#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n ARG 12 N 0.00 0.00 -2.10 1.97 1.74 -1.26 -5.11 116.66 111.90 1ibk n ARG 12 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1ibk n ARG 12 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1ibk n ARG 12 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ibk n GLN 13 N 0.00 -3.15 -0.02 5.56 1.13 -1.03 -5.05 117.38 114.82 1ibk n GLN 13 Ca 0.00 2.51 -0.03 0.00 -1.94 0.00 0.00 57.00 57.54 1ibk n GLN 13 Cb 0.00 -3.53 -0.02 0.00 0.11 0.00 0.00 30.24 26.80 1ibk n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ibk n VAL 14 N 1.14 0.28 0.00 5.09 0.31 -0.58 -5.00 118.33 119.57 1ibk n VAL 14 Ca -0.19 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1ibk n VAL 14 Cb 0.29 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1ibk n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibk n ALA 15 N -2.60 0.00 -2.43 3.52 0.00 -1.16 -4.87 120.51 112.97 1ibk n ALA 15 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1ibk n ALA 15 Cb 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 1ibk n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ibk s SER 16 N -1.90 3.52 0.00 0.00 1.04 -1.25 0.27 113.70 115.38 1ibk s SER 16 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1ibk s SER 16 Cb 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1ibk s SER 16 CO 0.00 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1ibk n GLY 17 N 0.84 1.05 3.92 7.32 0.00 -0.85 -4.13 105.19 113.33 1ibk n GLY 17 Ca -0.17 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1ibk n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibk s ARG 18 N 1.07 3.44 -0.33 1.61 3.00 0.58 -1.40 118.95 126.92 1ibk s ARG 18 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 55.73 55.30 1ibk s ARG 18 Cb 0.00 -3.04 0.10 0.00 0.00 0.00 0.00 34.95 32.01 1ibk s ARG 18 CO 0.00 0.61 0.09 0.00 0.00 0.00 0.00 175.30 176.00 1ibk s ALA 19 N -1.51 2.11 -0.22 2.13 0.00 -0.92 0.12 121.76 123.46 1ibk s ALA 19 Ca 0.35 -2.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.05 1ibk s ALA 19 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1ibk s ALA 19 CO 0.28 -1.70 0.57 0.71 0.00 0.00 0.00 175.76 175.62 1ibk s TYR 20 N 1.25 3.33 -0.32 0.00 1.51 -0.22 -0.73 117.35 122.17 1ibk s TYR 20 Ca 0.11 0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 56.92 1ibk s TYR 20 Cb -0.18 -2.75 0.04 0.00 -0.11 0.00 0.00 41.96 38.97 1ibk s TYR 20 CO -0.17 -0.20 0.06 0.42 -1.11 0.00 0.00 175.55 174.55 1ibk s ILE 21 N 2.01 3.43 -1.00 2.71 1.01 -0.06 -0.16 121.20 129.13 1ibk s ILE 21 Ca 0.25 -1.25 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1ibk s ILE 21 Cb -0.16 -2.96 0.25 0.00 0.01 0.00 0.00 42.46 39.61 1ibk s ILE 21 CO 0.09 -0.15 0.98 -2.28 0.00 0.00 0.00 174.94 173.58 1ibk s HIS 22 N 1.33 4.07 0.41 3.97 5.65 -0.39 -1.01 115.29 129.33 1ibk s HIS 22 Ca -0.03 -2.42 -0.18 0.00 0.25 0.00 0.00 55.06 52.69 1ibk s HIS 22 Cb -0.20 -3.84 -0.09 0.00 -1.18 0.00 0.00 32.58 27.27 1ibk s HIS 22 CO 0.01 -0.97 0.88 0.00 -0.65 0.00 0.00 174.74 174.01 1ibk s ALA 23 N -0.68 3.15 0.23 1.58 0.00 -0.73 -2.79 121.76 122.52 1ibk s ALA 23 Ca 0.26 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1ibk s ALA 23 Cb -0.10 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1ibk s ALA 23 CO -0.08 0.11 0.79 0.45 0.00 0.00 0.00 175.76 177.02 1ibk s SER 24 N -2.45 -0.26 0.00 0.00 0.15 -0.86 -3.37 113.70 106.91 1ibk s SER 24 Ca 0.58 -0.49 0.22 0.00 0.70 0.00 0.00 55.95 56.97 1ibk s SER 24 Cb -0.10 0.64 1.27 0.00 -1.71 0.00 0.00 66.02 66.13 1ibk s SER 24 CO 0.19 -1.17 1.83 -1.22 1.20 0.00 0.00 173.24 174.07 1ibk n TYR 25 N -0.45 0.01 -0.01 3.44 4.02 -1.23 -3.64 117.16 119.31 1ibk n TYR 25 Ca -0.06 -0.01 0.02 0.00 -0.01 0.00 0.00 57.90 57.84 1ibk n TYR 25 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.88 1ibk n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1ibk n ASN 26 N -0.73 3.79 0.00 7.72 3.02 -1.26 -4.86 115.26 122.93 1ibk n ASN 26 