#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlk s ILE 3 N 0.00 4.52 0.40 0.00 1.01 -1.26 -0.76 121.20 125.12 1nlk s ILE 3 Ca 0.00 1.83 0.05 0.00 0.00 0.00 0.00 60.65 62.53 1nlk s ILE 3 Cb 0.00 -4.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 1nlk s ILE 3 CO 0.00 -0.19 0.03 -1.61 0.00 0.00 0.00 174.94 173.17 1nlk s GLU 4 N 3.35 1.91 -0.01 2.79 2.02 0.50 -4.91 118.70 124.35 1nlk s GLU 4 Ca 0.48 -2.11 0.06 0.00 0.02 0.00 0.00 54.97 53.41 1nlk s GLU 4 Cb -0.17 -1.31 -0.01 0.00 0.10 0.00 0.00 34.13 32.73 1nlk s GLU 4 CO 0.10 -0.18 -0.18 1.03 0.02 0.00 0.00 175.26 176.05 1nlk s ARG 5 N -3.79 1.49 0.05 1.61 0.52 -1.26 -1.46 118.95 116.12 1nlk s ARG 5 Ca 0.29 -0.66 -0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1nlk s ARG 5 Cb 0.08 -1.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 1nlk s ARG 5 CO 0.14 0.39 -0.04 -0.08 0.02 0.00 0.00 175.30 175.74 1nlk s THR 6 N -0.42 0.29 -0.02 0.02 -1.32 0.02 -4.78 115.64 109.43 1nlk s THR 6 Ca 0.07 -1.70 -0.15 0.00 -1.21 0.00 0.00 61.69 58.70 1nlk s THR 6 Cb -0.07 -1.36 -0.05 0.00 -1.51 0.00 0.00 72.50 69.50 1nlk s THR 6 CO -0.01 -0.90 0.42 -0.22 -2.21 0.00 0.00 174.62 171.70 1nlk s LEU 7 N -2.72 4.44 -0.02 9.08 2.96 -1.26 -0.73 118.68 130.44 1nlk s LEU 7 Ca 0.04 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1nlk s LEU 7 Cb 0.05 -2.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 1nlk s LEU 7 CO -0.08 0.28 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.57 1nlk s SER 8 N -0.81 1.36 -0.06 3.68 0.15 -0.10 -1.85 113.70 116.07 1nlk s SER 8 Ca 0.24 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1nlk s SER 8 Cb -0.16 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1nlk s SER 8 CO 0.13 0.11 -0.04 -0.63 1.20 0.00 0.00 173.24 174.00 1nlk s ILE 9 N -0.02 0.61 -0.38 6.45 1.01 -0.61 -0.52 121.20 127.75 1nlk s ILE 9 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 1nlk s ILE 9 Cb -0.07 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.75 1nlk s ILE 9 CO 0.00 0.26 0.71 -0.63 0.00 0.00 0.00 174.94 175.28 1nlk s ILE 10 N 1.26 4.80 0.85 2.92 1.01 -0.14 -0.90 121.20 131.00 1nlk s ILE 10 Ca -0.05 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.12 1nlk s ILE 10 Cb -0.14 -4.16 0.10 0.00 0.01 0.00 0.00 42.46 38.27 1nlk s ILE 10 CO -0.02 -0.43 1.10 -0.54 0.00 0.00 0.00 174.94 175.05 1nlk s LYS 11 N 2.93 1.62 0.33 2.79 1.02 0.46 -1.90 119.74 127.00 1nlk s LYS 11 Ca 0.27 1.08 0.12 0.00 0.02 0.00 0.00 55.97 57.46 1nlk s LYS 11 Cb -0.14 -1.83 1.03 0.00 -0.52 0.00 0.00 37.83 36.37 1nlk s LYS 11 CO 0.17 -2.06 1.62 -1.35 -0.92 0.00 0.00 175.35 172.81 1nlk h PRO 12 N -1.43 0.16 0.00 -1.68 0.11 -1.85 0.21 132.00 127.52 1nlk h PRO 12 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1nlk h PRO 12 Cb 1.26 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1nlk h PRO 12 CO 0.51 