#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 6.37 0.26 3.14 1.04 -1.26 -4.85 113.70 118.40 1ngk s SER 4 Ca 0.00 2.59 -0.02 0.00 0.48 0.00 0.00 55.95 59.00 1ngk s SER 4 Cb 0.00 -2.63 0.56 0.00 0.10 0.00 0.00 66.02 64.05 1ngk s SER 4 CO 0.00 -0.80 1.70 0.15 0.98 0.00 0.00 173.24 175.26 1ngk h PHE 5 N 2.70 0.45 -0.26 5.02 3.57 -1.94 0.47 116.94 126.95 1ngk h PHE 5 Ca -0.49 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.10 1ngk h PHE 5 Cb 1.24 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1ngk h PHE 5 CO 0.54 -0.05 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.55 1ngk h TYR 6 N 0.35 -0.23 -0.48 0.41 3.20 -1.56 -2.03 116.97 116.63 1ngk h TYR 6 Ca 0.47 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.29 1ngk h TYR 6 Cb 0.83 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1ngk h TYR 6 CO -0.20 -0.16 0.01 -0.44 -1.64 0.00 0.00 178.16 175.73 1ngk h ASP 7 N -0.05 0.82 -0.47 -2.11 3.32 -1.58 0.31 116.42 116.65 1ngk h ASP 7 Ca 0.13 -0.30 0.08 0.00 0.02 0.00 0.00 57.03 56.96 1ngk h ASP 7 Cb 0.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1ngk h ASP 7 CO -0.30 0.92 0.32 0.00 -1.72 0.00 0.00 179.24 178.46 1ngk h ALA 8 N 0.93 2.03 -0.26 3.45 0.00 -0.51 -2.27 119.26 122.63 1ngk h ALA 8 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ngk h ALA 8 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ngk h ALA 8 CO 0.02 -0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.47 1ngk n VAL 9 N -4.47 0.33 0.00 0.00 0.24 -0.80 -4.90 118.33 108.73 1ngk n VAL 9 Ca 0.07 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1ngk n VAL 9 Cb 0.32 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 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 1.38 1.07 7.00 7.63 0.00 -0.85 -4.62 105.19 116.80 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 -1.77 3.03 0.27 -0.02 0.00 0.11 -3.44 105.19 103.36 1ngk n GLY 11 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.97 0.98 -0.81 4.61 0.00 -1.96 -2.10 119.26 119.01 1ngk h ALA 12 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ngk h ALA 12 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1ngk h ALA 12 CO 0.00 -0.05 0.52 -0.22 0.00 0.00 0.00 179.25 179.50 1ngk h LYS 13 N 0.60 0.99 -0.19 0.00 3.64 -1.97 -0.77 116.57 118.86 1ngk h LYS 13 Ca 0.35 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1ngk h LYS 13 Cb 0.37 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ngk h LYS 13 CO -0.27 0.65 -0.08 1.15 -2.27 0.00 0.00 179.45 178.64 1ngk h THR 14 N 1.02 1.30 -0.17 1.00 2.02 -1.44 -1.08 112.91 115.55 1ngk h THR 14 Ca 0.32 -1.11 -0.13 0.00 0.77 0.00 0.00 66.41 66.26 1ngk h THR 14 Cb 0.00 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1ngk h THR 14 CO -0.11 0.33 -0.46 -0.26 0.37 0.00 0.00 175.52 175.39 1ngk h PHE 15 N 0.09 0.52 -0.36 3.16 0.04 -1.29 0.15 116.94 119.25 1ngk h PHE 15 Ca 0.04 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1ngk h PHE 15 Cb 0.55 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1ngk h PHE 15 CO 0.06 0.82 0.13 0.22 -0.60 0.00 0.00 178.31 178.94 1ngk h ASP 16 N 0.35 0.50 0.14 2.17 -0.00 -1.16 -0.60 116.42 117.83 1ngk h ASP 16 Ca 0.02 -0.18 0.01 0.00 -0.00 0.00 0.00 57.03 56.87 1ngk h ASP 16 Cb 0.95 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 40.13 1ngk h ASP 16 CO 0.08 0.55 -0.16 0.00 -0.00 0.00 0.00 179.24 179.72 1ngk h ALA 17 N 0.97 -0.30 0.26 -0.78 0.00 -0.66 0.64 119.26 119.39 1ngk h ALA 17 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ngk h ALA 17 Cb 0.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ngk h ALA 17 CO -0.01 -0.69 -0.12 0.82 0.00 0.00 0.00 179.25 179.24 1ngk h ILE 18 N -0.34 0.75 -0.08 0.00 2.04 -0.67 -2.45 117.51 116.77 1ngk h ILE 18 Ca 0.01 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 1ngk h ILE 18 Cb 0.33 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1ngk h ILE 18 CO -0.05 0.01 -0.69 0.58 0.00 0.00 0.00 178.15 177.99 1ngk h VAL 19 N -0.37 1.39 -0.48 1.67 2.07 -1.06 -0.03 116.25 119.43 1ngk h VAL 19 Ca -0.04 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.31 1ngk h VAL 19 Cb 0.28 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1ngk h VAL 19 CO 0.06 