#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk s SER 4 N 0.00 5.30 0.26 3.14 1.04 -1.26 -4.80 113.70 117.38 1ngk s SER 4 Ca 0.00 2.41 -0.03 0.00 0.48 0.00 0.00 55.95 58.81 1ngk s SER 4 Cb 0.00 -2.60 0.54 0.00 0.10 0.00 0.00 66.02 64.06 1ngk s SER 4 CO 0.00 -1.52 1.66 0.15 0.98 0.00 0.00 173.24 174.51 1ngk h PHE 5 N 1.05 0.22 -0.33 5.02 3.57 -1.93 0.61 116.94 125.15 1ngk h PHE 5 Ca -0.50 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.11 1ngk h PHE 5 Cb 1.29 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1ngk h PHE 5 CO 0.47 -0.17 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.34 1ngk h TYR 6 N 0.21 -0.28 -0.45 0.41 3.20 -1.49 -1.55 116.97 117.01 1ngk h TYR 6 Ca 0.46 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.23 1ngk h TYR 6 Cb 0.85 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1ngk h TYR 6 CO -0.30 -0.19 -0.25 -0.44 -1.64 0.00 0.00 178.16 175.33 1ngk h ASP 7 N -0.06 1.00 -0.50 -2.11 3.32 -1.63 0.96 116.42 117.40 1ngk h ASP 7 Ca 0.17 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.86 1ngk h ASP 7 Cb 0.31 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1ngk h ASP 7 CO -0.37 1.20 0.34 0.00 -1.72 0.00 0.00 179.24 178.68 1ngk h ALA 8 N 0.84 1.90 -0.30 3.45 0.00 -0.19 -1.84 119.26 123.12 1ngk h ALA 8 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ngk h ALA 8 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ngk h ALA 8 CO 0.07 0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.67 1ngk n VAL 9 N -4.47 0.38 0.00 0.00 0.24 -0.65 -4.91 118.33 108.92 1ngk n VAL 9 Ca 0.07 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ngk n VAL 9 Cb 0.24 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1ngk n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngk n GLY 10 N 1.35 0.80 7.00 7.63 0.00 -0.69 -4.64 105.19 116.63 1ngk n GLY 10 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ngk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 11 N -1.39 0.39 0.26 -0.02 0.00 0.33 -3.99 105.19 100.77 1ngk n GLY 11 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 46.02 45.17 1ngk n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngk h ALA 12 N -0.34 0.94 -0.49 4.61 0.00 -1.96 -2.15 119.26 119.86 1ngk h ALA 12 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1ngk h ALA 12 Cb 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1ngk h ALA 12 CO 0.00 -0.29 0.16 -0.22 0.00 0.00 0.00 179.25 178.91 1ngk h LYS 13 N 0.33 0.32 -0.17 0.00 3.64 -1.97 -0.01 116.57 118.71 1ngk h LYS 13 Ca 0.39 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1ngk h LYS 13 Cb 0.63 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1ngk h LYS 13 CO -0.45 0.21 0.05 1.15 -2.27 0.00 0.00 179.45 178.15 1ngk h THR 14 N 0.33 1.19 -0.61 1.00 2.02 -1.56 -0.74 112.91 114.54 1ngk h THR 14 Ca 0.24 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1ngk h THR 14 Cb 0.26 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1ngk h THR 14 CO -0.25 0.18 0.23 -0.26 0.37 0.00 0.00 175.52 175.78 1ngk h PHE 15 N 0.09 0.90 -0.43 3.16 -1.00 -1.30 -0.12 116.94 118.25 1ngk h PHE 15 Ca 0.05 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1ngk h PHE 15 Cb 0.23 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1ngk h PHE 15 CO 0.00 0.70 0.01 0.22 -1.61 0.00 0.00 178.31 177.63 1ngk h ASP 16 N 0.88 0.73 0.11 2.17 1.82 -0.84 -1.06 116.42 120.23 1ngk h ASP 16 Ca 0.20 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1ngk h ASP 16 Cb 0.19 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1ngk h ASP 16 CO -0.02 0.86 -0.11 0.00 -1.61 0.00 0.00 179.24 178.36 1ngk h ALA 17 N 0.90 -0.21 0.54 -0.78 0.00 -0.73 -0.00 119.26 118.98 1ngk h ALA 17 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 17 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ngk h ALA 17 CO 0.02 -0.63 -0.29 0.82 0.00 0.00 0.00 179.25 179.17 1ngk h ILE 18 N -0.24 0.41 -0.13 0.00 2.04 -0.94 -2.18 117.51 116.47 1ngk h ILE 18 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.71 1ngk h ILE 18 Cb 0.23 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1ngk h ILE 18 CO -0.03 0.00 -0.59 0.58 0.00 0.00 0.00 178.15 178.11 1ngk h VAL 19 N -0.77 1.35 -0.50 1.67 2.07 -1.19 0.10 116.25 118.98 1ngk h VAL 19 Ca -0.07 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 1ngk h VAL 19 Cb 