0.11 -0.10 0.38 -0.21 0.00 0.00 178.00 178.69 1nlk h ASP 13 N 0.17 0.00 -0.47 -2.05 2.03 -1.90 -1.93 116.42 112.27 1nlk h ASP 13 Ca 0.71 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.88 1nlk h ASP 13 Cb 1.64 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.13 1nlk h ASP 13 CO -0.71 0.10 -0.20 1.23 -1.03 0.00 0.00 179.24 178.64 1nlk h GLY 14 N 0.54 1.06 1.04 7.15 0.00 -0.81 -1.53 103.07 110.51 1nlk h GLY 14 Ca -0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 47.33 46.22 1nlk h GLY 14 CO 0.01 0.84 -0.65 1.41 0.00 0.00 0.00 176.54 178.14 1nlk h LEU 15 N 0.85 0.80 -1.80 3.11 4.07 -1.48 -2.35 115.31 118.50 1nlk h LEU 15 Ca 0.11 -0.64 -0.03 0.00 0.08 0.00 0.00 57.88 57.41 1nlk h LEU 15 Cb 0.77 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 1nlk h LEU 15 CO 0.06 1.31 -0.15 -0.33 -1.08 0.00 0.00 178.44 178.25 1nlk h GLU 16 N 0.35 0.00 -0.01 1.13 5.08 -1.30 -0.08 114.58 119.75 1nlk h GLU 16 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nlk h GLU 16 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1nlk h GLU 16 CO 0.14 0.15 -0.06 1.63 -1.00 0.00 0.00 179.01 179.86 1nlk n LYS 17 N -4.03 1.22 -2.88 2.33 5.02 -0.58 -4.94 118.16 114.30 1nlk n LYS 17 Ca -0.02 -0.56 -0.22 0.00 -2.02 0.00 0.00 58.31 55.49 1nlk n LYS 17 Cb 0.23 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1nlk n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nlk n GLY 18 N 1.19 -0.48 1.12 0.72 0.00 -0.04 -4.92 105.19 102.77 1nlk n GLY 18 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 1nlk n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nlk n VAL 19 N -4.40 2.53 -0.02 1.61 0.24 -0.90 -4.72 118.33 112.67 1nlk n VAL 19 Ca -0.14 -2.76 -0.09 0.00 -2.04 0.00 0.00 64.34 59.31 1nlk n VAL 19 Cb 0.63 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.65 1nlk n VAL 19 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1nlk h ILE 20 N 1.02 0.78 -0.26 1.34 2.04 -1.91 -1.75 117.51 118.77 1nlk h ILE 20 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1nlk h ILE 20 Cb 1.61 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1nlk h ILE 20 CO 0.36 0.00 0.16 1.23 0.00 0.00 0.00 178.15 179.90 1nlk h GLY 21 N -0.05 0.38 0.87 5.37 0.00 -1.96 -1.67 103.07 106.01 1nlk h GLY 21 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1nlk h GLY 21 CO -0.18 0.15 0.55 0.50 0.00 0.00 0.00 176.54 177.56 1nlk h LYS 22 N 0.33 1.03 -0.18 4.80 1.57 -1.85 -0.00 116.57 122.27 1nlk h LYS 22 Ca 0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1nlk h LYS 22 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1nlk h LYS 22 CO -0.02 0.68 0.02 0.82 -0.57 0.00 0.00 179.45 180.38 1nlk h ILE 23 N 1.06 1.23 -0.64 1.86 2.04 -1.15 -2.37 117.51 119.54 1nlk h ILE 23 Ca 0.34 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1nlk h ILE 23 Cb 0.01 