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1ibk n ASN 26 Cb 0.10 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 1ibk n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ibk n ASN 27 N -1.78 0.00 -3.65 6.41 5.15 -1.24 -3.93 115.26 116.21 1ibk n ASN 27 Ca -0.02 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.81 1ibk n ASN 27 Cb 0.24 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.36 1ibk n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ibk s THR 28 N -2.00 -0.37 0.01 -0.44 2.01 -1.26 -2.02 115.64 111.57 1ibk s THR 28 Ca 0.00 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1ibk s THR 28 Cb 0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 1ibk s THR 28 CO 0.00 0.11 -0.08 0.27 -0.69 0.00 0.00 174.62 174.23 1ibk s ILE 29 N 2.38 3.56 -0.07 1.82 -5.25 -1.12 -2.88 121.20 119.65 1ibk s ILE 29 Ca 0.02 -0.83 0.04 0.00 -0.99 0.00 0.00 60.65 58.89 1ibk s ILE 29 Cb -0.12 -2.55 0.00 0.00 2.95 0.00 0.00 42.46 42.74 1ibk s ILE 29 CO -0.08 0.38 -0.19 -0.69 -1.79 0.00 0.00 174.94 172.56 1ibk s VAL 30 N -1.00 1.64 -0.21 8.37 1.01 0.15 -1.26 120.40 129.10 1ibk s VAL 30 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ibk s VAL 30 Cb -0.11 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1ibk s VAL 30 CO 0.08 0.47 -0.06 -0.89 0.00 0.00 0.00 175.10 174.69 1ibk s THR 31 N 0.28 1.44 -0.05 3.92 2.01 0.77 -0.92 115.64 123.10 1ibk s THR 31 Ca -0.12 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 60.67 1ibk s THR 31 Cb -0.15 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1ibk s THR 31 CO 0.05 0.01 0.55 -0.63 -0.69 0.00 0.00 174.62 173.91 1ibk s ILE 32 N 1.46 5.03 0.14 1.82 -1.09 0.23 -1.06 121.20 127.74 1ibk s ILE 32 Ca -0.03 1.13 -0.02 0.00 -2.23 0.00 0.00 60.65 59.50 1ibk s ILE 32 Cb -0.17 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1ibk s ILE 32 CO -0.07 0.38 0.10 0.28 -1.23 0.00 0.00 174.94 174.40 1ibk s THR 33 N 0.13 0.09 0.87 2.92 -1.32 0.33 0.35 115.64 119.01 1ibk s THR 33 Ca 0.29 -1.83 -0.12 0.00 -1.21 0.00 0.00 61.69 58.83 1ibk s THR 33 Cb -0.17 -2.04 0.11 0.00 -1.51 0.00 0.00 72.50 68.89 1ibk s THR 33 CO 0.14 -0.41 1.10 1.51 -2.21 0.00 0.00 174.62 174.75 1ibk s ASP 34 N -3.04 3.80 0.00 8.08 -4.77 -1.19 0.22 116.67 119.77 1ibk s ASP 34 Ca 0.24 1.36 0.00 0.00 -3.30 0.00 0.00 52.55 50.84 1ibk s ASP 34 Cb 0.07 -2.05 0.00 0.00 -1.09 0.00 0.00 42.92 39.85 1ibk s ASP 34 CO 0.02 -2.41 0.19 -2.65 0.70 0.00 0.00 175.17 171.02 1ibk n PRO 35 N -3.72 0.00 -0.00 2.11 -0.02 -1.26 0.98 135.00 133.09 1ibk n PRO 35 Ca 0.07 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.60 1ibk n PRO 35 Cb 0.56 -1.20 -0.07 0.00 -0.02 0.00 0.00 33.50 32.76 1ibk n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ibk n ASP 36 N -0.67 2.06 0.00 2.55 10.43 -1.26 -5.00 116.55 124.66 1ibk n ASP 36 Ca 0.00 -0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.17 1ibk n ASP 36 Cb 0.00 1.35 0.00 0.00 1.84 0.00 0.00 41.12 44.31 1ibk n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ibk n GLY 37 N 1.73 0.22 3.57 0.44 0.00 0.28 -5.03 105.19 106.40 1ibk n GLY 37 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ibk n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibk s ASN 38 N -2.32 5.83 0.02 1.61 0.02 -1.26 -4.76 114.94 114.08 1ibk s ASN 38 Ca 0.00 0.35 -0.35 0.00 -1.02 0.00 0.00 52.86 51.84 1ibk s ASN 38 Cb 0.00 -2.54 -0.18 0.00 0.02 0.00 0.00 41.25 38.55 1ibk s ASN 38 CO 0.00 -1.93 0.93 -0.81 0.02 0.00 0.00 177.10 175.30 1ibk n PRO 39 N 8.87 0.00 -0.12 -0.60 -0.04 -1.26 -3.15 135.00 138.69 1ibk n PRO 39 Ca 0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1ibk n PRO 39 Cb 0.50 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1ibk n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ibk n ILE 40 N 1.23 1.53 -3.81 0.52 5.41 0.16 -4.85 119.36 119.54 1ibk n ILE 40 Ca 0.18 -0.24 -0.10 0.00 1.00 0.00 0.00 62.75 63.60 1ibk n ILE 40 Cb 0.09 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 36.99 1ibk n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1ibk