0.61 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1ngk h VAL 19 CO 0.10 0.58 0.23 0.77 0.02 0.00 0.00 177.57 179.27 1ngk h SER 20 N 0.31 0.66 -0.22 0.57 4.64 -1.00 0.14 113.55 118.65 1ngk h SER 20 Ca -0.00 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1ngk h SER 20 Cb 1.12 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1ngk h SER 20 CO 0.10 0.61 -0.23 0.03 -0.87 0.00 0.00 176.83 176.48 1ngk h ARG 21 N 0.66 0.69 0.06 4.77 3.08 -1.08 -1.54 114.38 121.01 1ngk h ARG 21 Ca 0.17 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ngk h ARG 21 Cb 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1ngk h ARG 21 CO -0.02 0.86 -0.07 0.35 -1.07 0.00 0.00 179.97 180.02 1ngk h PHE 22 N 0.60 -0.17 0.00 3.04 3.04 -0.48 -2.45 116.94 120.52 1ngk h PHE 22 Ca 0.09 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 1ngk h PHE 22 Cb 0.71 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1ngk h PHE 22 CO 0.03 -0.11 -0.34 1.88 -2.02 0.00 0.00 178.31 177.76 1ngk h TYR 23 N -0.15 0.00 -0.67 0.41 0.05 -0.84 -1.72 116.97 114.06 1ngk h TYR 23 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 1ngk h TYR 23 Cb 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1ngk h TYR 23 CO -0.11 0.34 0.29 0.00 -1.05 0.00 0.00 178.16 177.63 1ngk h ALA 24 N 1.66 1.25 -0.20 3.88 0.00 -1.22 -2.52 119.26 122.11 1ngk h ALA 24 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ngk h ALA 24 Cb 0.98 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ngk h ALA 24 CO 0.04 0.56 0.02 1.96 0.00 0.00 0.00 179.25 181.84 1ngk h GLN 25 N 0.95 0.34 -0.63 0.00 1.08 -0.88 -3.25 115.11 112.71 1ngk h GLN 25 Ca 0.23 -0.09 0.12 0.00 -1.45 0.00 0.00 58.65 57.45 1ngk h GLN 25 Cb 0.15 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.45 1ngk h GLN 25 CO -0.02 0.50 0.15 0.28 -0.95 0.00 0.00 178.83 178.79 1ngk h VAL 26 N 0.12 0.63 -0.49 -0.54 2.07 -1.16 -0.34 116.25 116.55 1ngk h VAL 26 Ca 0.06 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.62 1ngk h VAL 26 Cb 0.33 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1ngk h VAL 26 CO 0.01 0.05 0.35 0.00 0.02 0.00 0.00 177.57 178.00 1ngk h ALA 27 N 1.50 2.45 -0.01 1.67 0.00 -1.49 -1.74 119.26 121.64 1ngk h ALA 27 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ngk h ALA 27 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ngk h ALA 27 CO -0.41 -0.60 -0.57 0.39 0.00 0.00 0.00 179.25 178.05 1ngk n GLU 28 N -4.37 1.43 -2.76 0.00 -0.58 -0.24 -4.85 120.64 109.28 1ngk n GLU 28 Ca 0.09 -0.49 -0.43 0.00 -0.42 0.00 0.00 57.16 55.91 1ngk n GLU 28 Cb 0.57 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 30.07 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ngk s ASP 29 N -2.33 6.72 0.19 1.62 2.15 -0.58 -4.95 116.67 119.49 1ngk s ASP 29 Ca 0.11 0.65 -0.12 0.00 0.43 0.00 0.00 52.55 53.63 1ngk s ASP 29 Cb 0.14 -2.48 0.11 0.00 -0.30 0.00 0.00 42.92 40.39 1ngk s ASP 29 CO 0.57 -0.89 1.84 -0.33 -0.17 0.00 0.00 175.17 176.18 1ngk h GLU 30 N 8.47 0.88 -0.28 4.34 4.39 -1.90 0.36 114.58 130.85 1ngk h GLU 30 Ca -0.23 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.43 1ngk h GLU 30 Cb 1.07 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1ngk h GLU 30 CO 1.00 0.62 0.11 0.28 -1.16 0.00 0.00 179.01 179.86 1ngk h VAL 31 N 0.89 0.95 -0.08 3.13 2.07 -1.94 -2.58 116.25 118.68 1ngk h VAL 31 Ca 0.24 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 67.46 1ngk h VAL 31 Cb -0.04 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ngk h VAL 31 CO -0.05 0.04 -0.83 -0.07 0.02 0.00 0.00 177.57 176.69 1ngk h LEU 32 N 0.24 0.71 -1.50 2.57 3.38 -1.75 -3.05 115.31 115.91 1ngk h LEU 32 Ca 0.12 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1ngk h LEU 32 Cb 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1ngk h LEU 32 CO -0.11 1.28 0.40 -0.09 0.09 0.00 0.00 178.44 180.01 1ngk h ARG 33 N 0.38 0.61 -0.02 1.13 2.43 -0.26 -0.53 114.38 118.11 1ngk h ARG 33 Ca -0.06 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1ngk h ARG 33 Cb 1.44 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1ngk h ARG 33 CO 0.16 0.40 -0.41 0.00 -1.51 0.00 0.00 179.97 178.61 1ngk h ARG 34 N 0.62 0.05 0.04 0.20 3.08 -1.35 -3.34 114.38 113.67 1ngk h ARG 34 Ca 0.25 -0.02 -0.36 0.00 0.07 0.00 0.00 59.98 59.92 1ngk h ARG 34 Cb 0.21 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1ngk