#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk n LYS 3 N 0.00 0.00 -1.80 0.54 4.81 -1.26 -4.94 118.16 115.51 1ngk n LYS 3 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1ngk n LYS 3 Cb 0.00 -0.57 0.04 0.00 0.02 0.00 0.00 35.03 34.52 1ngk n LYS 3 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1ngk s SER 4 N -0.57 5.36 0.21 3.14 1.04 -1.26 -4.89 113.70 116.72 1ngk s SER 4 Ca 0.34 1.86 -0.10 0.00 0.48 0.00 0.00 55.95 58.52 1ngk s SER 4 Cb -0.37 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.49 1ngk s SER 4 CO 0.35 -1.46 1.72 0.15 0.98 0.00 0.00 173.24 174.98 1ngk h PHE 5 N -0.02 0.26 -0.27 5.02 3.57 -1.92 -0.63 116.94 122.95 1ngk h PHE 5 Ca -0.46 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.14 1ngk h PHE 5 Cb 1.23 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 1ngk h PHE 5 CO 0.57 0.01 -0.23 -0.92 -2.23 0.00 0.00 178.31 175.52 1ngk h TYR 6 N 0.30 -0.59 -0.35 0.41 3.20 -1.31 -1.85 116.97 116.78 1ngk h TYR 6 Ca 0.30 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 1ngk h TYR 6 Cb 0.42 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1ngk h TYR 6 CO -0.22 -0.30 -0.42 -0.44 -1.64 0.00 0.00 178.16 175.14 1ngk h ASP 7 N -0.22 0.96 -0.87 -2.11 3.32 -1.82 0.29 116.42 115.98 1ngk h ASP 7 Ca 0.15 -0.45 0.14 0.00 0.02 0.00 0.00 57.03 56.89 1ngk h ASP 7 Cb 0.44 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 1ngk h ASP 7 CO -0.40 1.24 0.56 0.00 -1.72 0.00 0.00 179.24 178.92 1ngk h ALA 8 N 0.80 1.86 -0.28 3.45 0.00 -0.58 -0.82 119.26 123.69 1ngk h ALA 8 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ngk h ALA 8 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ngk h ALA 8 CO 0.10 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.59 1ngk n VAL 9 N -4.55 0.36 -0.01 0.00 0.24 -0.74 -4.92 118.33 108.71 1ngk n VAL 9 Ca 0.17 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1ngk n VAL 9 Cb 0.47 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.31 1.00 7.00 7.63 0.00 -0.31 -4.67 105.19 117.15 1ngk n GLY 10 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.01 2.09 0.30 -0.02 0.00 0.10 -3.33 105.19 102.33 1ngk n GLY 11 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.47 1.21 -0.73 4.61 0.00 -1.96 -1.09 119.26 120.83 1ngk h ALA 12 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 12 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1ngk h ALA 12 CO 0.00 0.01 0.48 -0.22 0.00 0.00 0.00 179.25 179.52 1ngk h LYS 13 N 0.71 0.94 0.02 0.00 1.63 -1.97 0.18 116.57 118.08 1ngk h LYS 13 Ca 0.42 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1ngk h LYS 13 Cb 0.48 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1ngk h LYS 13 CO -0.29 0.62 -0.01 1.15 -3.45 0.00 0.00 179.45 177.47 1ngk h THR 14 N 0.97 1.28 -0.40 1.00 2.02 -1.22 -1.91 112.91 114.64 1ngk h THR 14 Ca 0.27 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 1ngk h THR 14 Cb -0.09 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1ngk h THR 14 CO -0.07 0.23 0.02 -0.26 0.37 0.00 0.00 175.52 175.81 1ngk h PHE 15 N -0.42 0.65 -0.30 3.16 0.04 -1.18 -0.56 116.94 118.34 1ngk h PHE 15 Ca -0.00 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1ngk h PHE 15 Cb 0.40 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1ngk h PHE 15 CO 0.06 0.62 0.18 0.22 -0.60 0.00 0.00 178.31 178.79 1ngk h ASP 16 N 0.60 0.37 -0.27 2.17 -0.00 -0.63 -1.82 116.42 116.83 1ngk h ASP 16 Ca 0.13 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.09 1ngk h ASP 16 Cb 0.35 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1ngk h ASP 16 CO 0.01 0.32 0.14 0.00 -0.00 0.00 0.00 179.24 179.71 1ngk h ALA 17 N 1.07 0.35 -0.14 -0.78 0.00 -0.69 0.00 119.26 119.06 1ngk h ALA 17 Ca 0.11 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ngk h ALA 17 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ngk h ALA 17 CO -0.02 -0.11 0.06 0.82 0.00 0.00 0.00 179.25 180.00 1ngk h ILE 18 N 0.32 0.99 -0.01 0.00 2.04 -1.06 -1.85 117.51 117.93 1ngk h ILE 18 Ca 0.09 -0.05 -0.21 0.00 1.00 0.00 0.00 64.86 65.69 1ngk h ILE 18 Cb 0.08 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1ngk h ILE 18 CO -0.01 0.03 -0.89 0.58 0.00 0.00 0.00 178.15 177.85 1ngk h VAL 19 N 0.14 1.41 -0.26 1.67 2.07 -1.19 0.11 116.25 120.20 1ngk h VAL 19 Ca 0.06 -2.41 -0.15 0.00 0.82 0.00 0.00 66.70 65.02 1ngk h VAL 19 Cb 0.02 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1ngk h VAL 19 CO -0.04 0.72 -0.44 0.77 0.02 0.00 0.00 177.57 178.60 1ngk h SER 20 N 0.23 0.70 -0.33 0.57 4.64 -1.03 -0.89 113.55 117.45 1ngk h SER 20 Ca -0.07 -0.33 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 1ngk h SER 20 Cb 1.52 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1ngk h SER 20 CO 0.15 1.04 -0.44 0.03 -0.87 0.00 0.00 176.83 176.75 1ngk h ARG 21 N 0.53 0.87 -0.27 4.77 3.08 -1.21 -1.97 114.38 120.19 1ngk h ARG 21 Ca 0.04 -0.50 0.06 0.00 0.07 0.00 0.00 59.98 59.64 1ngk h ARG 21 Cb 0.97 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 1ngk h ARG 21 CO 0.09 1.15 -0.09 0.35 -1.07 0.00 0.00 179.97 180.40 1ngk h PHE 22 N 0.67 -0.20 0.00 3.04 3.57 -0.72 -1.82 116.94 121.47 1ngk h PHE 22 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1ngk h PHE 22 Cb 1.04 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1ngk h PHE 22 CO 0.07 -0.15 -0.30 1.88 -2.23 0.00 0.00 178.31 177.58 1ngk h TYR 23 N -0.03 0.00 -0.30 0.41 0.05 -1.03 -0.94 116.97 115.13 1ngk h TYR 23 Ca 0.14 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.78 1ngk h TYR 23 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1ngk h TYR 23 CO -0.29 0.30 -0.37 0.00 -1.05 0.00 0.00 178.16 176.75 1ngk h ALA 24 N 1.70 0.78 -0.62 3.88 0.00 -1.06 -2.71 119.26 121.23 1ngk h ALA 24 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ngk h ALA 24 Cb 0.58 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ngk h ALA 24 CO 0.04 0.65 0.31 1.96 0.00 0.00 0.00 179.25 182.21 1ngk h GLN 25 N 0.58 0.88 -0.62 0.00 1.08 -0.52 -2.96 115.11 113.56 1ngk h GLN 25 Ca 0.05 -0.12 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 1ngk h GLN 25 Cb 0.90 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.10 1ngk h GLN 25 CO 0.08 0.70 0.27 0.28 -0.95 0.00 0.00 178.83 179.21 1ngk h VAL 26 N 0.85 0.83 0.00 -0.54 2.07 -1.07 -1.13 116.25 117.25 1ngk h VAL 26 Ca 0.21 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1ngk h VAL 26 Cb 0.10 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ngk h VAL 26 CO -0.03 0.09 -0.06 0.00 0.02 0.00 0.00 177.57 177.59 1ngk h ALA 27 N 1.39 1.46 -0.69 1.67 0.00 -1.32 -1.05 119.26 120.72 1ngk h ALA 27 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ngk h ALA 27 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ngk h ALA 27 CO -0.26 0.07 0.00 -1.91 0.00 0.00 0.00 179.25 177.15 1ngk n GLU 28 N -3.83 2.97 -3.62 0.00 4.07 -0.48 -4.84 120.64 114.92 1ngk n GLU 28 Ca -0.03 -2.69 -0.39 0.00 -0.06 0.00 0.00 57.16 54.00 1ngk n GLU 28 Cb 0.15 -1.63 -0.11 0.00 -0.06 0.00 0.00 31.44 29.79 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1ngk s ASP 29 N -0.99 5.70 0.55 4.31 -1.08 -0.40 -4.97 116.67 119.79 1ngk s ASP 29 Ca 0.48 -0.50 0.23 0.00 -0.52 0.00 0.00 52.55 52.24 1ngk s ASP 29 Cb 0.27 -2.04 1.54 0.00 -1.46 0.00 0.00 42.92 41.23 1ngk s ASP 29 CO 0.30 -0.21 2.19 -0.33 0.52 0.00 0.00 175.17 177.65 1ngk h GLU 30 N 8.39 0.00 0.09 4.34 3.07 -1.90 0.60 114.58 129.17 1ngk h GLU 30 Ca -0.32 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1ngk h GLU 30 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1ngk h GLU 30 CO 0.62 0.02 -0.04 0.28 -1.40 0.00 0.00 179.01 178.48 1ngk h VAL 31 N 0.00 0.67 0.00 3.13 2.07 -1.93 -3.41 116.25 116.78 1ngk h VAL 31 Ca -0.00 -1.31 -0.19 0.00 0.82 0.00 0.00 66.70 66.02 1ngk h VAL 31 Cb 0.04 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1ngk h VAL 31 CO 0.00 0.21 -0.96 -0.07 0.02 0.00 0.00 177.57 176.76 1ngk h LEU 32 N -0.97 0.00 -1.72 2.57 4.07 -1.76 -3.22 115.31 114.27 1ngk h LEU 32 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1ngk h LEU 32 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1ngk h LEU 32 CO 0.02 0.87 0.00 0.08 -1.08 0.00 0.00 178.44 178.33 1ngk h ARG 33 N 0.00 0.00 0.00 1.13 0.11 -0.85 -0.64 114.38 114.13 1ngk h ARG 33 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ngk h ARG 33 Cb 1.