s THR 41 N -2.46 0.12 0.18 1.39 -4.23 -0.48 -5.02 115.64 105.15 1ibk s THR 41 Ca -0.35 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 1ibk s THR 41 Cb 0.11 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1ibk s THR 41 CO 0.53 -0.54 0.38 -1.66 -0.54 0.00 0.00 174.62 172.78 1ibk s TRP 42 N -3.43 0.23 -0.19 3.99 1.48 -1.26 0.77 118.94 120.53 1ibk s TRP 42 Ca 0.01 -0.59 -0.28 0.00 -1.06 0.00 0.00 56.10 54.19 1ibk s TRP 42 Cb 0.03 0.11 0.10 0.00 -1.16 0.00 0.00 33.47 32.55 1ibk s TRP 42 CO -0.09 -0.81 0.87 -1.54 -4.06 0.00 0.00 176.95 171.32 1ibk s SER 43 N -2.94 -0.54 0.00 -2.66 1.04 -0.09 -4.80 113.70 103.70 1ibk s SER 43 Ca 0.15 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1ibk s SER 43 Cb 0.02 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1ibk s SER 43 CO -0.00 -0.34 0.00 -1.54 0.98 0.00 0.00 173.24 172.34 1ibk n SER 44 N 1.58 0.65 -0.11 7.02 3.41 -1.26 0.34 113.62 125.23 1ibk n SER 44 Ca -0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.30 1ibk n SER 44 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 1ibk n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibk n GLY 45 N 5.00 -0.46 0.16 5.00 0.00 -1.14 -3.78 105.19 109.97 1ibk n GLY 45 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1ibk n GLY 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibk h GLY 46 N 2.19 0.00 1.90 -0.02 0.00 -1.72 -0.91 103.07 104.52 1ibk h GLY 46 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1ibk h GLY 46 CO -0.06 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.03 1ibk n VAL 47 N -2.41 1.57 -3.42 4.60 3.14 -1.25 -2.36 118.33 118.20 1ibk n VAL 47 Ca 0.02 0.39 -0.26 0.00 -2.96 0.00 0.00 64.34 61.53 1ibk n VAL 47 Cb 0.25 -1.33 -0.09 0.00 -1.06 0.00 0.00 33.84 31.61 1ibk n VAL 47 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1ibk n ILE 48 N -1.45 0.74 0.00 1.55 5.41 -0.34 -4.88 119.36 120.38 1ibk n ILE 48 Ca 0.01 -4.51 0.00 0.00 1.00 0.00 0.00 62.75 59.25 1ibk n ILE 48 Cb 0.04 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 36.97 1ibk n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ibk n GLY 49 N 1.49 3.96 1.71 7.39 0.00 -1.00 -4.86 105.19 113.88 1ibk n GLY 49 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1ibk n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ibk n TYR 50 N 14.00 0.00 -0.09 1.61 0.53 -1.26 -4.18 117.16 127.78 1ibk n TYR 50 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.72 1ibk n TYR 50 Cb 0.00 -0.46 -0.10 0.00 -1.03 0.00 0.00 39.34 37.75 1ibk n TYR 50 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 1ibk h LYS 51 N 2.33 0.00 0.00 -0.72 1.57 -1.90 -3.30 116.57 114.55 1ibk h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ibk h LYS 51 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ibk h LYS 51 CO 0.00 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.09 1ibk n GLY 52 N 1.53 -0.12 0.07 3.86 0.00 -1.26 -4.79 105.19 104.48 1ibk n GLY 52 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1ibk n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ibk h SER 53 N 0.00 -0.03 -0.82 1.61 0.87 -1.93 -3.32 113.55 109.94 1ibk h SER 53 Ca 0.00 -0.56 0.24 0.00 -1.23 0.00 0.00 61.79 60.23 1ibk h SER 53 Cb 0.00 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ibk h SER 53 CO 0.00 0.73 1.07 0.08 -0.53 0.00 0.00 176.83 178.18 1ibk h ARG 54 N -0.97 0.00 0.00 2.24 -0.00 -1.92 0.58 114.38 114.32 1ibk h ARG 54 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ibk h ARG 54 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 1ibk h ARG 54 CO 0.01 0.00 0.04 -0.22 -0.00 0.00 0.00 179.97 179.80 1ibk h LYS 55 N 0.00 0.00 0.00 0.08 3.64 -1.77 -1.79 116.57 116.73 1ibk h LYS 55 Ca 0.39 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.44 1ibk h LYS 55 Cb 2.52 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 34.28 1ibk h LYS 55 CO -0.00 0.00 -2.06 0.41 -2.27 0.00 0.00 179.45 175.53 1ibk n GLY 56 N -1.23 -1.00 3.43 5.01 0.00 0.20 -4.03 105.19 