h ARG 34 CO -0.07 0.45 -2.19 0.28 -1.07 0.00 0.00 179.97 177.36 1ngk n VAL 35 N -4.05 1.57 -2.15 2.04 0.31 -0.62 -4.87 118.33 110.57 1ngk n VAL 35 Ca -0.02 -0.69 -0.42 0.00 -0.01 0.00 0.00 64.34 63.20 1ngk n VAL 35 Cb 0.44 -1.24 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 1ngk n VAL 35 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ngk s TYR 36 N -2.54 3.21 -0.20 3.52 1.51 -0.30 -4.96 117.35 117.58 1ngk s TYR 36 Ca -0.21 1.03 -0.29 0.00 -1.01 0.00 0.00 57.07 56.59 1ngk s TYR 36 Cb 0.08 -3.69 -0.06 0.00 -0.11 0.00 0.00 41.96 38.17 1ngk s TYR 36 CO 0.74 -2.33 2.19 -2.30 -1.11 0.00 0.00 175.55 172.73 1ngk n PRO 37 N 3.29 1.96 0.17 -1.71 -0.02 -1.26 -4.84 135.00 132.59 1ngk n PRO 37 Ca 0.09 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 1ngk n PRO 37 Cb 0.42 -3.11 0.55 0.00 -0.02 0.00 0.00 33.50 31.34 1ngk n PRO 37 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ngk h GLU 38 N 14.16 0.00 -0.00 -0.52 4.11 -1.93 -2.19 114.58 128.21 1ngk h GLU 38 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1ngk h GLU 38 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ngk h GLU 38 CO 0.96 0.00 -0.41 -0.25 0.07 0.00 0.00 179.01 179.39 1ngk n ASP 39 N -2.24 0.56 -2.62 3.06 8.00 -1.26 -4.41 116.55 117.63 1ngk n ASP 39 Ca -0.01 -0.32 -0.14 0.00 0.71 0.00 0.00 54.79 55.02 1ngk n ASP 39 Cb 0.12 0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1ngk n ASP 39 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ngk n ASP 40 N -1.33 2.34 0.04 -2.24 2.03 -0.82 -4.88 116.55 111.69 1ngk n ASP 40 Ca 0.07 -3.00 -0.09 0.00 0.52 0.00 0.00 54.79 52.29 1ngk n ASP 40 Cb 0.34 -0.51 0.05 0.00 -0.72 0.00 0.00 41.12 40.28 1ngk n ASP 40 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ngk h LEU 41 N 2.88 0.51 -0.56 -2.67 3.38 -1.77 -1.02 115.31 116.07 1ngk h LEU 41 Ca 0.01 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1ngk h LEU 41 Cb 1.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1ngk h LEU 41 CO 0.60 1.02 0.25 0.00 0.09 0.00 0.00 178.44 180.40 1ngk h ALA 42 N 0.98 0.72 -0.19 1.53 0.00 -1.96 -2.19 119.26 118.16 1ngk h ALA 42 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ngk h ALA 42 Cb 1.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ngk h ALA 42 CO 0.11 0.30 0.04 0.78 0.00 0.00 0.00 179.25 180.48 1ngk h GLY 43 N 0.75 0.33 0.60 0.00 0.00 -1.91 -1.45 103.07 101.38 1ngk h GLY 43 Ca 0.19 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.39 1ngk h GLY 43 CO -0.02 0.19 0.39 0.00 0.00 0.00 0.00 176.54 177.10 1ngk h ALA 44 N 0.85 0.98 -0.32 3.60 0.00 -1.18 -1.46 119.26 121.72 1ngk h ALA 44 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 44 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ngk h ALA 44 CO 0.00 0.04 0.14 1.49 0.00 0.00 0.00 179.25 180.92 1ngk h GLU 45 N 0.69 0.48 -0.15 0.00 4.81 -1.26 -1.83 114.58 117.32 1ngk h GLU 45 Ca 0.33 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1ngk h GLU 45 Cb 0.27 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1ngk h GLU 45 CO -0.22 0.47 -0.01 1.49 -0.73 0.00 0.00 179.01 180.02 1ngk h GLU 46 N 0.38 0.04 -0.52 1.92 4.81 -0.83 -1.65 114.58 118.73 1ngk h GLU 46 Ca 0.11 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1ngk h GLU 46 Cb 0.17 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1ngk h GLU 46 CO -0.01 0.02 0.17 0.00 -0.73 0.00 0.00 179.01 178.47 1ngk h ARG 47 N 0.04 0.81 -0.10 1.92 3.08 -1.14 -1.11 114.38 117.88 1ngk h ARG 47 Ca 0.07 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ngk h ARG 47 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ngk h ARG 47 CO -0.13 0.74 0.06 1.25 -1.07 0.00 0.00 179.97 180.82 1ngk h LEU 48 N 0.72 0.12 -0.42 3.04 6.46 -1.29 -0.66 115.31 123.28 1ngk h LEU 48 Ca 0.17 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1ngk h LEU 48 Cb 0.26 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1ngk h LEU 48 CO -0.01 0.14 0.22 -0.09 -0.62 0.00 0.00 178.44 178.08 1ngk h ARG 49 N 0.08 0.43 -0.58 1.25 2.43 -1.09 -0.53 114.38 116.38 1ngk h ARG 49 Ca 0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ngk h ARG 49 Cb 0.05 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1ngk h ARG 49 CO -0.01 0.28 0.24 0.52 -1.51 0.00 0.00 179.97 179.50 1ngk h MET 50 N 0.44 0.85 -0.06 0.20 2.86 -1.06 -0.23 114.93 117.93 1ngk h MET 