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.78 1ngk h ARG 33 CO 0.11 0.00 -0.75 0.54 0.10 0.00 0.00 179.97 179.97 1ngk n ARG 34 N -2.63 0.20 -0.07 0.08 5.12 -1.21 -4.39 116.66 113.75 1ngk n ARG 34 Ca -0.01 0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.73 1ngk n ARG 34 Cb 0.13 -1.59 -0.13 0.00 -1.16 0.00 0.00 32.46 29.71 1ngk n ARG 34 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ngk n VAL 35 N -1.87 1.62 -2.40 1.55 0.31 -0.27 -4.86 118.33 112.41 1ngk n VAL 35 Ca 0.03 -0.52 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 1ngk n VAL 35 Cb 0.41 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.52 3.00 -0.47 3.52 1.51 -1.06 -4.95 117.35 116.39 1ngk s TYR 36 Ca -0.30 1.07 -0.45 0.00 -1.01 0.00 0.00 57.07 56.38 1ngk s TYR 36 Cb 0.08 -3.49 -0.19 0.00 -0.11 0.00 0.00 41.96 38.25 1ngk s TYR 36 CO 0.66 -1.66 1.78 -2.30 -1.11 0.00 0.00 175.55 172.91 1ngk n PRO 37 N 5.70 0.18 0.28 -1.71 -0.02 -1.26 -4.83 135.00 133.34 1ngk n PRO 37 Ca 0.12 0.06 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1ngk n PRO 37 Cb 0.45 -1.61 0.79 0.00 -0.02 0.00 0.00 33.50 33.12 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 6.58 0.00 -0.01 -0.52 -0.00 -1.92 -2.74 114.58 115.95 1ngk h GLU 38 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 1ngk h GLU 38 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.12 1ngk h GLU 38 CO 1.01 0.08 -0.05 -0.40 -0.00 0.00 0.00 179.01 179.66 1ngk n ASP 39 N -3.48 1.45 -1.40 3.06 3.85 -1.26 -4.33 116.55 114.44 1ngk n ASP 39 Ca -0.02 -1.40 0.04 0.00 -0.71 0.00 0.00 54.79 52.70 1ngk n ASP 39 Cb 0.22 0.02 0.06 0.00 -1.35 0.00 0.00 41.12 40.08 1ngk n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ngk n ASP 40 N 0.05 1.22 -0.10 -1.12 2.03 -1.03 -4.90 116.55 112.69 1ngk n ASP 40 Ca 0.18 -2.39 -0.11 0.00 0.52 0.00 0.00 54.79 52.99 1ngk n ASP 40 Cb 0.36 -0.35 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 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 1.10 0.90 0.14 -2.67 3.38 -1.75 -1.71 115.31 114.68 1ngk h LEU 41 Ca -0.17 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1ngk h LEU 41 Cb 1.69 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1ngk h LEU 41 CO 0.09 1.14 -0.06 0.00 0.09 0.00 0.00 178.44 179.70 1ngk h ALA 42 N 0.91 -0.18 -0.86 1.53 0.00 -1.94 -0.89 119.26 117.83 1ngk h ALA 42 Ca 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ngk h ALA 42 Cb 0.88 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1ngk h ALA 42 CO 0.08 -0.52 0.57 0.78 0.00 0.00 0.00 179.25 180.15 1ngk h GLY 43 N -0.34 1.21 1.00 0.00 0.00 -1.94 -1.52 103.07 101.48 1ngk h GLY 43 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ngk h GLY 43 CO 0.03 0.43 0.33 0.00 0.00 0.00 0.00 176.54 177.33 1ngk h ALA 44 N 1.32 0.65 -0.11 3.60 0.00 -1.23 -1.31 119.26 122.17 1ngk h ALA 44 Ca 0.32 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1ngk h ALA 44 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1ngk h ALA 44 CO -0.08 0.11 0.01 1.49 0.00 0.00 0.00 179.25 180.78 1ngk h GLU 45 N 0.69 0.05 -0.34 0.00 4.81 -0.67 -2.15 114.58 116.98 1ngk h GLU 45 Ca 0.19 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1ngk h GLU 45 Cb -0.06 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1ngk h GLU 45 CO -0.04 0.03 0.17 1.49 -0.73 0.00 0.00 179.01 179.93 1ngk h GLU 46 N 0.05 0.33 -0.64 1.92 4.81 -1.09 -0.53 114.58 119.43 1ngk h GLU 46 Ca 0.05 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ngk h GLU 46 Cb 0.05 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1ngk h GLU 46 CO -0.08 0.22 0.40 0.00 -0.73 0.00 0.00 179.01 178.83 1ngk h ARG 47 N 0.34 0.77 -0.14 1.92 3.08 -1.14 0.15 114.38 119.36 1ngk h ARG 47 Ca 0.14 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ngk h ARG 47 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ngk h ARG 47 CO -0.10 0.51 0.08 1.25 -1.07 0.00 0.00 179.97 180.64 1ngk h LEU 48 N 0.80 0.18 -0.31 3.04 5.85 -1.02 -0.30 115.31 123.56 1ngk h LEU 48 Ca 0.26 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1ngk h LEU 48 Cb 0.00 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 1ngk h LEU 48 CO -0.10 0.22 -0.18 -0.09 -0.34 0.00 0.00 178.44 177.95 1ngk h ARG 49 N 0.13 -0.14 -0.90 1.25 2.43 -0.74 -0.22 114.38 116.19 1ngk h ARG 49 Ca 0.05 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1ngk h ARG 49 Cb 0.08 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1ngk h ARG 49 CO -0.01 -0.10 0.49 0.52 -1.51 0.00 0.00 179.97 179.37 1ngk h MET 50 N -0.15 1.26 -0.22 0.20 2.86 -0.52 -0.05 114.93 118.31 1ngk