107.58 1ibk n GLY 56 Ca -0.02 -0.19 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 1ibk n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ibk n THR 57 N -2.90 1.92 -0.36 2.61 5.66 -0.67 -4.48 114.28 116.06 1ibk n THR 57 Ca -0.25 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.34 1ibk n THR 57 Cb 1.11 -0.21 0.27 0.00 -1.55 0.00 0.00 70.33 69.94 1ibk n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1ibk h PRO 58 N 1.15 0.88 -0.67 1.09 0.13 -1.25 -0.61 132.00 132.72 1ibk h PRO 58 Ca -0.31 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.87 1ibk h PRO 58 Cb 1.42 -0.20 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 1ibk h PRO 58 CO 0.57 0.58 0.27 -0.92 -0.23 0.00 0.00 178.00 178.28 1ibk h TYR 59 N 0.91 0.47 -0.14 1.56 3.20 -1.87 -0.31 116.97 120.80 1ibk h TYR 59 Ca 0.53 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.48 1ibk h TYR 59 Cb 0.65 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1ibk h TYR 59 CO -0.00 0.12 -0.26 0.00 -1.64 0.00 0.00 178.16 176.38 1ibk h ALA 60 N 1.45 -0.24 -0.89 1.82 0.00 -1.35 0.11 119.26 120.16 1ibk h ALA 60 Ca 0.34 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.51 1ibk h ALA 60 Cb 0.43 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 1ibk h ALA 60 CO -0.32 -0.72 0.38 0.00 0.00 0.00 0.00 179.25 178.59 1ibk h ALA 61 N 0.61 1.41 0.49 0.00 0.00 -0.92 0.08 119.26 120.92 1ibk h ALA 61 Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ibk h ALA 61 Cb 0.48 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ibk h ALA 61 CO -0.32 -0.34 -0.47 0.37 0.00 0.00 0.00 179.25 178.49 1ibk h GLN 62 N 0.40 -0.92 -0.68 0.00 4.15 0.07 0.17 115.11 118.30 1ibk h GLN 62 Ca 0.55 0.06 0.10 0.00 0.77 0.00 0.00 58.65 60.14 1ibk h GLN 62 Cb 1.03 0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 1ibk h GLN 62 CO -0.53 -0.62 0.45 -0.07 -1.93 0.00 0.00 178.83 176.14 1ibk h LEU 63 N -0.96 0.47 0.00 -2.39 3.38 -0.47 -0.39 115.31 114.94 1ibk h LEU 63 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ibk h LEU 63 Cb 0.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ibk h LEU 63 CO -0.06 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1ibk n ALA 64 N -2.49 -0.36 -0.30 1.53 0.00 -0.11 -1.02 120.51 117.75 1ibk n ALA 64 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 1ibk n ALA 64 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1ibk n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibk n ALA 65 N -1.93 -0.46 -0.04 0.00 0.00 0.54 0.19 120.51 118.82 1ibk n ALA 65 Ca 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 53.44 53.96 1ibk n ALA 65 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 1ibk n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ibk h LEU 66 N 0.00 -0.84 -0.02 0.00 3.38 -1.11 0.16 115.31 116.88 1ibk h LEU 66 Ca 0.11 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ibk h LEU 66 Cb 0.29 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ibk h LEU 66 CO -0.67 -0.30 -0.09 -0.78 0.09 0.00 0.00 178.44 176.69 1ibk h ASP 67 N -0.29 -0.29 -1.11 -0.43 3.58 0.15 0.40 116.42 118.42 1ibk h ASP 67 Ca 0.13 0.03 0.31 0.00 0.42 0.00 0.00 57.03 57.92 1ibk h ASP 67 Cb 0.48 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.56 1ibk h ASP 67 CO -0.38 -0.08 0.73 0.00 -2.88 0.00 0.00 179.24 176.63 1ibk h ALA 68 N -1.24 2.47 -0.50 -0.78 0.00 -0.96 0.65 119.26 118.90 1ibk h ALA 68 Ca 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ibk h ALA 68 Cb 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ibk h ALA 68 CO -0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 179.25 178.25 1ibk h ALA 69 N 1.58 0.68 0.51 0.00 0.00 0.13 -0.49 119.26 121.66 1ibk h ALA 69 Ca 0.62 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1ibk h ALA 69 Cb 1.81 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ibk h ALA 69 CO -0.26 0.51 -0.24 0.87 0.00 0.00 0.00 179.25 180.13 1ibk h LYS 70 N 0.76 -0.66 -0.92 0.00 1.57 0.44 -1.01 116.57 116.76 1ibk h LYS 70 Ca 0.14 