50 Ca 0.18 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1ngk h MET 50 Cb 0.07 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1ngk h MET 50 CO -0.11 0.72 -0.06 0.35 1.06 0.00 0.00 176.91 178.87 1ngk h PHE 51 N 0.79 -0.14 -0.40 -0.22 3.57 -0.79 -1.33 116.94 118.42 1ngk h PHE 51 Ca 0.19 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1ngk h PHE 51 Cb 0.18 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1ngk h PHE 51 CO 0.01 -0.09 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.84 1ngk h LEU 52 N -0.07 0.67 -0.54 0.59 3.38 -0.76 0.82 115.31 119.39 1ngk h LEU 52 Ca 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ngk h LEU 52 Cb 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ngk h LEU 52 CO -0.10 0.79 0.29 -0.33 0.09 0.00 0.00 178.44 179.18 1ngk h GLU 53 N 0.63 0.77 -0.29 1.13 5.08 -0.88 -2.56 114.58 118.46 1ngk h GLU 53 Ca 0.11 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1ngk h GLU 53 Cb 0.52 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ngk h GLU 53 CO 0.03 0.60 -0.42 0.37 -1.00 0.00 0.00 179.01 178.60 1ngk h GLN 54 N 0.73 0.80 -0.95 2.33 4.15 -0.82 0.18 115.11 121.53 1ngk h GLN 54 Ca 0.19 -0.47 0.14 0.00 0.77 0.00 0.00 58.65 59.29 1ngk h GLN 54 Cb 0.07 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.71 1ngk h GLN 54 CO -0.03 1.10 0.57 -0.92 -1.93 0.00 0.00 178.83 177.62 1ngk h TYR 55 N 0.56 1.01 -0.50 3.99 5.03 -0.76 -2.16 116.97 124.14 1ngk h TYR 55 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1ngk h TYR 55 Cb 1.01 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1ngk h TYR 55 CO 0.07 0.32 0.00 0.91 -1.32 0.00 0.00 178.16 178.14 1ngk n TRP 56 N -4.73 1.12 -0.02 -3.82 7.02 -0.97 -4.90 117.44 111.14 1ngk n TRP 56 Ca 0.19 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.22 1ngk n TRP 56 Cb 0.43 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 1ngk n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ngk n GLY 57 N 0.96 0.99 0.00 6.99 0.00 -0.81 -1.24 105.19 112.08 1ngk n GLY 57 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ngk n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 58 N -2.02 1.19 3.68 -0.02 0.00 0.63 -4.83 105.19 103.82 1ngk n GLY 58 Ca 0.00 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1ngk n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ngk n PRO 59 N 0.00 0.67 -0.46 1.61 -0.02 -1.26 -4.62 135.00 130.92 1ngk n PRO 59 Ca 0.00 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 1ngk n PRO 59 Cb 0.00 -2.40 0.23 0.00 -0.02 0.00 0.00 33.50 31.31 1ngk n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ngk n ARG 60 N -2.24 3.02 -0.30 -0.52 1.74 -1.26 -3.70 116.66 113.40 1ngk n ARG 60 Ca 0.14 -1.84 0.20 0.00 -0.77 0.00 0.00 57.85 55.58 1ngk n ARG 60 Cb 0.49 -1.80 0.47 0.00 -1.02 0.00 0.00 32.46 30.60 1ngk n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ngk h THR 61 N 2.48 0.61 0.72 0.55 2.02 -1.91 -1.28 112.91 116.10 1ngk h THR 61 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1ngk h THR 61 Cb 1.19 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1ngk h THR 61 CO 0.22 0.09 -0.43 0.22 0.37 0.00 0.00 175.52 175.99 1ngk h TYR 62 N 0.47 -1.14 0.00 3.16 3.20 -1.78 -1.17 116.97 119.72 1ngk h TYR 62 Ca 0.55 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.38 1ngk h TYR 62 Cb 1.28 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 1ngk h TYR 62 CO -0.00 -0.64 -0.13 0.66 -1.64 0.00 0.00 178.16 176.40 1ngk h SER 63 N -1.07 0.00 -0.53 -2.11 4.64 -1.66 0.48 113.55 113.30 1ngk h SER 63 Ca -0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1ngk h SER 63 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1ngk h SER 63 CO 0.10 0.13 0.25 -0.33 -0.87 0.00 0.00 176.83 176.11 1ngk h GLU 64 N 0.00 0.77 0.00 4.77 5.08 -0.92 -0.85 114.58 123.43 1ngk h GLU 64 Ca -0.00 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.04 1ngk h GLU 64 Cb 0.29 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1ngk h GLU 64 CO 0.02 0.64 -1.73 1.04 -1.00 0.00 0.00 179.01 177.98 1ngk n GLN 65 N -4.57 0.64 -0.00 2.33 6.02 -0.47 -4.58 117.38 116.75 1ngk n GLN 65 Ca 0.02 0.13 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 1ngk n GLN 65 Cb 0.13 -1.71 -0.06 0.00 1.02 0.00 0.00 30.24 29.62 1ngk n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ngk n ARG 66 N -2.79 