h MET 50 Ca 0.16 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1ngk h MET 50 Cb 0.39 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1ngk h MET 50 CO -0.40 0.92 0.09 0.35 1.06 0.00 0.00 176.91 178.93 1ngk h PHE 51 N 1.27 0.33 -0.46 -0.22 3.57 -0.43 -2.02 116.94 118.99 1ngk h PHE 51 Ca 0.32 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1ngk h PHE 51 Cb 0.03 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ngk h PHE 51 CO 0.01 0.37 0.00 -0.07 -2.23 0.00 0.00 178.31 176.39 1ngk h LEU 52 N 0.20 0.79 -0.62 0.59 3.38 -0.68 0.55 115.31 119.53 1ngk h LEU 52 Ca 0.07 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1ngk h LEU 52 Cb 0.18 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1ngk h LEU 52 CO -0.01 0.90 0.29 -0.33 0.09 0.00 0.00 178.44 179.38 1ngk h GLU 53 N 0.65 0.50 -0.01 1.13 5.08 -0.95 -2.29 114.58 118.69 1ngk h GLU 53 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ngk h GLU 53 Cb 0.50 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ngk h GLU 53 CO 0.02 0.33 0.00 0.37 -1.00 0.00 0.00 179.01 178.74 1ngk h GLN 54 N 0.52 0.02 -0.96 2.33 4.15 -0.97 0.30 115.11 120.50 1ngk h GLN 54 Ca 0.30 -0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.84 1ngk h GLN 54 Cb 0.29 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 1ngk h GLN 54 CO -0.24 0.32 0.61 -0.92 -1.93 0.00 0.00 178.83 176.67 1ngk h TYR 55 N -0.29 1.02 -0.37 3.99 5.03 -0.57 -1.55 116.97 124.24 1ngk h TYR 55 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1ngk h TYR 55 Cb 0.31 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.27 1ngk h TYR 55 CO 0.03 0.39 0.00 0.91 -1.32 0.00 0.00 178.16 178.17 1ngk n TRP 56 N -4.60 0.65 -0.05 -3.82 7.02 -0.89 -4.88 117.44 110.87 1ngk n TRP 56 Ca 0.19 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 1ngk n TRP 56 Cb 0.41 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 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 0.94 0.97 0.00 6.99 0.00 -0.58 -0.86 105.19 112.65 1ngk n GLY 57 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.05 0.59 3.70 -0.02 0.00 0.10 -4.79 105.19 102.73 1ngk n GLY 58 Ca 0.00 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 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 1.84 -1.07 1.61 -0.02 -1.26 -4.62 135.00 131.48 1ngk n PRO 59 Ca 0.00 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1ngk n PRO 59 Cb 0.00 -2.41 0.22 0.00 -0.02 0.00 0.00 33.50 31.29 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 -0.20 2.83 -0.25 -0.52 1.74 -1.26 -3.33 116.66 115.67 1ngk n ARG 60 Ca 0.08 -2.85 0.02 0.00 -0.77 0.00 0.00 57.85 54.32 1ngk n ARG 60 Cb 0.41 -2.14 0.24 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.68 1.16 -0.17 0.55 2.02 -1.90 -2.96 112.91 113.27 1ngk h THR 61 Ca 0.44 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1ngk h THR 61 Cb 2.53 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 68.90 1ngk h THR 61 CO 0.89 0.19 -0.44 0.22 0.37 0.00 0.00 175.52 176.75 1ngk h TYR 62 N 1.04 -1.28 -0.94 3.16 3.20 -1.79 -1.02 116.97 119.35 1ngk h TYR 62 Ca 0.32 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.34 1ngk h TYR 62 Cb -0.01 0.58 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 1ngk h TYR 62 CO -0.00 -0.48 0.57 0.66 -1.64 0.00 0.00 178.16 177.27 1ngk h SER 63 N -0.48 0.85 -0.53 -2.11 4.64 -1.70 0.45 113.55 114.66 1ngk h SER 63 Ca 0.08 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1ngk h SER 63 Cb 0.63 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1ngk h SER 63 CO -0.43 0.47 0.21 -0.33 -0.87 0.00 0.00 176.83 175.88 1ngk h GLU 64 N 0.94 0.80 0.07 4.77 5.08 -1.25 0.50 114.58 125.50 1ngk h GLU 64 Ca 0.45 -0.15 -0.30 0.00 -1.00 0.00 0.00 59.36 58.37 1ngk h GLU 64 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ngk h GLU 64 CO -0.25 0.70 -1.58 1.96 -1.00 0.00 0.00 179.01 178.85 1ngk h GLN 65 N 0.73 0.15 -0.00 2.33 1.08 -0.74 -3.40 115.11 115.25 1ngk h GLN 65 Ca 0.18 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ngk h GLN 65 Cb 0.20 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1ngk h GLN 65 CO -0.01 0.94 -0.11 0.54 -0.95 0.00 0.00 178.83 179.24 1ngk n ARG 66 N -3.33 3.28 0.00 1.46 5.12 0.15 -5.10 116.66 118.24 1ngk n ARG 66 Ca -0.17 -0.30 0.00 0.00 -1.93 0.00 0.00 57.85 55.45 