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.23 1ibk h LYS 70 Cb 0.55 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1ibk h LYS 70 CO 0.03 -0.44 0.77 0.87 -0.57 0.00 0.00 179.45 180.12 1ibk h LYS 71 N -0.80 0.00 -0.01 3.15 1.57 -1.17 0.29 116.57 119.60 1ibk h LYS 71 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1ibk h LYS 71 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1ibk h LYS 71 CO 0.11 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.98 1ibk h ALA 72 N 1.31 0.01 0.00 3.86 0.00 -0.72 -2.87 119.26 120.86 1ibk h ALA 72 Ca 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ibk h ALA 72 Cb 1.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1ibk h ALA 72 CO -0.00 -0.20 0.00 0.52 0.00 0.00 0.00 179.25 179.57 1ibk h MET 73 N -0.52 0.00 -0.23 0.00 2.86 0.89 0.12 114.93 118.05 1ibk h MET 73 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1ibk h MET 73 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1ibk h MET 73 CO 0.00 0.00 -0.29 0.00 1.06 0.00 0.00 176.91 177.69 1ibk h ALA 74 N 2.06 1.09 -0.07 6.32 0.00 -0.99 0.22 119.26 127.88 1ibk h ALA 74 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ibk h ALA 74 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ibk h ALA 74 CO 0.00 0.57 0.00 0.66 0.00 0.00 0.00 179.25 180.48 1ibk n TYR 75 N -4.10 0.18 -1.10 0.00 4.02 -0.00 -4.83 117.16 111.33 1ibk n TYR 75 Ca -0.01 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.90 57.78 1ibk n TYR 75 Cb 0.42 -0.09 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 1ibk n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibk n GLY 76 N 0.30 0.65 3.65 2.72 0.00 0.77 -1.53 105.19 111.74 1ibk n GLY 76 Ca 0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1ibk n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ibk s MET 77 N -2.23 0.72 0.09 1.61 -1.94 -1.01 -3.00 119.30 113.55 1ibk s MET 77 Ca 0.00 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 1ibk s MET 77 Cb 0.00 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 35.13 1ibk s MET 77 CO 0.00 -2.74 0.00 1.04 -0.01 0.00 0.00 175.02 173.31 1ibk n GLN 78 N -4.28 0.00 -5.25 2.03 6.02 0.77 -4.59 117.38 112.08 1ibk n GLN 78 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 1ibk n GLN 78 Cb 0.53 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.63 1ibk n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ibk s SER 79 N -3.26 2.92 0.14 1.08 1.04 -0.71 0.12 113.70 115.04 1ibk s SER 79 Ca 0.00 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1ibk s SER 79 Cb 0.00 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 1ibk s SER 79 CO 0.00 0.30 -0.03 -0.69 0.98 0.00 0.00 173.24 173.80 1ibk s VAL 80 N -0.55 0.72 -0.33 5.02 1.01 0.95 -2.01 120.40 125.21 1ibk s VAL 80 Ca 0.09 -1.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.09 1ibk s VAL 80 Cb -0.10 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.43 1ibk s VAL 80 CO -0.01 -0.66 0.06 -1.81 0.00 0.00 0.00 175.10 172.68 1ibk s ASP 81 N -3.12 4.95 0.03 3.32 1.11 -0.49 0.72 116.67 123.19 1ibk s ASP 81 Ca 0.18 -1.60 -0.30 0.00 0.18 0.00 0.00 52.55 51.01 1ibk s ASP 81 Cb 0.05 -1.72 -0.04 0.00 1.07 0.00 0.00 42.92 42.28 1ibk s ASP 81 CO 0.00 -0.35 0.98 -0.69 1.18 0.00 0.00 175.17 176.29 1ibk s VAL 82 N 1.17 4.75 0.06 -1.27 1.01 0.05 -2.16 120.40 124.01 1ibk s VAL 82 Ca 0.00 2.06 0.09 0.00 0.00 0.00 0.00 61.98 64.13 1ibk s VAL 82 Cb -0.21 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1ibk s VAL 82 CO -0.03 0.21 -0.26 -0.63 0.00 0.00 0.00 175.10 174.39 1ibk s ILE 83 N 0.70 2.09 0.05 2.22 1.01 0.09 -1.32 121.20 126.04 1ibk s ILE 83 Ca 0.51 -1.43 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1ibk s ILE 83 Cb -0.22 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1ibk s ILE 83 CO 0.29 0.29 -0.14 -0.69 0.00 0.00 0.00 174.94 174.68 1ibk s VAL 84 N -0.86 1.11 -0.26 2.92 1.01 0.83 -0.88 120.40 124.27 1ibk s VAL 84 Ca 0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1ibk s VAL 84 Cb -0.10 -1.02 