2.24 0.00 -1.09 5.12 0.16 -5.10 116.66 115.20 1ngk n ARG 66 Ca -0.15 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1ngk n ARG 66 Cb 0.89 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 1ngk n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ngk n GLY 67 N 1.58 -1.85 3.76 -0.13 0.00 -0.32 -4.90 105.19 103.31 1ngk n GLY 67 Ca 0.00 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1ngk n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ngk s HIS 68 N 0.00 3.10 0.29 1.61 5.65 -1.26 -4.13 115.29 120.55 1ngk s HIS 68 Ca 0.00 1.28 -0.29 0.00 0.25 0.00 0.00 55.06 56.29 1ngk s HIS 68 Cb 0.00 -3.69 -0.10 0.00 -1.18 0.00 0.00 32.58 27.60 1ngk s HIS 68 CO 0.00 -2.05 1.42 -2.14 -0.65 0.00 0.00 174.74 171.32 1ngk s PRO 69 N -1.06 4.26 -0.38 2.88 0.02 -1.26 -4.94 135.00 134.52 1ngk s PRO 69 Ca 0.53 2.34 0.11 0.00 0.02 0.00 0.00 61.00 63.99 1ngk s PRO 69 Cb -0.39 -3.07 0.33 0.00 0.02 0.00 0.00 34.50 31.38 1ngk s PRO 69 CO 0.47 -0.39 0.73 0.54 -0.33 0.00 0.00 177.00 178.02 1ngk n ARG 70 N 1.64 0.92 -0.20 5.54 1.74 -1.26 -5.02 116.66 120.03 1ngk n ARG 70 Ca 0.04 -3.18 -0.06 0.00 -0.77 0.00 0.00 57.85 53.89 1ngk n ARG 70 Cb 0.40 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1ngk n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngk h LEU 71 N 3.21 0.63 -0.61 0.55 3.38 -1.98 -0.72 115.31 119.77 1ngk h LEU 71 Ca 0.07 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1ngk h LEU 71 Cb 0.97 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1ngk h LEU 71 CO 0.45 0.45 0.35 -0.09 0.09 0.00 0.00 178.44 179.70 1ngk h ARG 72 N 0.75 0.66 -0.29 1.13 2.43 -1.96 -0.31 114.38 116.79 1ngk h ARG 72 Ca 0.22 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 1ngk h ARG 72 Cb -0.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1ngk h ARG 72 CO -0.06 0.44 -0.35 0.52 -1.51 0.00 0.00 179.97 179.00 1ngk h MET 73 N 0.68 0.65 0.00 0.20 2.86 -1.84 -1.58 114.93 115.90 1ngk h MET 73 Ca 0.26 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1ngk h MET 73 Cb 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1ngk h MET 73 CO -0.14 0.91 -0.32 0.00 1.06 0.00 0.00 176.91 178.42 1ngk h ARG 74 N 0.55 0.00 0.00 1.72 2.47 -0.70 -2.71 114.38 115.70 1ngk h ARG 74 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1ngk h ARG 74 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1ngk h ARG 74 CO 0.07 0.32 -0.56 0.72 0.56 0.00 0.00 179.97 181.08 1ngk n HIS 75 N -3.56 0.31 -0.14 3.04 8.25 -0.17 -4.43 115.22 118.52 1ngk n HIS 75 Ca -0.00 0.09 0.09 0.00 -0.26 0.00 0.00 57.72 57.64 1ngk n HIS 75 Cb 0.46 -0.49 0.42 0.00 1.12 0.00 0.00 29.99 31.50 1ngk n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngk h ALA 76 N 2.72 1.85 0.00 -1.41 0.00 -0.95 -1.19 119.26 120.28 1ngk h ALA 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ngk h ALA 76 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ngk h ALA 76 CO 0.00 0.03 0.00 -1.35 0.00 0.00 0.00 179.25 177.93 1ngk h PRO 77 N 0.59 0.00 -6.34 0.00 0.11 -1.77 -3.44 132.00 121.15 1ngk h PRO 77 Ca 0.30 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.72 1ngk h PRO 77 Cb 0.40 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.30 1ngk h PRO 77 CO -0.10 0.00 -0.75 -0.06 -0.21 0.00 0.00 178.00 176.89 1ngk s PHE 78 N -3.67 2.76 -0.73 0.65 0.40 -0.45 -5.07 117.98 111.87 1ngk s PHE 78 Ca -0.02 -0.12 -0.24 0.00 -0.60 0.00 0.00 56.93 55.96 1ngk s PHE 78 Cb 0.08 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 42.08 1ngk s PHE 78 CO 0.30 0.28 1.10 1.03 0.70 0.00 0.00 175.22 178.63 1ngk s ARG 79 N -1.09 3.21 -0.57 0.44 0.52 -1.26 -4.88 118.95 115.32 1ngk s ARG 79 Ca 0.14 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 1ngk s ARG 79 Cb -0.11 -4.36 0.15 0.00 0.52 0.00 0.00 34.95 31.15 1ngk s ARG 79 CO 0.04 -1.94 0.45 0.42 0.02 0.00 0.00 175.30 174.29 1ngk s ILE 80 N 4.48 4.43 0.55 1.52 1.01 -1.26 -4.90 121.20 127.03 1ngk s ILE 80 Ca 0.28 -2.12 0.01 0.00 0.00 0.00 0.00 60.65 58.83 1ngk s ILE 80 Cb -0.12 -3.87 0.11 0.00 0.01 0.00 0.00 42.46 38.59 1ngk s ILE 80 CO 0.08 -0.85 0.75 -1.54 0.00 0.00 0.00 174.94 173.39 1ngk n SER 81 N 4.49 1.14 -0.31 3.58 3.41 -1.26 -0.54 113.62 124.14 1ngk n SER 81 Ca -0.01 -1.93 0.21 0.00 -0.26 0.00 0.00 58.87 56.88 1ngk n SER 81 Cb 0.41 -0.48 0.50 0.00 -0.26 0.00 0.00 64.21 64.38 1ngk