00 41.12 38.57 1ibk n ASP 112 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ibk s ARG 113 N -0.96 3.81 -0.16 -1.24 3.00 -1.21 -4.84 118.95 117.35 1ibk s ARG 113 Ca 0.00 1.81 0.18 0.00 -1.00 0.00 0.00 55.73 56.71 1ibk s ARG 113 Cb 0.00 -4.06 0.42 0.00 0.00 0.00 0.00 34.95 31.31 1ibk s ARG 113 CO 0.00 -1.29 1.30 1.63 0.00 0.00 0.00 175.30 176.95 1ibk n LYS 114 N 7.68 2.22 0.00 5.12 5.02 -1.26 -4.90 118.16 132.04 1ibk n LYS 114 Ca 0.19 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1ibk n LYS 114 Cb 0.45 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1ibk n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ibk n LYS 115 N -0.91 0.00 -0.16 1.97 5.02 -1.26 -4.89 118.16 117.93 1ibk n LYS 115 Ca 0.19 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1ibk n LYS 115 Cb 0.78 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.78 1ibk n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ibk n SER 116 N 0.00 0.99 -0.20 4.39 7.64 -1.26 -4.58 113.62 120.60 1ibk n SER 116 Ca 0.00 -1.92 0.06 0.00 1.01 0.00 0.00 58.87 58.02 1ibk n SER 116 Cb 0.00 -0.48 0.33 0.00 -1.01 0.00 0.00 64.21 63.05 1ibk n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ibk h ARG 117 N 6.89 0.79 -0.47 1.43 3.08 -1.90 -2.71 114.38 121.50 1ibk h ARG 117 Ca 0.08 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1ibk h ARG 117 Cb 0.09 -0.18 -0.10 0.00 0.08 0.00 0.00 29.97 29.87 1ibk h ARG 117 CO 0.88 0.52 -0.33 0.77 -1.07 0.00 0.00 179.97 180.74 1ibk h SER 118 N 0.82 -1.12 -3.60 7.04 0.02 -1.87 -1.90 113.55 112.94 1ibk h SER 118 Ca 0.32 0.20 -0.51 0.00 -0.84 0.00 0.00 61.79 60.96 1ibk h SER 118 Cb 0.23 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1ibk h SER 118 CO -0.11 -0.31 0.27 -0.54 -1.14 0.00 0.00 176.83 175.00 1ibk s LYS 119 N -5.99 4.69 0.00 3.45 3.01 -1.02 -2.67 119.74 121.20 1ibk s LYS 119 Ca -0.15 1.32 0.00 0.00 -1.01 0.00 0.00 55.97 56.13 1ibk s LYS 119 Cb 0.14 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.66 1ibk s LYS 119 CO 0.68 0.46 0.00 0.66 0.51 0.00 0.00 175.35 177.67 1ibk n TYR 120 N 1.88 0.00 -1.06 3.18 0.53 -1.24 -4.72 117.16 115.72 1ibk n TYR 120 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.85 1ibk n TYR 120 Cb 0.48 -0.16 0.00 0.00 -1.03 0.00 0.00 39.34 38.63 1ibk n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ibk n GLY 121 N -2.64 0.00 3.32 2.72 0.00 -0.73 -3.24 105.19 104.62 1ibk n GLY 121 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ibk n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibk s THR 122 N -0.85 2.92 0.84 2.61 -4.23 -1.11 -4.33 115.64 111.49 1ibk s THR 122 Ca 0.00 -0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.68 1ibk s THR 122 Cb 0.00 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.66 1ibk s THR 122 CO 0.00 0.51 0.84 0.29 -0.54 0.00 0.00 174.62 175.73 1ibk n LYS 123 N 3.82 -0.00 -1.78 3.99 4.76 -1.26 -4.79 118.16 122.90 1ibk n LYS 123 Ca -0.18 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 1ibk n LYS 123 Cb 0.52 -2.15 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 1ibk n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ibk s LYS 124 N -3.77 4.16 0.05 1.97 2.47 -1.26 -4.89 119.74 118.47 1ibk s LYS 124 Ca 0.67 2.49 -0.30 0.00 -1.56 0.00 0.00 55.97 57.27 1ibk s LYS 124 Cb -0.27 -3.84 -0.09 0.00 -1.46 0.00 0.00 37.83 32.16 1ibk s LYS 124 CO 0.58 -0.86 1.91 -1.25 0.16 0.00 0.00 175.35 175.89 1ibk s PRO 125 N 3.49 4.14 -0.97 4.03 0.04 -1.26 -4.79 135.00 139.68 1ibk s PRO 125 Ca 0.81 2.58 -0.25 0.00 0.04 0.00 0.00 61.00 64.18 1ibk s PRO 125 Cb -0.42 -4.02 -0.21 0.00 0.04 0.00 0.00 34.50 29.89 1ibk s PRO 125 CO 0.36 -0.92 2.15 0.36 0.04 0.00 0.00 177.00 179.00 1ibk n LYS 126 N 7.08 0.20 -1.66 4.56 -0.00 -1.26 -4.88 118.16 122.21 1ibk n LYS 126 Ca 0.19 -1.40 -0.43 0.00 -0.00 0.00 0.00 58.31 56.67 1ibk n LYS 126 Cb 0.41 -3.74 -0.01 0.00 -0.00 0.00 0.00 35.03 31.69 1ibk n LYS 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ibk n GLU 127 N 8.13 1.83 0.00 -1.58 0.28 -1.26 -5.33 120.64 122.72 1ibk n GLU 127 Ca 0.41 0.65 0.00 0.00 -0.16 0.00 0.00 57.16 58.06 1ibk n GLU 127 Cb 0.46 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1ibk n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97