0.15 0.00 0.00 0.00 0.00 36.38 35.41 1ibk s VAL 84 CO 0.03 -0.05 0.42 -0.13 0.00 0.00 0.00 175.10 175.37 1ibk s ARG 85 N -1.29 0.40 0.00 2.72 0.52 -0.18 -0.60 118.95 120.52 1ibk s ARG 85 Ca 0.01 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 1ibk s ARG 85 Cb -0.08 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.11 1ibk s ARG 85 CO 0.01 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.03 1ibk n GLY 86 N 5.37 1.50 2.64 -3.53 0.00 -1.26 -1.77 105.19 108.14 1ibk n GLY 86 Ca -0.02 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 1ibk n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibk s THR 87 N -1.26 0.03 0.10 2.61 2.01 -1.22 -4.79 115.64 113.12 1ibk s THR 87 Ca 0.00 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 1ibk s THR 87 Cb 0.00 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.90 1ibk s THR 87 CO 0.00 -0.25 0.39 -0.83 -0.69 0.00 0.00 174.62 173.25 1ibk s GLY 88 N 2.09 -0.25 0.00 4.40 0.00 -1.26 -3.47 107.32 108.82 1ibk s GLY 88 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 1ibk s GLY 88 CO -0.09 -0.25 1.62 0.00 0.00 0.00 0.00 173.10 174.39 1ibk n ALA 89 N -0.04 3.16 -0.63 3.20 0.00 -1.26 -1.48 120.51 123.46 1ibk n ALA 89 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1ibk n ALA 89 Cb 0.63 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1ibk n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibk n GLY 90 N 2.54 0.35 0.00 0.00 0.00 -1.26 -0.71 105.19 106.10 1ibk n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ibk n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibk n ARG 91 N 0.00 0.00 0.28 1.61 0.00 -0.55 -0.20 116.66 117.81 1ibk n ARG 91 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1ibk n ARG 91 Cb 0.07 -0.84 0.50 0.00 0.00 0.00 0.00 32.46 32.20 1ibk n ARG 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1ibk h GLU 92 N 0.00 0.00 0.09 -0.14 4.57 -1.97 -0.08 114.58 117.06 1ibk h GLU 92 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ibk h GLU 92 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ibk h GLU 92 CO 0.00 0.00 -0.05 1.96 -1.18 0.00 0.00 179.01 179.74 1ibk h GLN 93 N 0.00 -0.12 -0.99 1.92 1.08 -1.88 -2.40 115.11 112.73 1ibk h GLN 93 Ca 0.04 0.01 0.31 0.00 -1.45 0.00 0.00 58.65 57.56 1ibk h GLN 93 Cb 1.30 0.03 -0.15 0.00 -0.05 0.00 0.00 27.48 28.61 1ibk h GLN 93 CO -0.00 0.37 0.54 0.00 -0.95 0.00 0.00 178.83 178.78 1ibk h ALA 94 N -0.34 1.89 -0.02 3.87 0.00 0.14 1.24 119.26 126.03 1ibk h ALA 94 Ca -0.01 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ibk h ALA 94 Cb 0.54 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ibk h ALA 94 CO 0.02 -0.56 0.01 0.82 0.00 0.00 0.00 179.25 179.54 1ibk h ILE 95 N 0.32 1.10 -0.91 0.00 2.04 -1.50 -1.09 117.51 117.46 1ibk h ILE 95 Ca 0.72 -0.28 0.24 0.00 1.00 0.00 0.00 64.86 66.54 1ibk h ILE 95 Cb 1.62 1.25 -0.13 0.00 -0.74 0.00 0.00 36.82 38.81 1ibk h ILE 95 CO -0.61 0.07 0.38 -0.09 0.00 0.00 0.00 178.15 177.91 1ibk h ARG 96 N -0.09 0.33 0.00 2.37 9.65 0.20 0.19 114.38 127.03 1ibk h ARG 96 Ca 0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1ibk h ARG 96 Cb 0.11 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1ibk h ARG 96 CO -0.00 0.22 0.00 0.00 2.80 0.00 0.00 179.97 182.99 1ibk n ALA 97 N -2.52 -0.46 -0.32 2.80 0.00 -0.04 -2.66 120.51 117.32 1ibk n ALA 97 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1ibk n ALA 97 Cb 0.71 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.37 1ibk n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ibk h LEU 98 N 0.00 -0.54 -0.65 0.00 3.38 -0.58 0.38 115.31 117.30 1ibk h LEU 98 Ca 0.00 0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.36 1ibk h LEU 98 Cb 0.00 0.47 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 1ibk h LEU 98 CO 0.00 -0.29 0.01 1.56 0.09 0.00 0.00 178.44 179.81 1ibk h GLN 99 N 0.04 0.12 0.00 1.13 4.20 -0.99 -3.35 115.11 116.25 1ibk h GLN 99 Ca 0.51 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1ibk h GLN 99 Cb 0.94 