0.63 0.05 0.77 0.02 0.00 0.00 177.57 179.10 1ngk h SER 20 N 0.25 0.79 0.08 0.57 4.64 -0.87 -0.20 113.55 118.80 1ngk h SER 20 Ca -0.02 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.89 1ngk h SER 20 Cb 1.25 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1ngk h SER 20 CO 0.12 0.87 -0.44 0.03 -0.87 0.00 0.00 176.83 176.53 1ngk h ARG 21 N 0.68 0.44 0.33 4.77 3.08 -1.29 -0.66 114.38 121.73 1ngk h ARG 21 Ca 0.14 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1ngk h ARG 21 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1ngk h ARG 21 CO 0.01 0.80 -0.24 0.35 -1.07 0.00 0.00 179.97 179.82 1ngk h PHE 22 N 0.36 -0.63 0.00 3.04 3.57 -0.75 -2.21 116.94 120.32 1ngk h PHE 22 Ca 0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1ngk h PHE 22 Cb 0.92 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1ngk h PHE 22 CO 0.03 -0.36 -0.14 1.88 -2.23 0.00 0.00 178.31 177.49 1ngk h TYR 23 N -0.57 0.00 -0.64 0.41 0.05 -0.89 -1.08 116.97 114.25 1ngk h TYR 23 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1ngk h TYR 23 Cb 0.49 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 1ngk h TYR 23 CO -0.12 0.14 0.25 0.00 -1.05 0.00 0.00 178.16 177.38 1ngk h ALA 24 N 1.86 0.83 0.14 3.88 0.00 -0.93 -2.47 119.26 122.56 1ngk h ALA 24 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ngk h ALA 24 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ngk h ALA 24 CO 0.02 0.45 -0.07 1.96 0.00 0.00 0.00 179.25 181.61 1ngk h GLN 25 N 0.90 -0.18 -0.78 0.00 1.08 -0.63 -3.14 115.11 112.37 1ngk h GLN 25 Ca 0.21 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.57 1ngk h GLN 25 Cb 0.21 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.53 1ngk h GLN 25 CO -0.02 -0.01 -0.24 0.28 -0.95 0.00 0.00 178.83 177.89 1ngk h VAL 26 N -0.30 0.18 -0.16 -0.54 2.07 -1.18 0.98 116.25 117.30 1ngk h VAL 26 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1ngk h VAL 26 Cb 0.24 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ngk h VAL 26 CO 0.03 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.77 1ngk h ALA 27 N 1.63 1.88 -0.11 1.67 0.00 -1.39 -0.51 119.26 122.43 1ngk h ALA 27 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1ngk h ALA 27 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ngk h ALA 27 CO -0.81 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 178.60 1ngk n GLU 28 N -4.04 2.16 -3.34 0.00 -0.58 0.27 -4.88 120.64 110.23 1ngk n GLU 28 Ca 0.01 -1.92 -0.40 0.00 -0.42 0.00 0.00 57.16 54.42 1ngk n GLU 28 Cb 0.27 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.74 6.25 0.17 1.62 2.15 -0.20 -4.98 116.67 119.95 1ngk s ASP 29 Ca 0.28 0.02 -0.19 0.00 0.43 0.00 0.00 52.55 53.09 1ngk s ASP 29 Cb 0.19 -2.23 0.09 0.00 -0.30 0.00 0.00 42.92 40.67 1ngk s ASP 29 CO 0.28 -0.33 1.64 -0.33 -0.17 0.00 0.00 175.17 176.26 1ngk h GLU 30 N 8.35 -0.12 0.18 4.34 5.08 -1.91 0.14 114.58 130.64 1ngk h GLU 30 Ca -0.30 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1ngk h GLU 30 Cb 1.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ngk h GLU 30 CO 0.70 -0.08 -0.09 0.28 -1.00 0.00 0.00 179.01 178.82 1ngk h VAL 31 N -0.13 0.84 -0.17 3.13 2.07 -1.94 -3.05 116.25 117.00 1ngk h VAL 31 Ca 0.19 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.47 1ngk h VAL 31 Cb 0.42 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ngk h VAL 31 CO -0.46 0.02 -0.59 -0.07 0.02 0.00 0.00 177.57 176.49 1ngk h LEU 32 N -0.28 0.63 -1.69 2.57 4.07 -1.79 -3.00 115.31 115.81 1ngk h LEU 32 Ca -0.03 -0.35 0.09 0.00 0.08 0.00 0.00 57.88 57.68 1ngk h LEU 32 Cb 0.22 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1ngk h LEU 32 CO 0.04 1.08 0.37 0.08 -1.08 0.00 0.00 178.44 178.93 1ngk h ARG 33 N 0.42 0.34 0.00 1.13 0.11 -0.70 0.41 114.38 116.09 1ngk h ARG 33 Ca -0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 1ngk h ARG 33 Cb 1.15 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 1ngk h ARG 33 CO 0.11 0.22 -0.25 0.00 0.10 0.00 0.00 179.97 180.16 1ngk h ARG 34 N 0.35 0.00 0.00 0.08 3.08 -1.41 -3.35 114.38 113.13 1ngk h ARG 34 Ca 0.25 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.93 1ngk h ARG 34 Cb 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1ngk