1ngk n ARG 66 Cb 1.03 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 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 0.75 -1.50 3.53 -0.13 0.00 0.17 -4.84 105.19 103.17 1ngk n GLY 67 Ca 0.01 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1ngk n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ngk n HIS 68 N -0.09 -0.04 -0.16 1.61 8.25 -1.26 -4.27 115.22 119.27 1ngk n HIS 68 Ca 0.00 0.42 -0.03 0.00 -0.26 0.00 0.00 57.72 57.85 1ngk n HIS 68 Cb 0.00 -2.03 0.04 0.00 1.12 0.00 0.00 29.99 29.13 1ngk n HIS 68 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ngk h PRO 69 N 0.19 0.04 -6.67 -0.41 0.11 -1.97 -3.46 132.00 119.83 1ngk h PRO 69 Ca -0.47 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 1ngk h PRO 69 Cb 1.38 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.34 1ngk h PRO 69 CO 0.48 0.03 -0.88 0.54 -0.21 0.00 0.00 178.00 177.96 1ngk n ARG 70 N -5.31 -2.92 -0.14 1.05 1.74 -1.26 -4.78 116.66 105.04 1ngk n ARG 70 Ca 0.05 0.35 0.01 0.00 -0.77 0.00 0.00 57.85 57.49 1ngk n ARG 70 Cb 0.27 -4.63 0.29 0.00 -1.02 0.00 0.00 32.46 27.37 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 -1.69 0.73 -0.32 0.55 3.38 -1.98 -0.33 115.31 115.65 1ngk h LEU 71 Ca -0.62 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1ngk h LEU 71 Cb 1.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1ngk h LEU 71 CO 0.70 0.57 0.21 -0.09 0.09 0.00 0.00 178.44 179.91 1ngk h ARG 72 N 0.84 0.43 -0.05 1.13 2.43 -1.94 -0.14 114.38 117.08 1ngk h ARG 72 Ca 0.22 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1ngk h ARG 72 Cb -0.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1ngk h ARG 72 CO -0.04 0.29 -0.69 0.52 -1.51 0.00 0.00 179.97 178.54 1ngk h MET 73 N 0.43 0.23 0.00 0.20 2.86 -1.82 -1.49 114.93 115.34 1ngk h MET 73 Ca 0.12 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1ngk h MET 73 Cb -0.04 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1ngk h MET 73 CO -0.02 0.83 -0.29 0.00 1.06 0.00 0.00 176.91 178.48 1ngk h ARG 74 N 0.16 0.00 -0.02 1.72 -0.00 -0.73 -2.50 114.38 113.00 1ngk h ARG 74 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1ngk h ARG 74 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1ngk h ARG 74 CO 0.11 0.29 -0.21 0.72 0.00 0.00 0.00 179.97 180.88 1ngk n HIS 75 N -4.04 0.00 -0.15 3.04 8.25 -0.10 -4.38 115.22 117.85 1ngk n HIS 75 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 1ngk n HIS 75 Cb 0.35 -0.03 0.40 0.00 1.12 0.00 0.00 29.99 31.83 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 4.11 1.80 0.00 -1.41 0.00 -0.80 -1.59 119.26 121.37 1ngk h ALA 76 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ngk h ALA 76 Cb 0.69 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ngk h ALA 76 CO 0.00 0.08 0.00 -2.30 0.00 0.00 0.00 179.25 177.03 1ngk n PRO 77 N -4.48 0.10 -4.77 0.00 -0.02 -1.26 -4.71 135.00 119.87 1ngk n PRO 77 Ca 0.11 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 1ngk n PRO 77 Cb 0.28 -1.83 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 1ngk n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ngk s PHE 78 N -3.39 2.56 -0.64 6.00 0.40 -0.60 -5.07 117.98 117.25 1ngk s PHE 78 Ca -0.01 -0.25 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 1ngk s PHE 78 Cb 0.05 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 42.14 1ngk s PHE 78 CO 0.16 0.21 0.95 1.03 0.70 0.00 0.00 175.22 178.27 1ngk s ARG 79 N -1.22 3.15 -0.45 0.44 0.52 -1.26 -4.89 118.95 115.23 1ngk s ARG 79 Ca 0.14 -0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1ngk s ARG 79 Cb -0.10 -4.19 0.09 0.00 0.52 0.00 0.00 34.95 31.26 1ngk s ARG 79 CO 0.04 -1.74 0.34 0.42 0.02 0.00 0.00 175.30 174.37 1ngk s ILE 80 N 4.01 4.63 0.35 1.52 1.01 -1.26 -4.93 121.20 126.53 1ngk s ILE 80 Ca 0.23 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.58 1ngk s ILE 80 Cb -0.16 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1ngk s ILE 80 CO 0.12 -0.60 0.47 -1.54 0.00 0.00 0.00 174.94 173.38 1ngk n SER 81 N 5.04 1.34 0.07 3.58 3.41 -1.25 -0.11 113.62 125.70 1ngk n SER 81 Ca -0.11 -1.95 0.16 0.00 -0.26 0.00 0.00 58.87 56.71 1ngk n SER 81 Cb 0.43 -0.24 0.65 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.05 -0.19 1.04 4.07 -1.88 -0.63 115.31 117.77 1ngk h LEU 82 Ca -0.17 