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1ibk h GLN 99 CO -0.86 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 177.38 1ibk n ALA 100 N -2.82 0.00 -0.34 3.87 0.00 0.13 -4.73 120.51 116.62 1ibk n ALA 100 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ibk n ALA 100 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1ibk n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ibk n SER 101 N 0.00 0.00 0.00 0.00 3.41 -0.99 -3.57 113.62 112.47 1ibk n SER 101 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ibk n SER 101 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ibk n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibk n GLY 102 N 0.00 0.50 3.91 5.00 0.00 -1.26 -5.14 105.19 108.19 1ibk n GLY 102 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ibk n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibk s LEU 103 N 0.00 3.24 -0.55 0.99 1.43 -1.23 -4.95 118.68 117.61 1ibk s LEU 103 Ca 0.00 0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 53.92 1ibk s LEU 103 Cb 0.00 -3.73 0.14 0.00 0.03 0.00 0.00 46.19 42.63 1ibk s LEU 103 CO 0.00 -1.02 0.39 -1.58 0.23 0.00 0.00 176.35 174.37 1ibk s GLN 104 N -5.03 2.50 -0.86 1.70 -0.44 0.33 -4.80 119.66 113.06 1ibk s GLN 104 Ca 0.54 -2.15 -0.25 0.00 -2.50 0.00 0.00 55.36 50.99 1ibk s GLN 104 Cb -0.11 -3.81 -0.03 0.00 -1.64 0.00 0.00 33.01 27.43 1ibk s GLN 104 CO 0.47 -1.17 1.84 0.08 0.50 0.00 0.00 175.29 177.01 1ibk s VAL 105 N 0.62 3.50 0.13 1.34 1.01 -1.26 -0.03 120.40 125.71 1ibk s VAL 105 Ca 0.12 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1ibk s VAL 105 Cb -0.21 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1ibk s VAL 105 CO -0.03 -1.10 1.73 0.11 0.00 0.00 0.00 175.10 175.80 1ibk h LYS 106 N 11.75 0.09 -4.05 2.72 1.79 -0.08 -3.47 116.57 125.33 1ibk h LYS 106 Ca 0.03 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.28 1ibk h LYS 106 Cb 1.04 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.58 1ibk h LYS 106 CO 1.24 0.06 -0.22 -1.54 -1.08 0.00 0.00 179.45 177.92 1ibk s SER 107 N -5.26 0.58 0.02 0.86 1.04 -1.25 -5.03 113.70 104.66 1ibk s SER 107 Ca -0.13 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 54.97 1ibk s SER 107 Cb 0.10 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 1ibk s SER 107 CO 0.69 -1.21 -0.04 -0.63 0.98 0.00 0.00 173.24 173.03 1ibk s ILE 108 N -3.41 0.22 -0.18 -1.02 1.01 -1.25 -0.77 121.20 115.80 1ibk s ILE 108 Ca 0.29 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 1ibk s ILE 108 Cb 0.00 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 42.25 1ibk s ILE 108 CO 0.17 -0.24 0.46 -0.69 0.00 0.00 0.00 174.94 174.63 1ibk s VAL 109 N -0.82 -0.01 -0.36 2.92 1.01 -0.44 -4.98 120.40 117.72 1ibk s VAL 109 Ca -0.07 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1ibk s VAL 109 Cb -0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 1ibk s VAL 109 CO -0.00 0.01 0.43 -0.62 0.00 0.00 0.00 175.10 174.92 1ibk s ASP 110 N 0.55 6.23 -0.29 3.32 -1.08 -1.26 -0.12 116.67 124.03 1ibk s ASP 110 Ca -0.03 -0.24 0.09 0.00 -0.52 0.00 0.00 52.55 51.85 1ibk s ASP 110 Cb -0.04 -2.23 0.47 0.00 -1.46 0.00 0.00 42.92 39.65 1ibk s ASP 110 CO -0.03 -0.44 1.18 -0.67 0.52 0.00 0.00 175.17 175.73 1ibk n ASP 111 N 5.56 4.46 -4.75 -0.34 2.03 0.23 -4.93 116.55 118.82 1ibk n ASP 111 Ca -0.07 -3.51 -0.38 0.00 0.52 0.00 0.00 54.79 51.35 1ibk n ASP 111 Cb 0.49 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.57 1ibk n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ibk s THR 112 N -4.49 2.22 -0.33 5.18 2.01 -1.20 -4.79 115.64 114.24 1ibk s THR 112 Ca 0.48 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 1ibk s THR 112 Cb 0.40 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1ibk s THR 112 CO 0.03 -0.01 0.27 -2.16 -0.69 0.00 0.00 174.62 172.06 1ibk s PRO 113 N -3.02 3.58 0.00 4.92 0.04 -1.26 -5.02 135.00 134.23 1ibk s PRO 113 Ca 0.74 -0.53 0.04 0.00 0.04 0.00 0.00 61.00 61.28 1ibk s PRO 113 Cb -0.38 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 