n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ngk h LEU 82 N 0.00 0.46 -0.14 1.04 3.38 -1.91 -0.46 115.31 117.69 1ngk h LEU 82 Ca -0.25 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1ngk h LEU 82 Cb 0.95 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ngk h LEU 82 CO 0.28 0.12 -0.02 0.40 0.09 0.00 0.00 178.44 179.30 1ngk h ILE 83 N 0.42 1.28 -0.48 1.22 2.04 -1.96 0.15 117.51 120.19 1ngk h ILE 83 Ca 0.57 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1ngk h ILE 83 Cb 1.40 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1ngk h ILE 83 CO -0.28 0.27 -0.14 -0.33 0.00 0.00 0.00 178.15 177.68 1ngk h GLU 84 N -0.04 0.90 -0.30 2.37 3.07 -1.74 -1.45 114.58 117.39 1ngk h GLU 84 Ca 0.04 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.59 1ngk h GLU 84 Cb 0.44 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 1ngk h GLU 84 CO 0.01 0.98 0.12 -0.09 -1.40 0.00 0.00 179.01 178.63 1ngk h ARG 85 N 0.80 0.25 -0.36 2.33 2.43 -0.97 -1.47 114.38 117.39 1ngk h ARG 85 Ca 0.12 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1ngk h ARG 85 Cb 0.67 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1ngk h ARG 85 CO 0.05 0.17 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.03 1ngk h ASP 86 N 0.26 0.70 -0.50 -3.80 3.32 -0.69 -1.72 116.42 113.99 1ngk h ASP 86 Ca 0.13 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 1ngk h ASP 86 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1ngk h ASP 86 CO -0.12 0.89 0.04 0.00 -1.72 0.00 0.00 179.24 178.33 1ngk h ALA 87 N 1.16 0.66 -0.07 3.45 0.00 -1.12 -0.88 119.26 122.46 1ngk h ALA 87 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ngk h ALA 87 Cb 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ngk h ALA 87 CO 0.05 0.44 0.04 2.35 0.00 0.00 0.00 179.25 182.13 1ngk h TRP 88 N 0.72 0.09 -0.78 0.00 7.01 -1.09 -1.65 115.95 120.26 1ngk h TRP 88 Ca 0.15 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.16 1ngk h TRP 88 Cb 0.46 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1ngk h TRP 88 CO 0.03 0.13 0.51 -0.07 -2.79 0.00 0.00 178.44 176.25 1ngk h LEU 89 N 0.03 0.87 -0.57 0.65 4.07 -1.27 -1.01 115.31 118.08 1ngk h LEU 89 Ca 0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1ngk h LEU 89 Cb 0.07 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 1ngk h LEU 89 CO -0.00 0.62 0.19 -0.09 -1.08 0.00 0.00 178.44 178.08 1ngk h ARG 90 N 1.03 0.87 -0.79 1.13 1.12 -0.97 0.10 114.38 116.88 1ngk h ARG 90 Ca 0.29 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 58.96 1ngk h ARG 90 Cb -0.08 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 29.71 1ngk h ARG 90 CO -0.08 0.78 0.42 0.00 -3.11 0.00 0.00 179.97 177.99 1ngk h MET 92 N 1.09 0.27 -0.61 0.00 1.85 -0.98 -0.70 114.93 115.85 1ngk h MET 92 Ca 0.28 -0.11 0.10 0.00 -0.61 0.00 0.00 59.70 59.36 1ngk h MET 92 Cb 0.04 -0.01 -0.08 0.00 0.43 0.00 0.00 31.60 31.98 1ngk h MET 92 CO -0.04 0.58 0.18 0.45 -0.40 0.00 0.00 176.91 177.68 1ngk h HIS 93 N -0.05 0.31 -0.66 1.39 -0.00 -0.64 0.14 115.15 115.64 1ngk h HIS 93 Ca 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1ngk h HIS 93 Cb 0.48 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 1ngk h HIS 93 CO 0.06 0.04 0.28 1.15 -0.00 0.00 0.00 177.93 179.45 1ngk h THR 94 N 0.34 1.24 -0.29 2.45 2.02 -1.06 -0.58 112.91 117.02 1ngk h THR 94 Ca 0.31 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1ngk h THR 94 Cb 0.43 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1ngk h THR 94 CO -0.35 0.29 0.05 0.00 0.37 0.00 0.00 175.52 175.88 1ngk h ALA 95 N 1.12 0.39 -0.77 6.16 0.00 -0.43 -2.96 119.26 122.77 1ngk h ALA 95 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ngk h ALA 95 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ngk h ALA 95 CO -0.02 0.08 0.37 0.28 0.00 0.00 0.00 179.25 179.96 1ngk h VAL 96 N 0.31 1.24 0.00 0.00 2.07 -0.60 -2.26 116.25 117.01 1ngk h VAL 96 Ca 0.09 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1ngk h VAL 96 Cb 0.33 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ngk h VAL 96 CO 0.00 0.29 -0.01 0.00 0.02 0.00 0.00 177.57 177.88 1ngk h ALA 97 N 1.31 1.06 0.00 1.67 0.00 -0.94 -1.21 119.26 121.15 1ngk h ALA 97 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ngk h ALA 97 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ngk h ALA 97 CO -0.03 