h ARG 34 CO -0.06 0.25 -2.39 0.28 -1.07 0.00 0.00 179.97 176.97 1ngk n VAL 35 N -3.37 1.40 -2.30 2.04 0.31 0.03 -4.90 118.33 111.53 1ngk n VAL 35 Ca 0.00 -0.66 -0.42 0.00 -0.01 0.00 0.00 64.34 63.26 1ngk n VAL 35 Cb 0.47 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 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 -2.49 3.35 -0.83 3.52 1.51 -0.59 -4.91 117.35 116.91 1ngk s TYR 36 Ca -0.24 1.20 -0.26 0.00 -1.01 0.00 0.00 57.07 56.76 1ngk s TYR 36 Cb 0.08 -3.53 -0.12 0.00 -0.11 0.00 0.00 41.96 38.28 1ngk s TYR 36 CO 0.67 -1.71 2.28 -2.14 -1.11 0.00 0.00 175.55 173.54 1ngk s PRO 37 N 0.70 1.84 0.25 -1.71 0.02 -1.26 -4.78 135.00 130.07 1ngk s PRO 37 Ca 0.59 0.26 0.00 0.00 0.02 0.00 0.00 61.00 61.88 1ngk s PRO 37 Cb -0.33 -4.86 0.00 0.00 0.02 0.00 0.00 34.50 29.32 1ngk s PRO 37 CO 0.32 -4.19 0.47 -0.85 -0.33 0.00 0.00 177.00 172.42 1ngk n GLU 38 N 8.82 0.01 0.01 5.54 0.28 -1.26 -1.44 120.64 132.60 1ngk n GLU 38 Ca 0.45 0.36 0.12 0.00 -0.16 0.00 0.00 57.16 57.94 1ngk n GLU 38 Cb 0.44 -1.34 0.28 0.00 1.43 0.00 0.00 31.44 32.25 1ngk n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ngk n ASP 39 N -1.29 0.48 -3.03 -1.84 8.00 -1.26 -4.46 116.55 113.15 1ngk n ASP 39 Ca 0.00 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 1ngk n ASP 39 Cb 0.47 0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.64 0.85 -0.19 -2.24 2.03 -0.52 -4.89 116.55 109.95 1ngk n ASP 40 Ca 0.05 -2.95 -0.10 0.00 0.52 0.00 0.00 54.79 52.32 1ngk n ASP 40 Cb 0.36 -0.49 0.01 0.00 -0.72 0.00 0.00 41.12 40.29 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 2.99 1.03 -0.31 -2.67 3.38 -1.80 -1.55 115.31 116.38 1ngk h LEU 41 Ca 0.04 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.73 1ngk h LEU 41 Cb 1.03 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1ngk h LEU 41 CO 0.48 1.12 -0.03 0.00 0.09 0.00 0.00 178.44 180.10 1ngk h ALA 42 N 0.94 0.25 -0.65 1.53 0.00 -1.96 0.11 119.26 119.48 1ngk h ALA 42 Ca 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1ngk h ALA 42 Cb 0.63 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1ngk h ALA 42 CO 0.04 -0.43 0.21 0.78 0.00 0.00 0.00 179.25 179.86 1ngk h GLY 43 N 0.06 1.09 0.89 0.00 0.00 -1.93 -1.66 103.07 101.51 1ngk h GLY 43 Ca 0.15 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1ngk h GLY 43 CO -0.27 0.59 0.39 0.00 0.00 0.00 0.00 176.54 177.25 1ngk h ALA 44 N 1.09 0.82 -0.26 3.60 0.00 -0.83 -0.85 119.26 122.82 1ngk h ALA 44 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ngk h ALA 44 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ngk h ALA 44 CO -0.01 0.15 0.11 1.49 0.00 0.00 0.00 179.25 180.99 1ngk h GLU 45 N 0.78 0.39 -0.58 0.00 4.81 -0.60 -1.90 114.58 117.48 1ngk h GLU 45 Ca 0.25 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1ngk h GLU 45 Cb 0.01 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1ngk h GLU 45 CO -0.10 0.41 0.31 1.49 -0.73 0.00 0.00 179.01 180.40 1ngk h GLU 46 N 0.28 0.58 -0.30 1.92 4.81 -1.01 -1.50 114.58 119.36 1ngk h GLU 46 Ca 0.09 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1ngk h GLU 46 Cb 0.16 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ngk h GLU 46 CO -0.01 0.39 -0.43 0.00 -0.73 0.00 0.00 179.01 178.22 1ngk h ARG 47 N 0.60 0.82 -0.17 1.92 3.08 -0.99 -1.22 114.38 118.42 1ngk h ARG 47 Ca 0.25 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ngk h ARG 47 Cb 0.13 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ngk h ARG 47 CO -0.16 1.12 0.09 1.25 -1.07 0.00 0.00 179.97 181.20 1ngk h LEU 48 N 0.59 0.22 -0.28 3.04 5.85 -1.25 -1.18 115.31 122.31 1ngk h LEU 48 Ca 0.03 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1ngk h LEU 48 Cb 1.