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1nlk h ILE 23 CO -0.12 0.23 0.40 0.40 0.00 0.00 0.00 178.15 179.07 1nlk h ILE 24 N 0.08 1.10 -0.95 -0.67 2.04 -0.91 -2.05 117.51 116.15 1nlk h ILE 24 Ca 0.05 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1nlk h ILE 24 Cb 0.33 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1nlk h ILE 24 CO 0.01 0.15 0.61 0.28 0.00 0.00 0.00 178.15 179.19 1nlk h SER 25 N 0.80 0.95 -0.67 1.72 0.02 -0.86 -1.63 113.55 113.88 1nlk h SER 25 Ca 0.25 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.33 1nlk h SER 25 Cb -0.01 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.26 1nlk h SER 25 CO -0.09 0.59 0.26 0.03 -1.14 0.00 0.00 176.83 176.48 1nlk h ARG 26 N 1.07 0.42 0.12 3.45 2.47 -0.83 0.15 114.38 121.22 1nlk h ARG 26 Ca 0.41 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.10 1nlk h ARG 26 Cb 0.23 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1nlk h ARG 26 CO -0.17 0.28 -0.06 0.74 0.56 0.00 0.00 179.97 181.32 1nlk h PHE 27 N 0.43 -0.14 -0.51 3.04 0.04 -1.25 -2.97 116.94 115.56 1nlk h PHE 27 Ca 0.35 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.20 1nlk h PHE 27 Cb 0.48 0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.61 1nlk h PHE 27 CO -0.17 0.24 0.15 0.93 -0.60 0.00 0.00 178.31 178.86 1nlk h GLU 28 N -0.56 0.29 0.00 1.51 5.08 -0.85 0.63 114.58 120.68 1nlk h GLU 28 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1nlk h GLU 28 Cb 0.45 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nlk h GLU 28 CO 0.03 0.19 -0.08 1.05 -1.00 0.00 0.00 179.01 179.20 1nlk h GLU 29 N 0.30 0.00 -0.02 2.33 4.11 -0.79 -1.25 114.58 119.26 1nlk h GLU 29 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1nlk h GLU 29 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1nlk h GLU 29 CO -0.29 0.08 -0.02 1.63 0.07 0.00 0.00 179.01 180.48 1nlk n LYS 30 N -3.57 1.81 -0.50 1.06 4.01 -0.04 -4.93 118.16 115.99 1nlk n LYS 30 Ca -0.02 -1.21 0.00 0.00 -0.51 0.00 0.00 58.31 56.57 1nlk n LYS 30 Cb 0.20 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1nlk n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nlk n GLY 31 N 1.23 0.75 3.49 0.72 0.00 -0.47 -5.02 105.19 105.89 1nlk n GLY 31 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1nlk n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nlk s LEU 32 N 0.00 4.47 -0.27 0.99 1.43 0.01 -4.63 118.68 120.68 1nlk s LEU 32 Ca 0.00 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 1nlk s LEU 32 Cb 0.00 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1nlk s LEU 32 CO 0.00 -1.05 0.88 -0.75 0.23 0.00 0.00 176.35 175.66 1nlk s LYS 33 N 3.32 4.10 -0.41 1.70 2.20 -0.07 -3.21 119.74 127.38 1nlk s LYS 33 Ca 0.24 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.46 1nlk s LYS 33 Cb -0.15 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1nlk s LYS 33 CO 0.17 -0.64 