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 1ngk n SER 98 N -3.17 0.24 -4.73 0.00 3.41 -0.85 -4.75 113.62 103.77 1ngk n SER 98 Ca -0.02 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.76 1ngk n SER 98 Cb 0.12 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 1ngk n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ngk s ILE 99 N -3.08 5.22 0.83 -1.33 -1.09 -0.46 -5.07 121.20 116.23 1ngk s ILE 99 Ca 0.08 0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 59.19 1ngk s ILE 99 Cb 0.12 -3.74 0.09 0.00 -1.58 0.00 0.00 42.46 37.35 1ngk s ILE 99 CO 0.39 0.36 1.09 1.51 -1.23 0.00 0.00 174.94 177.06 1ngk s ASP 100 N 0.49 4.02 0.31 3.58 3.84 -1.26 -4.82 116.67 122.83 1ngk s ASP 100 Ca 0.22 1.59 0.12 0.00 -0.00 0.00 0.00 52.55 54.49 1ngk s ASP 100 Cb -0.14 -2.29 0.50 0.00 -1.38 0.00 0.00 42.92 39.61 1ngk s ASP 100 CO 0.08 -2.31 1.68 0.77 -0.00 0.00 0.00 175.17 175.40 1ngk h SER 101 N -1.32 0.00 -0.56 2.11 4.64 -1.97 -1.41 113.55 115.04 1ngk h SER 101 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ngk h SER 101 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 1ngk h SER 101 CO 0.54 0.52 0.34 -0.33 -0.87 0.00 0.00 176.83 177.03 1ngk h GLU 102 N 0.00 0.76 0.05 4.77 4.39 -1.98 -2.75 114.58 119.83 1ngk h GLU 102 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ngk h GLU 102 Cb 0.96 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1ngk h GLU 102 CO 0.07 0.55 -0.03 1.15 -1.16 0.00 0.00 179.01 179.59 1ngk h THR 103 N 0.76 1.29 -3.50 1.13 2.02 -1.87 -3.41 112.91 109.32 1ngk h THR 103 Ca 0.20 -1.50 -0.68 0.00 0.77 0.00 0.00 66.41 65.21 1ngk h THR 103 Cb -0.01 2.22 -0.37 0.00 -1.74 0.00 0.00 68.15 68.25 1ngk h THR 103 CO -0.04 0.36 -0.49 -0.22 0.37 0.00 0.00 175.52 175.50 1ngk s LEU 104 N -8.82 4.94 1.04 2.58 0.20 -0.55 -4.47 118.68 113.59 1ngk s LEU 104 Ca -0.15 -2.75 -0.14 0.00 0.69 0.00 0.00 54.13 51.78 1ngk s LEU 104 Cb -0.00 -1.77 0.21 0.00 -0.43 0.00 0.00 46.19 44.19 1ngk s LEU 104 CO 0.59 -0.35 1.11 1.51 -0.29 0.00 0.00 176.35 178.92 1ngk s ASP 105 N 0.56 2.33 0.26 3.68 1.47 -1.04 -4.18 116.67 119.75 1ngk s ASP 105 Ca 0.15 0.98 -0.03 0.00 1.18 0.00 0.00 52.55 54.83 1ngk s ASP 105 Cb -0.22 -1.51 0.41 0.00 -0.34 0.00 0.00 42.92 41.25 1ngk s ASP 105 CO -0.03 -3.29 1.87 0.44 0.68 0.00 0.00 175.17 174.84 1ngk h ASP 106 N -2.00 0.97 -0.16 2.11 3.45 -1.98 -0.37 116.42 118.44 1ngk h ASP 106 Ca -0.52 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 56.87 1ngk h ASP 106 Cb 1.32 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1ngk h ASP 106 CO 0.53 0.61 -0.24 -0.33 -1.57 0.00 0.00 179.24 178.24 1ngk h GLU 107 N 1.10 0.44 -0.23 3.56 3.07 -1.99 -2.16 114.58 118.37 1ngk h GLU 107 Ca 0.43 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 1ngk h GLU 107 Cb 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1ngk h GLU 107 CO -0.19 0.85 -0.34 0.45 -1.40 0.00 0.00 179.01 178.39 1ngk h HIS 108 N 0.08 0.58 -0.13 4.33 3.86 -1.87 -0.72 115.15 121.28 1ngk h HIS 108 Ca 0.02 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1ngk h HIS 108 Cb 0.81 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1ngk h HIS 108 CO 0.09 0.78 0.08 -0.09 0.86 0.00 0.00 177.93 179.65 1ngk h ARG 109 N 0.43 0.17 -0.56 2.45 2.43 -1.04 -0.32 114.38 117.94 1ngk h ARG 109 Ca 0.05 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1ngk h ARG 109 Cb 0.80 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1ngk h ARG 109 CO 0.06 0.13 0.14 -0.09 -1.51 0.00 0.00 179.97 178.71 1ngk h ARG 110 N 0.15 0.90 -0.40 0.20 9.65 -1.24 -1.01 114.38 122.63 1ngk h ARG 110 Ca 0.05 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1ngk h ARG 110 Cb 0.00 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1ngk h ARG 110 CO -0.01 0.84 0.23 1.49 2.80 0.00 0.00 179.97 185.31 1ngk h GLU 111 N 0.80 0.54 -0.06 0.20 4.81 -0.94 0.54 114.58 120.47 1ngk h GLU 111 Ca 0.18 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1ngk h GLU 111 Cb 0.34 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ngk h GLU 111 CO 0.00 0.43 0.03 1.25 -0.73 0.00 0.00 179.01 179.98 1ngk h LEU 112 N 0.51 0.08 -0.32 1.64 5.85 -0.85 -2.10 115.31 120.13 1ngk h LEU 112 Ca 0.14 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ngk h LEU 112 Cb 0.03 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ngk h LEU 112 CO -0.02 0.20 0.16 -0.07 -0.34 0.00 0.00 178.44 178.36 1ngk h LEU 113 N -0.04 0.41 -0.86 2.25 3.38 -1.12 -1.20 115.31 118.14 1ngk h LEU 113 Ca 0.02 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1ngk h LEU 113 Cb 0.14 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1ngk h LEU 113 CO -0.00 0.41 0.50 0.44 0.09 0.00 0.00 178.44 179.87 1ngk h ASP 114 N 0.38 0.71 -0.14 -0.43 3.32 -0.87 -0.90 116.42 118.48 1ngk h ASP 114 Ca 0.11 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ngk h ASP 114 Cb 0.