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1ngk h LEU 48 CO 0.10 0.25 0.03 -0.09 -0.34 0.00 0.00 178.44 178.39 1ngk h ARG 49 N 0.18 0.12 -0.72 1.25 2.43 -1.22 -1.13 114.38 115.28 1ngk h ARG 49 Ca 0.06 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1ngk h ARG 49 Cb 0.08 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1ngk h ARG 49 CO -0.01 0.08 0.48 0.52 -1.51 0.00 0.00 179.97 179.53 1ngk h MET 50 N 0.12 0.95 -0.05 0.20 2.86 -1.11 -0.50 114.93 117.41 1ngk h MET 50 Ca 0.13 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1ngk h MET 50 Cb 0.15 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1ngk h MET 50 CO -0.19 0.63 0.03 0.35 1.06 0.00 0.00 176.91 178.78 1ngk h PHE 51 N 0.98 0.07 -0.88 -0.22 3.57 -0.82 -1.19 116.94 118.45 1ngk h PHE 51 Ca 0.27 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ngk h PHE 51 Cb -0.11 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1ngk h PHE 51 CO -0.02 0.12 0.47 -0.07 -2.23 0.00 0.00 178.31 176.58 1ngk h LEU 52 N -0.00 1.11 -0.28 0.59 3.38 -0.93 0.28 115.31 119.44 1ngk h LEU 52 Ca 0.02 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ngk h LEU 52 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ngk h LEU 52 CO -0.00 0.90 0.16 -0.33 0.09 0.00 0.00 178.44 179.25 1ngk h GLU 53 N 1.23 0.32 -0.25 1.13 5.08 -0.92 -1.59 114.58 119.58 1ngk h GLU 53 Ca 0.31 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1ngk h GLU 53 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1ngk h GLU 53 CO -0.05 0.21 0.03 0.37 -1.00 0.00 0.00 179.01 178.57 1ngk h GLN 54 N 0.33 0.42 -0.78 2.33 4.15 -0.69 0.26 115.11 121.13 1ngk h GLN 54 Ca 0.11 -0.12 0.12 0.00 0.77 0.00 0.00 58.65 59.53 1ngk h GLN 54 Cb 0.01 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.57 1ngk h GLN 54 CO -0.06 0.56 0.39 -0.92 -1.93 0.00 0.00 178.83 176.87 1ngk h TYR 55 N 0.22 0.69 -0.28 3.99 5.03 -0.18 -1.00 116.97 125.45 1ngk h TYR 55 Ca 0.08 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1ngk h TYR 55 Cb 0.35 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1ngk h TYR 55 CO 0.02 0.21 0.00 0.91 -1.32 0.00 0.00 178.16 177.98 1ngk n TRP 56 N -4.87 0.37 0.00 -3.82 7.02 -0.62 -4.87 117.44 110.65 1ngk n TRP 56 Ca 0.14 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1ngk n TRP 56 Cb 0.34 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.95 1.01 0.00 6.99 0.00 -0.38 -1.41 105.19 112.35 1ngk n GLY 57 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.59 0.63 3.53 -0.02 0.00 0.90 -4.85 105.19 103.79 1ngk n GLY 58 Ca 0.00 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 0.25 -0.93 1.61 -0.02 -1.26 -4.62 135.00 130.03 1ngk n PRO 59 Ca 0.00 0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1ngk n PRO 59 Cb 0.00 -2.03 0.31 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.57 3.84 -0.35 -0.52 1.74 -1.26 -3.58 116.66 114.96 1ngk n ARG 60 Ca 0.11 -2.87 0.08 0.00 -0.77 0.00 0.00 57.85 54.40 1ngk n ARG 60 Cb 0.50 -2.17 0.26 0.00 -1.02 0.00 0.00 32.46 30.02 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 2.81 0.90 0.35 0.55 2.02 -1.90 -1.63 112.91 116.02 1ngk h THR 61 Ca 0.19 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1ngk h THR 61 Cb 2.15 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1ngk h THR 61 CO 0.64 0.18 -0.44 0.22 0.37 0.00 0.00 175.52 176.49 1ngk h TYR 62 N 0.96 -1.22 -0.09 3.16 3.20 -1.80 -0.93 116.97 120.25 1ngk h TYR 62 Ca 0.50 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.34 1ngk h TYR 62 Cb 0.53 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1ngk h TYR 62 CO -0.00 -0.56 -0.12 0.66 -1.64 0.00 0.00 178.16 176.50 1ngk h SER 63 N -0.81 0.12 -0.31 -2.11 4.64 -1.70 0.48 113.55 113.86 1ngk h SER 63 Ca -0.04 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1ngk h SER 63 Cb 0.72 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1ngk h SER 63 CO -0.10 0.26 0.07 -0.33 -0.87 0.00 0.00 176.83 175.86 1ngk h GLU 64 N 0.13 0.59 0.00 4.77 5.08 -1.00 0.78 114.58 124.92 1ngk h GLU 64 Ca 0.03 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 1ngk h GLU 64 Cb 0.30 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1ngk h GLU 64 CO 0.02 0.56 -2.15 1.04 -1.00 0.00 0.00 179.01 177.48 1ngk n GLN 65 N -4.31 0.67 -0.00 2.33 6.02 -0.38 -4.65 117.38 117.06 1ngk n GLN 65 Ca 0.02 -0.04 0.02 0.00 -0.01 0.00 0.00 57.00 56.99 1ngk n GLN 65 Cb 0.21 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.62 1.35 0.00 -1.09 5.12 0.16 -5.10 116.66 114.48 1ngk n ARG 66 Ca -0.21 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 1ngk n ARG 66 Cb 0.94 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 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 