1.47 -2.14 -0.36 0.00 0.00 175.35 173.84 1nlk s PRO 34 N 3.05 3.52 0.00 4.03 0.02 -1.26 -0.33 135.00 144.03 1nlk s PRO 34 Ca 0.37 0.98 0.20 0.00 0.02 0.00 0.00 61.00 62.57 1nlk s PRO 34 Cb -0.14 -4.05 0.27 0.00 0.02 0.00 0.00 34.50 30.59 1nlk s PRO 34 CO 0.10 -1.63 1.23 1.33 -0.33 0.00 0.00 177.00 177.70 1nlk n VAL 35 N 7.12 0.27 -3.63 3.83 0.24 0.21 -4.91 118.33 121.45 1nlk n VAL 35 Ca 0.17 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 61.73 1nlk n VAL 35 Cb 0.48 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 1nlk n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nlk s ALA 36 N -1.51 -1.84 -0.14 2.33 0.00 -1.22 -0.04 121.76 119.34 1nlk s ALA 36 Ca 0.29 2.18 -0.09 0.00 0.00 0.00 0.00 51.96 54.33 1nlk s ALA 36 Cb 0.18 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 22.04 1nlk s ALA 36 CO 0.26 -0.35 0.34 0.42 0.00 0.00 0.00 175.76 176.44 1nlk s ILE 37 N 0.87 -0.02 -0.28 0.00 1.01 -1.26 -1.38 121.20 120.15 1nlk s ILE 37 Ca -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1nlk s ILE 37 Cb -0.05 -0.50 0.14 0.00 0.01 0.00 0.00 42.46 42.06 1nlk s ILE 37 CO -0.08 0.03 0.59 -0.60 0.00 0.00 0.00 174.94 174.88 1nlk s ARG 38 N 0.82 0.53 -0.01 2.79 3.52 0.43 -4.99 118.95 122.04 1nlk s ARG 38 Ca -0.05 1.28 -0.30 0.00 -0.13 0.00 0.00 55.73 56.52 1nlk s ARG 38 Cb -0.06 0.68 -0.03 0.00 -1.56 0.00 0.00 34.95 33.98 1nlk s ARG 38 CO -0.06 -0.30 1.00 -1.17 -0.81 0.00 0.00 175.30 173.96 1nlk s LEU 39 N 2.84 4.35 -0.01 -0.88 0.20 -1.26 -0.73 118.68 123.19 1nlk s LEU 39 Ca 0.00 1.67 -0.14 0.00 0.69 0.00 0.00 54.13 56.35 1nlk s LEU 39 Cb -0.13 -3.57 0.02 0.00 -0.43 0.00 0.00 46.19 42.09 1nlk s LEU 39 CO -0.18 -0.31 0.30 -1.58 -0.29 0.00 0.00 176.35 174.29 1nlk s GLN 40 N 1.18 0.66 -0.38 1.98 0.74 -0.09 -4.97 119.66 118.79 1nlk s GLN 40 Ca 0.52 -0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.61 1nlk s GLN 40 Cb -0.21 0.29 0.03 0.00 1.10 0.00 0.00 33.01 34.23 1nlk s GLN 40 CO 0.27 -0.18 0.21 -1.58 -0.55 0.00 0.00 175.29 173.45 1nlk s HIS 41 N -1.37 3.25 0.44 1.67 5.65 -1.26 -0.19 115.29 123.49 1nlk s HIS 41 Ca -0.13 -1.06 -0.25 0.00 0.25 0.00 0.00 55.06 53.87 1nlk s HIS 41 Cb -0.05 -2.48 -0.08 0.00 -1.18 0.00 0.00 32.58 28.79 1nlk s HIS 41 CO 0.04 -0.68 1.29 -0.51 -0.65 0.00 0.00 174.74 174.23 1nlk s LEU 42 N 1.53 4.10 0.43 8.88 1.02 -1.26 -5.02 118.68 128.36 1nlk s LEU 42 Ca 0.02 2.61 -0.01 0.00 0.02 0.00 0.00 54.13 56.77 1nlk s LEU 42 Cb -0.20 -4.04 -0.02 0.00 0.02 0.00 0.00 46.19 41.96 1nlk s LEU 42 CO 0.06 -1.01 0.66 -0.94 0.02 0.00 0.00 176.35 175.14 1nlk s SER 43 N -0.90 6.03 0.25 2.29 1.04 -1.26 -4.70 113.70 116.45 1nlk s SER 43 Ca 0.61 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 57.45 1nlk s SER 43 Cb -0.37 -1.80 0.35 0.00 0.10 0.00 0.00 66.02 64.30 1nlk s SER 43 CO 0.46 -0.57 1.87 -0.61 0.98 0.00 0.00 173.24 175.37 1nlk