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1ngk h LEU 82 Cb 0.76 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1ngk h LEU 82 CO 0.24 0.03 0.07 0.40 -1.08 0.00 0.00 178.44 178.10 1ngk h ILE 83 N 0.05 1.17 -0.17 1.22 2.04 -1.95 0.17 117.51 120.03 1ngk h ILE 83 Ca 0.18 -0.52 -0.17 0.00 1.00 0.00 0.00 64.86 65.36 1ngk h ILE 83 Cb 0.65 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1ngk h ILE 83 CO -0.01 0.16 -0.58 -0.33 0.00 0.00 0.00 178.15 177.39 1ngk h GLU 84 N 0.15 0.55 -0.30 2.37 3.07 -1.80 -1.30 114.58 117.32 1ngk h GLU 84 Ca 0.06 -0.36 0.02 0.00 -0.50 0.00 0.00 59.36 58.58 1ngk h GLU 84 Cb 0.19 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1ngk h GLU 84 CO -0.00 0.97 0.15 -0.09 -1.40 0.00 0.00 179.01 178.64 1ngk h ARG 85 N 0.41 0.31 -0.32 2.33 2.43 -0.99 -0.58 114.38 117.98 1ngk h ARG 85 Ca 0.00 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1ngk h ARG 85 Cb 1.13 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1ngk h ARG 85 CO 0.11 0.21 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.31 1ngk h ASP 86 N 0.32 0.57 -0.64 -3.80 3.45 -0.52 -1.22 116.42 114.59 1ngk h ASP 86 Ca 0.12 -0.33 0.04 0.00 0.43 0.00 0.00 57.03 57.29 1ngk h ASP 86 Cb 0.03 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.60 1ngk h ASP 86 CO -0.08 0.76 0.39 0.00 -1.57 0.00 0.00 179.24 178.75 1ngk h ALA 87 N 0.83 0.84 -0.09 3.45 0.00 -1.16 0.22 119.26 123.35 1ngk h ALA 87 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ngk h ALA 87 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ngk h ALA 87 CO 0.02 0.12 0.02 2.35 0.00 0.00 0.00 179.25 181.76 1ngk h TRP 88 N 0.75 0.04 -0.81 0.00 7.01 -0.93 -1.45 115.95 120.55 1ngk h TRP 88 Ca 0.27 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 1ngk h TRP 88 Cb 0.06 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 1ngk h TRP 88 CO -0.06 0.02 0.41 -0.07 -2.79 0.00 0.00 178.44 175.95 1ngk h LEU 89 N 0.06 1.04 -0.04 0.65 3.38 -0.87 -0.34 115.31 119.19 1ngk h LEU 89 Ca 0.04 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ngk h LEU 89 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1ngk h LEU 89 CO -0.05 0.86 -0.08 -0.09 0.09 0.00 0.00 178.44 179.17 1ngk h ARG 90 N 1.15 -0.11 -0.32 1.13 2.43 -0.72 0.29 114.38 118.22 1ngk h ARG 90 Ca 0.28 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1ngk h ARG 90 Cb 0.09 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ngk h ARG 90 CO -0.04 -0.08 0.12 0.00 -1.51 0.00 0.00 179.97 178.46 1ngk h MET 92 N 0.37 1.05 -0.72 0.00 1.85 -0.96 -1.91 114.93 114.60 1ngk h MET 92 Ca 0.11 -0.28 0.01 0.00 -0.61 0.00 0.00 59.70 58.93 1ngk h MET 92 Cb 0.21 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 1ngk h MET 92 CO -0.01 0.97 0.48 0.45 -0.40 0.00 0.00 176.91 178.40 1ngk h HIS 93 N 0.96 0.91 -0.45 1.39 -0.00 -0.28 0.32 115.15 118.00 1ngk h HIS 93 Ca 0.19 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.46 1ngk h HIS 93 Cb 0.42 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1ngk h HIS 93 CO 0.03 0.57 -0.22 1.79 -0.00 0.00 0.00 177.93 180.10 1ngk h THR 94 N 0.98 1.27 -0.03 2.45 1.35 -1.28 0.54 112.91 118.19 1ngk h THR 94 Ca 0.26 -1.37 0.01 0.00 -0.55 0.00 0.00 66.41 64.76 1ngk h THR 94 Cb -0.11 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1ngk h THR 94 CO -0.06 0.47 -0.01 0.00 -0.25 0.00 0.00 175.52 175.67 1ngk h ALA 95 N 0.95 0.01 -0.39 6.62 0.00 -0.89 -2.26 119.26 123.31 1ngk h ALA 95 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ngk h ALA 95 Cb 0.78 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1ngk h ALA 95 CO 0.06 -0.50 0.10 0.28 0.00 0.00 0.00 179.25 179.19 1ngk h VAL 96 N -0.01 1.22 -0.56 0.00 2.07 -0.87 -2.49 116.25 115.60 1ngk h VAL 96 Ca 0.02 -0.75 0.16 0.00 0.82 0.00 0.00 66.70 66.95 1ngk h VAL 96 Cb 0.04 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1ngk h VAL 96 CO -0.04 0.26 0.50 0.00 0.02 0.00 0.00 177.57 178.32 1ngk h ALA 97 N 0.95 2.38 0.00 1.67 0.00 -0.74 -0.02 119.26 123.49 1ngk h ALA 97 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 97 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ngk h ALA 97 CO -0.00 -0.79 0.00 -1.13 0.00 0.00 0.00 179.25 177.33 1ngk n SER 98 N -3.93 0.13 -4.72 0.00 3.41 -0.86 -4.68 113.62 102.95 1ngk n SER 98 Ca 0.11 0.52 -0.39 