2.05 -2.17 3.61 -0.13 0.00 0.26 -4.88 105.19 103.94 1ngk n GLY 67 Ca -0.00 -1.61 -0.49 0.00 0.00 0.00 0.00 46.02 43.92 1ngk n GLY 67 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ngk n HIS 68 N -0.15 1.59 -2.10 1.61 -0.00 -1.26 -4.29 115.22 110.61 1ngk n HIS 68 Ca 0.00 0.59 -0.41 0.00 -0.00 0.00 0.00 57.72 57.90 1ngk n HIS 68 Cb 0.00 -2.35 -0.02 0.00 -0.00 0.00 0.00 29.99 27.62 1ngk n HIS 68 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1ngk s PRO 69 N -0.08 4.33 -0.38 1.57 0.02 -1.26 -4.96 135.00 134.24 1ngk s PRO 69 Ca 0.75 2.21 0.10 0.00 0.02 0.00 0.00 61.00 64.08 1ngk s PRO 69 Cb -0.82 -3.12 0.30 0.00 0.02 0.00 0.00 34.50 30.88 1ngk s PRO 69 CO 0.49 -0.30 0.62 0.54 -0.33 0.00 0.00 177.00 178.02 1ngk n ARG 70 N 1.86 0.83 -0.22 5.54 1.74 -1.26 -5.02 116.66 120.13 1ngk n ARG 70 Ca 0.04 -3.29 -0.07 0.00 -0.77 0.00 0.00 57.85 53.76 1ngk n ARG 70 Cb 0.41 -1.44 0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 3.55 0.82 -0.37 0.55 3.38 -1.98 -0.71 115.31 120.55 1ngk h LEU 71 Ca 0.08 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1ngk h LEU 71 Cb 0.92 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1ngk h LEU 71 CO 0.48 0.73 0.07 -0.09 0.09 0.00 0.00 178.44 179.71 1ngk h ARG 72 N 0.85 0.18 -0.41 1.13 2.43 -1.96 0.09 114.38 116.69 1ngk h ARG 72 Ca 0.21 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1ngk h ARG 72 Cb 0.14 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1ngk h ARG 72 CO -0.02 0.12 -0.17 1.98 -1.51 0.00 0.00 179.97 180.36 1ngk h MET 73 N 0.19 0.77 0.00 0.20 4.05 -1.88 -1.45 114.93 116.81 1ngk h MET 73 Ca 0.18 -0.28 -0.08 0.00 -0.28 0.00 0.00 59.70 59.24 1ngk h MET 73 Cb 0.21 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1ngk h MET 73 CO -0.24 0.89 -0.36 0.00 0.23 0.00 0.00 176.91 177.43 1ngk h ARG 74 N 0.68 0.00 0.00 0.39 2.47 -0.73 -2.66 114.38 114.54 1ngk h ARG 74 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1ngk h ARG 74 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1ngk h ARG 74 CO 0.05 0.36 -0.47 0.72 0.56 0.00 0.00 179.97 181.19 1ngk n HIS 75 N -3.76 0.48 -0.25 3.04 8.25 -0.02 -4.44 115.22 118.52 1ngk n HIS 75 Ca -0.01 0.14 0.15 0.00 -0.26 0.00 0.00 57.72 57.74 1ngk n HIS 75 Cb 0.45 -0.62 0.43 0.00 1.12 0.00 0.00 29.99 31.37 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 2.63 1.98 0.00 -1.41 0.00 -0.89 -0.96 119.26 120.60 1ngk h ALA 76 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ngk h ALA 76 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ngk h ALA 76 CO 0.00 -0.24 0.00 -1.35 0.00 0.00 0.00 179.25 177.66 1ngk h PRO 77 N 0.57 0.00 -6.12 0.00 0.11 -1.77 -3.44 132.00 121.35 1ngk h PRO 77 Ca 0.46 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.89 1ngk h PRO 77 Cb 0.90 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.85 1ngk h PRO 77 CO -0.20 0.00 -0.65 -0.06 -0.21 0.00 0.00 178.00 176.88 1ngk s PHE 78 N -3.68 3.05 -0.70 0.65 0.40 -0.37 -5.06 117.98 112.28 1ngk s PHE 78 Ca -0.00 0.09 -0.24 0.00 -0.60 0.00 0.00 56.93 56.17 1ngk s PHE 78 Cb 0.09 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.98 1ngk s PHE 78 CO 0.40 0.43 1.08 1.03 0.70 0.00 0.00 175.22 178.87 1ngk s ARG 79 N -1.24 3.15 -0.62 0.44 0.52 -1.26 -4.91 118.95 115.03 1ngk s ARG 79 Ca 0.16 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.63 1ngk s ARG 79 Cb -0.11 -4.24 0.16 0.00 0.52 0.00 0.00 34.95 31.28 1ngk s ARG 79 CO 0.06 -1.94 0.50 0.42 0.02 0.00 0.00 175.30 174.37 1ngk s ILE 80 N 4.62 4.53 0.60 1.52 1.01 -1.26 -4.91 121.20 127.31 1ngk s ILE 80 Ca 0.27 -2.28 0.00 0.00 0.00 0.00 0.00 60.65 58.64 1ngk s ILE 80 Cb -0.13 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.54 1ngk s ILE 80 CO 0.11 -0.88 0.82 -1.54 0.00 0.00 0.00 174.94 173.45 1ngk n SER 81 N 4.28 1.14 0.30 3.58 3.41 -1.26 -0.84 113.62 124.23 1ngk n SER 81 Ca 0.02 -1.95 0.16 0.00 -0.26 0.00 0.00 58.87 56.84 1ngk n SER 81 Cb 0.42 -0.53 0.92 0.00 -0.26 0.00 0.00 64.21 64.76 1ngk n SER 81 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ngk h LEU 82 N 0.00 0.00 -0.05 1.04 8.10 -1.91 -1.49 115.31 121.00 1ngk h LEU 82 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.71 1ngk h LEU 82 Cb 1.