1ibk s PRO 113 CO 0.43 -0.44 -0.08 0.54 0.04 0.00 0.00 177.00 177.49 1ibk s VAL 114 N 1.82 3.52 0.09 -0.36 0.11 -1.26 -5.12 120.40 119.20 1ibk s VAL 114 Ca 0.08 -0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 58.19 1ibk s VAL 114 Cb -0.17 -2.51 -0.06 0.00 -1.53 0.00 0.00 36.38 32.10 1ibk s VAL 114 CO 0.11 0.41 0.48 -2.84 -3.33 0.00 0.00 175.10 169.92 1ibk s PRO 115 N -1.36 3.92 -0.07 1.54 0.02 -1.26 -4.93 135.00 132.86 1ibk s PRO 115 Ca 0.16 0.40 -0.02 0.00 0.02 0.00 0.00 61.00 61.56 1ibk s PRO 115 Cb -0.11 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1ibk s PRO 115 CO 0.07 0.56 2.52 0.72 -0.33 0.00 0.00 177.00 180.53 1ibk n HIS 116 N 1.10 0.30 -2.27 6.54 8.25 -1.26 -4.71 115.22 123.18 1ibk n HIS 116 Ca -0.08 -1.33 -0.03 0.00 -0.26 0.00 0.00 57.72 56.02 1ibk n HIS 116 Cb 0.52 -0.93 -0.02 0.00 1.12 0.00 0.00 29.99 30.68 1ibk n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ibk n ASN 117 N 1.60 -2.52 0.00 0.41 3.02 -1.26 -5.10 115.26 111.41 1ibk n ASN 117 Ca 0.19 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1ibk n ASN 117 Cb 0.63 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 1ibk n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibk n GLY 118 N 0.94 -0.12 3.74 7.41 0.00 -1.26 -5.10 105.19 110.80 1ibk n GLY 118 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1ibk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk s ARG 120 N 0.22 4.18 0.98 0.00 3.52 -1.26 -4.96 118.95 121.62 1ibk s ARG 120 Ca 0.36 2.27 -0.12 0.00 -0.13 0.00 0.00 55.73 58.11 1ibk s ARG 120 Cb -0.19 -3.99 0.18 0.00 -1.56 0.00 0.00 34.95 29.39 1ibk s ARG 120 CO 0.19 -0.86 1.09 -1.25 -0.81 0.00 0.00 175.30 173.67 1ibk s PRO 121 N 4.02 0.57 0.61 5.12 0.04 -1.26 -5.00 135.00 139.10 1ibk s PRO 121 Ca 0.76 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 1ibk s PRO 121 Cb -0.35 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1ibk s PRO 121 CO 0.32 -2.66 1.12 0.15 0.04 0.00 0.00 177.00 175.96 1ibk s LYS 122 N -4.93 3.02 0.31 4.56 1.02 -1.26 -4.67 119.74 117.78 1ibk s LYS 122 Ca 0.65 1.47 0.06 0.00 0.02 0.00 0.00 55.97 58.17 1ibk s LYS 122 Cb -0.19 -1.97 0.83 0.00 -0.52 0.00 0.00 37.83 35.98 1ibk s LYS 122 CO 0.58 -1.09 1.63 -0.22 -0.92 0.00 0.00 175.35 175.33 1ibk h LYS 123 N 0.48 0.16 -1.28 1.68 3.64 -1.98 1.86 116.57 121.13 1ibk h LYS 123 Ca -0.48 -0.01 0.38 0.00 -1.27 0.00 0.00 60.65 59.27 1ibk h LYS 123 Cb 1.25 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 1ibk h LYS 123 CO 0.55 0.11 0.87 -0.22 -2.27 0.00 0.00 179.45 178.49 1ibk h LYS 124 N 0.17 0.14 -0.11 1.90 3.64 -2.04 -1.22 116.57 119.05 1ibk h LYS 124 Ca 0.62 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1ibk h LYS 124 Cb 1.33 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1ibk h LYS 124 CO -0.71 0.09 0.00 1.19 -2.27 0.00 0.00 179.45 177.75 1ibk n PHE 125 N -4.46 0.14 0.00 1.91 0.99 0.62 -5.02 117.46 111.65 1ibk n PHE 125 Ca 0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1ibk n PHE 125 Cb 1.30 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 39.75 1ibk n PHE 125 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ibk n ARG 126 N 0.18 3.12 -1.34 -1.08 1.74 -0.46 -4.46 116.66 114.36 1ibk n ARG 126 Ca 0.05 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.01 1ibk n ARG 126 Cb 0.26 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.65 1ibk n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ibk n LYS 127 N 0.00 -1.28 0.00 5.56 4.76 -1.26 -4.88 118.16 121.06 1ibk n LYS 127 Ca 0.00 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 1ibk n LYS 127 Cb 0.00 -4.94 0.00 0.00 -1.84 0.00 0.00 35.03 28.25 1ibk n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibk n ALA 128 N 0.40 0.00 -0.33 7.82 0.00 -1.26 -5.28 120.51 121.85 1ibk n ALA 128 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ibk n ALA 128 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1ibk n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37