h GLN 44 N 0.46 1.05 -0.63 4.02 4.15 -1.96 -1.49 115.11 120.72 1nlk h GLN 44 Ca -0.47 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 58.91 1nlk h GLN 44 Cb 1.24 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 1nlk h GLN 44 CO 0.59 0.70 0.39 0.00 -1.93 0.00 0.00 178.83 178.58 1nlk h ALA 45 N 1.42 0.81 -0.13 3.38 0.00 -1.99 -0.90 119.26 121.84 1nlk h ALA 45 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1nlk h ALA 45 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nlk h ALA 45 CO -0.16 0.16 0.04 1.96 0.00 0.00 0.00 179.25 181.25 1nlk h GLN 46 N 0.78 0.21 -0.49 0.00 4.20 -1.74 -1.35 115.11 116.73 1nlk h GLN 46 Ca 0.25 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1nlk h GLN 46 Cb -0.01 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1nlk h GLN 46 CO -0.09 0.34 0.21 0.00 -0.67 0.00 0.00 178.83 178.62 1nlk h ALA 47 N 0.86 0.63 -0.35 3.87 0.00 -1.12 -0.49 119.26 122.66 1nlk h ALA 47 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nlk h ALA 47 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nlk h ALA 47 CO -0.00 0.22 0.17 0.93 0.00 0.00 0.00 179.25 180.57 1nlk h GLU 48 N 0.64 0.51 -0.61 0.00 5.08 -1.14 0.20 114.58 119.26 1nlk h GLU 48 Ca 0.16 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1nlk h GLU 48 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1nlk h GLU 48 CO -0.02 0.45 0.10 0.78 -1.00 0.00 0.00 179.01 179.33 1nlk h GLY 49 N 0.43 1.07 1.01 -3.84 0.00 -1.09 0.15 103.07 100.80 1nlk h GLY 49 Ca 0.12 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1nlk h GLY 49 CO -0.02 0.64 -0.16 -2.75 0.00 0.00 0.00 176.54 174.25 1nlk h PHE 50 N 0.93 0.93 -0.57 5.60 3.57 -0.83 -3.12 116.94 123.45 1nlk h PHE 50 Ca 0.19 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1nlk h PHE 50 Cb 0.41 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1nlk h PHE 50 CO 0.03 0.97 0.02 0.66 -2.23 0.00 0.00 178.31 177.76 1nlk n TYR 51 N -4.27 2.05 -0.34 0.41 4.01 0.04 -4.65 117.16 114.41 1nlk n TYR 51 Ca -0.01 -0.74 0.27 0.00 -0.16 0.00 0.00 57.90 57.26 1nlk n TYR 51 Cb 0.40 -0.52 0.56 0.00 -0.31 0.00 0.00 39.34 39.48 1nlk n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nlk h ALA 52 N 3.83 2.43 0.00 -0.72 0.00 -0.64 0.80 119.26 124.97 1nlk h ALA 52 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nlk h ALA 52 Cb 1.96 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1nlk h ALA 52 CO 0.50 -0.86 0.14 0.28 0.00 0.00 0.00 179.25 179.30 1nlk h VAL 53 N 0.29 0.00 -0.30 0.00 2.07 -1.86 -0.33 116.25 116.12 1nlk h VAL 53 Ca 0.62 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.14 1nlk h VAL 53 Cb 1.77 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1nlk h VAL 53 CO -0.27 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.73 1nlk n HIS 54 N -2.27 0.70 -0.20 1.57 -0.00 0.28 -4.68 115.22 110.62 1nlk n HIS 