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.23 1ngk h LEU 82 CO 0.29 0.04 0.00 0.40 -4.11 0.00 0.00 178.44 175.06 1ngk h ILE 83 N 0.00 1.25 -0.54 0.15 2.04 -1.95 -0.01 117.51 118.45 1ngk h ILE 83 Ca -0.00 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 1ngk h ILE 83 Cb 0.13 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1ngk h ILE 83 CO 0.00 0.21 0.00 -0.33 0.00 0.00 0.00 178.15 178.04 1ngk h GLU 84 N -0.21 0.95 -0.19 2.37 3.07 -1.79 -1.15 114.58 117.63 1ngk h GLU 84 Ca 0.01 -0.30 0.04 0.00 -0.50 0.00 0.00 59.36 58.62 1ngk h GLU 84 Cb 0.33 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1ngk h GLU 84 CO 0.00 0.96 -0.10 -0.09 -1.40 0.00 0.00 179.01 178.38 1ngk h ARG 85 N 0.83 -0.08 -0.70 2.33 2.43 -1.24 -0.37 114.38 117.57 1ngk h ARG 85 Ca 0.15 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1ngk h ARG 85 Cb 0.53 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1ngk h ARG 85 CO 0.03 -0.05 0.27 -0.44 -1.51 0.00 0.00 179.97 178.27 1ngk h ASP 86 N -0.08 0.98 -0.38 -3.80 3.32 -0.79 -0.72 116.42 114.95 1ngk h ASP 86 Ca 0.11 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1ngk h ASP 86 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1ngk h ASP 86 CO -0.24 0.89 0.19 0.00 -1.72 0.00 0.00 179.24 178.36 1ngk h ALA 87 N 1.13 0.49 -0.28 3.45 0.00 -0.99 -0.93 119.26 122.14 1ngk h ALA 87 Ca 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ngk h ALA 87 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ngk h ALA 87 CO -0.02 0.04 0.13 2.35 0.00 0.00 0.00 179.25 181.75 1ngk h TRP 88 N 0.48 0.23 -0.52 0.00 7.01 -0.86 -2.17 115.95 120.13 1ngk h TRP 88 Ca 0.13 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.07 1ngk h TRP 88 Cb 0.09 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 1ngk h TRP 88 CO -0.02 0.13 0.03 -0.07 -2.79 0.00 0.00 178.44 175.71 1ngk h LEU 89 N 0.27 0.81 -0.10 0.65 3.38 -0.91 -0.07 115.31 119.34 1ngk h LEU 89 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ngk h LEU 89 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ngk h LEU 89 CO -0.09 0.86 0.07 0.03 0.09 0.00 0.00 178.44 179.40 1ngk h ARG 90 N 0.79 0.13 -0.55 1.13 3.08 -0.97 0.99 114.38 118.99 1ngk h ARG 90 Ca 0.16 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1ngk h ARG 90 Cb 0.44 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1ngk h ARG 90 CO 0.02 0.09 0.08 0.00 -1.07 0.00 0.00 179.97 179.09 1ngk h MET 92 N 0.83 0.81 -0.67 0.00 1.85 -0.78 -1.69 114.93 115.28 1ngk h MET 92 Ca 0.17 -0.46 -0.07 0.00 -0.61 0.00 0.00 59.70 58.73 1ngk h MET 92 Cb 0.38 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 1ngk h MET 92 CO 0.01 1.10 0.15 0.45 -0.40 0.00 0.00 176.91 178.21 1ngk h HIS 93 N 0.64 1.14 -0.32 1.39 -0.00 -0.49 -0.47 115.15 117.03 1ngk h HIS 93 Ca 0.04 -0.14 0.02 0.00 -0.00 0.00 0.00 60.37 60.29 1ngk h HIS 93 Cb 1.05 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1ngk h HIS 93 CO 0.06 0.94 0.16 1.15 -0.00 0.00 0.00 177.93 180.24 1ngk h THR 94 N 1.00 0.99 -0.35 2.45 2.02 -1.11 -0.80 112.91 117.12 1ngk h THR 94 Ca 0.21 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1ngk h THR 94 Cb 0.38 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1ngk h THR 94 CO 0.00 0.06 0.18 0.00 0.37 0.00 0.00 175.52 176.14 1ngk h ALA 95 N 1.17 0.45 -0.47 6.16 0.00 -0.94 -2.73 119.26 122.90 1ngk h ALA 95 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ngk h ALA 95 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ngk h ALA 95 CO -0.09 -0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.38 1ngk h VAL 96 N 0.44 1.25 0.00 0.00 2.07 -0.94 -2.28 116.25 116.79 1ngk h VAL 96 Ca 0.12 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1ngk h VAL 96 Cb 0.08 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ngk h VAL 96 CO -0.02 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1ngk h ALA 97 N 1.21 1.00 0.00 1.67 0.00 -0.85 -1.65 119.26 120.63 1ngk h ALA 97 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ngk h ALA 97 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ngk h ALA 97 CO 0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1ngk n SER 98 N -2.55 0.00 -4.68 0.00 3.41 -0.86 -4.75 113.62 104.19 1ngk n