0.00 -0.26 0.00 0.00 58.87 58.85 1ngk n SER 98 Cb 0.73 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 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 -3.04 5.07 0.76 -1.33 -1.09 -0.02 -5.06 121.20 116.49 1ngk s ILE 99 Ca 0.10 1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 59.70 1ngk s ILE 99 Cb 0.14 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1ngk s ILE 99 CO 0.41 0.29 1.09 1.51 -1.23 0.00 0.00 174.94 177.01 1ngk s ASP 100 N 0.66 4.90 0.44 3.58 3.84 -1.26 -4.82 116.67 124.01 1ngk s ASP 100 Ca 0.34 1.31 0.22 0.00 -0.00 0.00 0.00 52.55 54.42 1ngk s ASP 100 Cb -0.17 -2.09 0.99 0.00 -1.38 0.00 0.00 42.92 40.28 1ngk s ASP 100 CO 0.16 -1.71 1.88 0.77 -0.00 0.00 0.00 175.17 176.27 1ngk h SER 101 N -0.91 0.00 -0.30 2.11 4.64 -1.96 -1.16 113.55 115.97 1ngk h SER 101 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1ngk h SER 101 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1ngk h SER 101 CO 0.60 0.25 0.09 -0.33 -0.87 0.00 0.00 176.83 176.58 1ngk h GLU 102 N 0.00 0.47 0.26 4.77 4.39 -1.97 -3.20 114.58 119.30 1ngk h GLU 102 Ca -0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ngk h GLU 102 Cb 0.64 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1ngk h GLU 102 CO 0.03 0.52 -0.13 1.15 -1.16 0.00 0.00 179.01 179.43 1ngk h THR 103 N 0.33 0.72 -3.47 1.13 2.02 -1.86 -3.42 112.91 108.36 1ngk h THR 103 Ca 0.10 -0.77 -0.71 0.00 0.77 0.00 0.00 66.41 65.79 1ngk h THR 103 Cb 0.25 1.10 -0.33 0.00 -1.74 0.00 0.00 68.15 67.44 1ngk h THR 103 CO -0.00 0.15 -0.41 -0.22 0.37 0.00 0.00 175.52 175.41 1ngk s LEU 104 N -9.32 5.47 0.80 2.58 0.20 -0.46 -4.52 118.68 113.43 1ngk s LEU 104 Ca -0.13 -2.30 -0.14 0.00 0.69 0.00 0.00 54.13 52.24 1ngk s LEU 104 Cb 0.02 -1.91 -0.12 0.00 -0.43 0.00 0.00 46.19 43.74 1ngk s LEU 104 CO 0.51 -0.53 -0.63 0.47 -0.29 0.00 0.00 176.35 175.88 1ngk n ASP 105 N 4.29 -4.89 -0.08 3.68 8.00 -1.21 -4.35 116.55 121.99 1ngk n ASP 105 Ca 0.00 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 1ngk n ASP 105 Cb 0.40 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.83 1ngk n ASP 105 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ngk h ASP 106 N -0.77 0.39 -0.25 -2.24 3.32 -1.98 0.43 116.42 115.32 1ngk h ASP 106 Ca -0.36 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 1ngk h ASP 106 Cb 1.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1ngk h ASP 106 CO 0.20 0.55 0.15 -0.33 -1.72 0.00 0.00 179.24 178.09 1ngk h GLU 107 N 0.21 0.33 -0.18 3.56 3.07 -1.99 -0.85 114.58 118.73 1ngk h GLU 107 Ca 0.07 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1ngk h GLU 107 Cb 0.33 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1ngk h GLU 107 CO 0.00 0.26 0.04 0.45 -1.40 0.00 0.00 179.01 178.37 1ngk h HIS 108 N 0.31 0.31 -0.59 4.33 3.86 -1.90 -1.65 115.15 119.82 1ngk h HIS 108 Ca 0.09 -0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.37 1ngk h HIS 108 Cb 0.01 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.31 1ngk h HIS 108 CO -0.05 0.43 0.14 -0.09 0.86 0.00 0.00 177.93 179.22 1ngk h ARG 109 N 0.11 0.27 -0.07 2.45 2.43 -0.84 -0.38 114.38 118.35 1ngk h ARG 109 Ca 0.06 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1ngk h ARG 109 Cb 0.28 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1ngk h ARG 109 CO 0.00 0.18 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.42 1ngk h ARG 110 N 0.28 -0.18 -0.49 0.20 9.65 -0.98 -1.01 114.38 121.85 1ngk h ARG 110 Ca 0.31 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.17 1ngk h ARG 110 Cb 0.44 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1ngk h ARG 110 CO -0.38 -0.12 0.21 1.49 2.80 0.00 0.00 179.97 183.98 1ngk h GLU 111 N -0.19 0.72 0.18 0.20 4.81 -0.65 0.13 114.58 119.77 1ngk h GLU 111 Ca 0.07 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ngk h GLU 111 Cb 0.