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1ngk h ASP 114 CO -0.02 0.39 0.03 0.22 -1.72 0.00 0.00 179.24 178.14 1ngk h TYR 115 N 0.81 0.25 -0.74 4.55 5.03 -0.99 -2.24 116.97 123.64 1ngk h TYR 115 Ca 0.42 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.64 1ngk h TYR 115 Cb 0.40 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 1ngk h TYR 115 CO -0.05 0.40 0.27 -0.07 -1.32 0.00 0.00 178.16 177.39 1ngk h LEU 116 N 0.02 1.05 0.21 2.82 3.38 -0.75 -0.40 115.31 121.64 1ngk h LEU 116 Ca 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ngk h LEU 116 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ngk h LEU 116 CO 0.00 0.96 -0.20 -0.08 0.09 0.00 0.00 178.44 179.21 1ngk h GLU 117 N 1.08 -0.42 -0.22 1.13 4.81 -1.16 0.82 114.58 120.62 1ngk h GLU 117 Ca 0.24 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1ngk h GLU 117 Cb 0.26 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1ngk h GLU 117 CO -0.01 -0.28 -0.02 1.98 -0.73 0.00 0.00 179.01 179.95 1ngk h MET 118 N -0.44 0.04 -0.29 1.92 4.05 -1.08 -1.72 114.93 117.42 1ngk h MET 118 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ngk h MET 118 Cb 0.40 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1ngk h MET 118 CO -0.04 0.03 0.19 0.00 0.23 0.00 0.00 176.91 177.31 1ngk h ALA 119 N 1.20 0.37 -0.51 0.39 0.00 -0.93 -1.81 119.26 117.97 1ngk h ALA 119 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ngk h ALA 119 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ngk h ALA 119 CO -0.20 -0.16 0.25 0.00 0.00 0.00 0.00 179.25 179.15 1ngk h ALA 120 N 1.10 0.66 -0.72 0.00 0.00 -0.59 -2.32 119.26 117.39 1ngk h ALA 120 Ca 0.11 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ngk h ALA 120 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1ngk h ALA 120 CO -0.02 0.21 0.43 0.45 0.00 0.00 0.00 179.25 180.32 1ngk h HIS 121 N 0.68 0.79 0.00 0.00 3.86 -1.19 -2.63 115.15 116.66 1ngk h HIS 121 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1ngk h HIS 121 Cb 0.10 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1ngk h HIS 121 CO -0.01 0.40 0.00 0.77 0.86 0.00 0.00 177.93 179.95 1ngk h SER 122 N 0.79 0.00 -0.00 2.45 0.02 -0.79 -2.90 113.55 113.12 1ngk h SER 122 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1ngk h SER 122 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ngk h SER 122 CO -0.16 0.00 -0.33 0.18 -1.14 0.00 0.00 176.83 175.37 1ngk n LEU 123 N -2.31 2.19 -4.70 5.07 4.77 -0.99 -4.94 117.00 116.09 1ngk n LEU 123 Ca 0.01 -0.78 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 1ngk n LEU 123 Cb 0.17 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1ngk n LEU 123 CO 0.17 0.39 1.38 0.52 -1.33 0.00 0.00 177.39 178.52 1ngk n VAL 124 N 0.28 0.16 -1.33 4.08 0.31 -1.10 -4.85 118.33 115.88 1ngk n VAL 124 Ca 0.11 -0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1ngk n VAL 124 Cb 0.49 -1.94 0.01 0.00 -0.91 0.00 0.00 33.84 31.49 1ngk n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ngk n ASN 125 N 4.58 0.27 -3.71 4.52 2.04 0.30 -5.03 115.26 118.22 1ngk n ASN 125 Ca 0.17 -1.58 -0.14 0.00 -0.44 0.00 0.00 54.58 52.60 1ngk n ASN 125 Cb 0.34 -0.10 -0.09 0.00 -2.53 0.00 0.00 39.78 37.40 1ngk n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1ngk s SER 126 N -0.62 -0.38 0.08 0.53 0.15 -1.00 -4.76 113.70 107.70 1ngk s SER 126 Ca 0.02 0.54 0.28 0.00 0.70 0.00 0.00 55.95 57.49 1ngk s SER 126 Cb 0.02 0.62 1.07 0.00 -1.71 0.00 0.00 66.02 66.01 1ngk s SER 126 CO 0.00 -0.33 1.87 -0.81 1.20 0.00 0.00 173.24 175.17 1ngk n PRO 127 N 1.97 0.10 0.00 5.44 -0.04 -1.26 -3.98 135.00 137.23 1ngk n PRO 127 Ca -0.17 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ngk n PRO 127 Cb 0.57 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1ngk n PRO 127 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43