SER 98 Ca -0.00 -0.25 -0.37 0.00 -0.26 0.00 0.00 58.87 57.99 1ngk n SER 98 Cb 0.16 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.47 5.32 0.77 -1.33 -1.09 -0.62 -5.08 121.20 116.70 1ngk s ILE 99 Ca 0.29 0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.98 1ngk s ILE 99 Cb 0.19 -3.57 0.06 0.00 -1.58 0.00 0.00 42.46 37.56 1ngk s ILE 99 CO 0.41 0.34 1.10 1.51 -1.23 0.00 0.00 174.94 177.07 1ngk s ASP 100 N 0.86 4.41 0.49 3.58 3.84 -1.26 -4.82 116.67 123.77 1ngk s ASP 100 Ca 0.12 1.87 0.26 0.00 -0.00 0.00 0.00 52.55 54.80 1ngk s ASP 100 Cb -0.13 -2.53 1.25 0.00 -1.38 0.00 0.00 42.92 40.13 1ngk s ASP 100 CO 0.04 -2.10 1.98 0.77 -0.00 0.00 0.00 175.17 175.87 1ngk h SER 101 N -1.09 0.00 0.22 2.11 4.64 -1.98 -1.76 113.55 115.69 1ngk h SER 101 Ca -0.44 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.72 1ngk h SER 101 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1ngk h SER 101 CO 0.51 0.17 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.68 1ngk h GLU 102 N 0.00 0.40 0.03 4.77 5.08 -1.98 -2.77 114.58 120.11 1ngk h GLU 102 Ca -0.00 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1ngk h GLU 102 Cb 0.48 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ngk h GLU 102 CO 0.02 0.90 -0.29 1.15 -1.00 0.00 0.00 179.01 179.79 1ngk h THR 103 N 0.29 1.63 -3.55 1.13 2.02 -1.85 -3.41 112.91 109.17 1ngk h THR 103 Ca -0.01 -2.23 -0.65 0.00 0.77 0.00 0.00 66.41 64.29 1ngk h THR 103 Cb 1.17 3.10 -0.40 0.00 -1.74 0.00 0.00 68.15 70.27 1ngk h THR 103 CO 0.11 0.60 -0.69 -0.22 0.37 0.00 0.00 175.52 175.69 1ngk s LEU 104 N -8.26 4.49 1.08 2.58 2.96 -0.69 -4.47 118.68 116.36 1ngk s LEU 104 Ca -0.16 -2.47 -0.13 0.00 -0.22 0.00 0.00 54.13 51.15 1ngk s LEU 104 Cb -0.01 -1.60 0.23 0.00 0.50 0.00 0.00 46.19 45.32 1ngk s LEU 104 CO 0.74 -0.32 1.07 1.51 -1.32 0.00 0.00 176.35 178.03 1ngk s ASP 105 N 0.47 1.86 0.38 3.68 1.47 -1.05 -4.21 116.67 119.27 1ngk s ASP 105 Ca 0.13 1.28 0.06 0.00 1.18 0.00 0.00 52.55 55.21 1ngk s ASP 105 Cb -0.22 -2.00 0.79 0.00 -0.34 0.00 0.00 42.92 41.15 1ngk s ASP 105 CO -0.05 -3.62 2.00 0.44 0.68 0.00 0.00 175.17 174.61 1ngk h ASP 106 N -2.23 0.59 -0.08 2.11 3.32 -1.99 -0.91 116.42 117.24 1ngk h ASP 106 Ca -0.58 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.37 1ngk h ASP 106 Cb 1.34 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1ngk h ASP 106 CO 0.55 0.40 -0.34 -0.08 -1.72 0.00 0.00 179.24 178.05 1ngk h GLU 107 N 0.68 0.37 -0.15 3.56 4.81 -1.99 -2.35 114.58 119.51 1ngk h GLU 107 Ca 0.25 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1ngk h GLU 107 Cb 0.14 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1ngk h GLU 107 CO -0.07 0.93 -0.42 0.45 -0.73 0.00 0.00 179.01 179.16 1ngk h HIS 108 N -0.10 0.42 0.25 0.92 3.86 -1.85 -1.71 115.15 116.94 1ngk h HIS 108 Ca -0.02 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1ngk h HIS 108 Cb 0.98 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1ngk h HIS 108 CO 0.12 0.72 -0.12 -0.09 0.86 0.00 0.00 177.93 179.43 1ngk h ARG 109 N 0.29 -0.32 -0.60 2.45 2.43 -1.19 0.13 114.38 117.58 1ngk h ARG 109 Ca 0.02 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ngk h ARG 109 Cb 0.87 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1ngk h ARG 109 CO 0.07 -0.17 0.37 -0.09 -1.51 0.00 0.00 179.97 178.64 1ngk h ARG 110 N -0.39 0.80 -0.38 0.20 2.43 -1.37 0.11 114.38 115.78 1ngk h ARG 110 Ca -0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1ngk h ARG 110 Cb 0.30 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1ngk h ARG 110 CO 0.06 0.56 0.24 1.49 -1.51 0.00 0.00 179.97 180.81 1ngk h GLU 111 N 0.81 0.50 -0.12 0.20 4.81 -1.21 0.31 114.58 119.88 1ngk h GLU 111 Ca 0.22 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1ngk h GLU 111 Cb -0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1ngk h GLU 111 CO -0.04 0.34 0.07 1.25 -0.73 0.00 0.00 179.01 179.90 1ngk h LEU 112 N 0.51 0.15 -0.65 1.64 5.85 -0.70 -2.26 115.31 119.84 1ngk h LEU 112 Ca 0.14 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1ngk h LEU 112 Cb -0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1ngk h LEU 112 CO -0.03 0.17 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.03 