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1ngk h GLU 111 CO -0.18 0.62 -0.08 1.25 -0.73 0.00 0.00 179.01 179.89 1ngk h LEU 112 N 0.64 -0.20 -0.83 1.64 5.85 -0.91 -2.39 115.31 119.11 1ngk h LEU 112 Ca 0.16 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1ngk h LEU 112 Cb 0.16 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1ngk h LEU 112 CO -0.02 -0.13 0.30 -0.07 -0.34 0.00 0.00 178.44 178.19 1ngk h LEU 113 N -0.25 1.07 -0.51 2.25 4.07 -1.03 -1.45 115.31 119.45 1ngk h LEU 113 Ca -0.02 -0.17 0.07 0.00 0.08 0.00 0.00 57.88 57.84 1ngk h LEU 113 Cb 0.20 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 1ngk h LEU 113 CO 0.04 0.96 0.19 0.44 -1.08 0.00 0.00 178.44 178.98 1ngk h ASP 114 N 1.13 0.20 -0.13 -0.43 5.19 -0.69 -1.20 116.42 120.48 1ngk h ASP 114 Ca 0.26 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1ngk h ASP 114 Cb 0.22 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1ngk h ASP 114 CO -0.02 0.14 0.03 0.22 -3.12 0.00 0.00 179.24 176.49 1ngk h TYR 115 N 0.37 0.23 -0.76 4.55 5.03 -0.97 -2.24 116.97 123.18 1ngk h TYR 115 Ca 0.24 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.50 1ngk h TYR 115 Cb 0.26 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.44 1ngk h TYR 115 CO -0.16 0.38 0.36 -0.07 -1.32 0.00 0.00 178.16 177.35 1ngk h LEU 116 N 0.01 0.99 -0.41 2.82 3.38 -1.09 0.59 115.31 121.60 1ngk h LEU 116 Ca 0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ngk h LEU 116 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ngk h LEU 116 CO 0.00 0.84 0.04 -0.33 0.09 0.00 0.00 178.44 179.08 1ngk h GLU 117 N 1.08 0.70 -0.42 1.13 5.08 -1.19 -0.55 114.58 120.41 1ngk h GLU 117 Ca 0.26 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1ngk h GLU 117 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ngk h GLU 117 CO -0.03 0.76 0.17 1.98 -1.00 0.00 0.00 179.01 180.89 1ngk h MET 118 N 0.55 0.63 -0.35 2.33 4.05 -1.07 -2.50 114.93 118.56 1ngk h MET 118 Ca 0.12 -0.11 -0.10 0.00 -0.28 0.00 0.00 59.70 59.33 1ngk h MET 118 Cb 0.42 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1ngk h MET 118 CO 0.01 0.58 -0.17 0.00 0.23 0.00 0.00 176.91 177.56 1ngk h ALA 119 N 1.02 0.49 -0.39 0.39 0.00 -0.77 -1.10 119.26 118.90 1ngk h ALA 119 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ngk h ALA 119 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ngk h ALA 119 CO -0.01 0.42 0.25 0.00 0.00 0.00 0.00 179.25 179.90 1ngk h ALA 120 N 0.78 0.49 -0.79 0.00 0.00 -1.12 -2.21 119.26 116.41 1ngk h ALA 120 Ca 0.08 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ngk h ALA 120 Cb 0.71 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1ngk h ALA 120 CO 0.05 -0.04 0.52 1.25 0.00 0.00 0.00 179.25 181.03 1ngk h HIS 121 N 0.52 0.97 0.00 0.00 6.17 -1.31 -2.08 115.15 119.43 1ngk h HIS 121 Ca 0.14 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.25 1ngk h HIS 121 Cb -0.04 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.56 1ngk h HIS 121 CO -0.04 0.59 0.00 0.66 0.71 0.00 0.00 177.93 179.84 1ngk h SER 122 N 1.03 0.00 -0.11 3.26 4.64 -0.61 -2.78 113.55 118.98 1ngk h SER 122 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1ngk h SER 122 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1ngk h SER 122 CO -0.09 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.05 1ngk n LEU 123 N -2.59 3.00 -4.71 5.97 4.77 -0.78 -4.92 117.00 117.73 1ngk n LEU 123 Ca -0.01 -1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 54.43 1ngk n LEU 123 Cb 0.09 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1ngk n LEU 123 CO 0.16 0.54 1.31 -0.69 -1.33 0.00 0.00 177.39 177.38 1ngk s VAL 124 N -1.78 2.46 -0.00 4.08 1.01 -1.05 -4.78 120.40 120.34 1ngk s VAL 124 Ca 0.29 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1ngk s VAL 124 Cb 0.20 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ngk s VAL 124 CO 0.29 0.02 0.65 -0.46 0.00 0.00 0.00 175.10 175.59 1ngk n ASN 125 N 4.29 0.40 -3.75 3.32 0.23 0.85 -5.01 115.26 115.59 1ngk n ASN 125 Ca 0.15 -1.31 -0.13 0.00 -0.53 0.00 0.00 54.58 52.75 1ngk n ASN 125 Cb 0.38 -0.03 -0.09 0.00 -2.08 0.00 0.00 39.78 37.96 1ngk n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ngk s SER 126 N -0.33 -0.27 0.49 0.53 0.15 -0.84 -4.80 113.70 108.64 1ngk s SER 126 Ca 0.01 0.32 0.28 0.00 0.70 0.00 0.00 55.95 57.26 1ngk s SER 126 Cb 0.01 0.46 0.92 0.00 -1.71 0.00 0.00 66.02 65.69 1ngk s SER 126 CO 0.00 -0.35 1.82 1.55 1.20 0.00 0.00 173.24 177.46 1ngk h PRO 127 N 4.41 0.00 0.00 5.44 0.13 -1.99 -3.34 132.00 136.65 1ngk h PRO 127 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ngk h PRO 127 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ngk h PRO 127 CO 0.36 0.04 0.00 1.97 -0.23 0.00 0.00 178.00 180.14