1ngk h LEU 113 N 0.11 0.92 -0.53 2.25 3.38 -0.57 -1.49 115.31 119.38 1ngk h LEU 113 Ca 0.04 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1ngk h LEU 113 Cb 0.05 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1ngk h LEU 113 CO -0.01 1.06 0.24 0.44 0.09 0.00 0.00 178.44 180.26 1ngk h ASP 114 N 0.81 0.31 0.07 -0.43 3.45 -0.32 -1.45 116.42 118.86 1ngk h ASP 114 Ca 0.13 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1ngk h ASP 114 Cb 0.67 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1ngk h ASP 114 CO 0.05 0.21 -0.04 0.22 -1.57 0.00 0.00 179.24 178.11 1ngk h TYR 115 N 0.46 -0.09 -0.75 4.55 5.03 -1.11 -1.74 116.97 123.31 1ngk h TYR 115 Ca 0.25 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.55 1ngk h TYR 115 Cb 0.21 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 1ngk h TYR 115 CO -0.13 0.04 0.46 -0.07 -1.32 0.00 0.00 178.16 177.14 1ngk h LEU 116 N -0.20 0.89 0.06 2.82 3.38 -1.09 0.68 115.31 121.85 1ngk h LEU 116 Ca -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ngk h LEU 116 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ngk h LEU 116 CO 0.02 0.68 -0.03 -0.33 0.09 0.00 0.00 178.44 178.87 1ngk h GLU 117 N 1.03 -0.07 -0.50 1.13 3.07 -1.19 -1.09 114.58 116.96 1ngk h GLU 117 Ca 0.27 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1ngk h GLU 117 Cb -0.06 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1ngk h GLU 117 CO -0.05 0.12 0.32 1.98 -1.40 0.00 0.00 179.01 179.98 1ngk h MET 118 N -0.26 0.66 -0.32 2.33 1.85 -0.93 -1.83 114.93 116.43 1ngk h MET 118 Ca -0.01 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 58.98 1ngk h MET 118 Cb 0.23 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1ngk h MET 118 CO 0.01 0.45 -0.01 0.00 -0.40 0.00 0.00 176.91 176.97 1ngk h ALA 119 N 1.17 0.43 -0.62 0.39 0.00 -0.86 -1.79 119.26 117.99 1ngk h ALA 119 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ngk h ALA 119 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ngk h ALA 119 CO -0.04 0.19 0.27 0.00 0.00 0.00 0.00 179.25 179.67 1ngk h ALA 120 N 0.84 0.80 -0.77 0.00 0.00 -1.13 -2.25 119.26 116.75 1ngk h ALA 120 Ca 0.09 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ngk h ALA 120 Cb 0.45 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1ngk h ALA 120 CO 0.02 0.39 0.49 0.45 0.00 0.00 0.00 179.25 180.59 1ngk h HIS 121 N 0.85 0.91 0.00 0.00 3.86 -1.28 -2.48 115.15 117.01 1ngk h HIS 121 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1ngk h HIS 121 Cb 0.16 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1ngk h HIS 121 CO 0.01 0.51 0.00 0.43 0.86 0.00 0.00 177.93 179.73 1ngk n SER 122 N -4.63 0.36 -0.34 2.45 7.64 -0.68 -2.75 113.62 115.68 1ngk n SER 122 Ca 0.09 0.59 0.11 0.00 1.01 0.00 0.00 58.87 60.67 1ngk n SER 122 Cb 0.11 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 1ngk n SER 122 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngk n LEU 123 N -1.90 1.69 -4.68 -3.43 4.77 -0.94 -4.93 117.00 107.59 1ngk n LEU 123 Ca 0.03 -0.66 -0.45 0.00 -0.03 0.00 0.00 56.01 54.89 1ngk n LEU 123 Cb 0.20 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1ngk n LEU 123 CO 0.17 0.33 1.22 0.52 -1.33 0.00 0.00 177.39 178.30 1ngk n VAL 124 N -0.49 0.07 -1.62 4.08 0.31 -1.11 -4.85 118.33 114.72 1ngk n VAL 124 Ca 0.08 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.40 1ngk n VAL 124 Cb 0.42 -1.63 0.02 0.00 -0.91 0.00 0.00 33.84 31.74 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 3.43 0.33 -3.66 4.52 0.23 -0.02 -5.03 115.26 115.06 1ngk n ASN 125 Ca 0.16 -1.91 -0.14 0.00 -0.53 0.00 0.00 54.58 52.16 1ngk n ASN 125 Cb 0.30 -0.18 -0.08 0.00 -2.08 0.00 0.00 39.78 37.75 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 -1.00 -0.65 0.38 0.53 0.15 -1.05 -4.75 113.70 107.30 1ngk s SER 126 Ca 0.04 1.24 0.26 0.00 0.70 0.00 0.00 55.95 58.19 1ngk s SER 126 Cb 0.03 1.26 0.79 0.00 -1.71 0.00 0.00 66.02 66.39 1ngk s SER 126 CO 0.00 -0.21 1.75 1.55 1.20 0.00 0.00 173.24 177.53 1ngk h PRO 127 N 5.20 0.00 0.00 5.44 0.13 -1.98 -3.35 132.00 137.43 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ngk h PRO 127 CO 0.12 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 179.86