54 Ca -0.01 -0.69 0.03 0.00 -0.00 0.00 0.00 57.72 57.04 1nlk n HIS 54 Cb 0.17 -0.17 0.28 0.00 -0.00 0.00 0.00 29.99 30.27 1nlk n HIS 54 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1nlk h LYS 55 N 1.88 0.90 0.00 -0.41 2.10 -1.18 -0.91 116.57 118.95 1nlk h LYS 55 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1nlk h LYS 55 Cb 1.09 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1nlk h LYS 55 CO 0.11 0.59 0.00 0.00 -2.00 0.00 0.00 179.45 178.16 1nlk h ALA 56 N 1.56 1.00 -2.50 0.07 0.00 -1.83 -3.45 119.26 114.10 1nlk h ALA 56 Ca 0.29 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.71 1nlk h ALA 56 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nlk h ALA 56 CO -0.08 0.00 0.42 1.03 0.00 0.00 0.00 179.25 180.62 1nlk s ARG 57 N -3.33 4.06 0.08 0.00 1.81 -0.35 -5.00 118.95 116.23 1nlk s ARG 57 Ca 0.06 1.52 0.18 0.00 -1.72 0.00 0.00 55.73 55.77 1nlk s ARG 57 Cb 0.09 -2.46 0.76 0.00 -0.45 0.00 0.00 34.95 32.89 1nlk s ARG 57 CO 0.55 -0.23 1.57 -0.35 -0.68 0.00 0.00 175.30 176.15 1nlk n PRO 58 N -0.25 0.06 0.00 3.54 -0.04 -1.26 -3.28 135.00 133.77 1nlk n PRO 58 Ca 0.06 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 1nlk n PRO 58 Cb 0.50 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1nlk n PRO 58 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1nlk n PHE 59 N -1.72 0.00 -0.30 0.54 1.16 -1.26 -4.70 117.46 111.18 1nlk n PHE 59 Ca 0.03 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.69 1nlk n PHE 59 Cb 0.20 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.26 1nlk n PHE 59 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nlk h PHE 60 N 1.17 -0.19 -0.88 2.97 3.57 -1.78 0.53 116.94 122.33 1nlk h PHE 60 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1nlk h PHE 60 Cb 0.41 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1nlk h PHE 60 CO 0.00 -0.35 0.56 0.87 -2.23 0.00 0.00 178.31 177.16 1nlk h LYS 61 N 0.04 1.17 -0.09 1.11 6.56 -1.84 -0.37 116.57 123.14 1nlk h LYS 61 Ca 0.48 -0.08 -0.22 0.00 -1.06 0.00 0.00 60.65 59.76 1nlk h LYS 61 Cb 0.86 -0.26 0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1nlk h LYS 61 CO -0.83 0.79 -0.83 -0.44 -2.06 0.00 0.00 179.45 176.08 1nlk h ASP 62 N 1.20 0.76 -0.58 0.86 3.32 -1.32 -2.07 116.42 118.58 1nlk h ASP 62 Ca 0.32 -0.53 0.05 0.00 0.02 0.00 0.00 57.03 56.89 1nlk h ASP 62 Cb -0.10 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 1nlk h ASP 62 CO -0.07 1.31 0.31 0.25 -1.72 0.00 0.00 179.24 179.33 1nlk h LEU 63 N 0.41 0.44 -0.29 1.55 5.85 -0.49 0.78 115.31 123.56 1nlk h LEU 63 Ca -0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1nlk h LEU 63 Cb 1.44 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1nlk h LEU 63 CO 0.16 0.30 0.08 0.58 -0.34 0.00 0.00 178.44 179.21 1nlk h VAL 64 N 0.58 1.21 -0.52 1.05 2.07 -1.02 -0.56 116.25 119.06 1nlk h VAL 64 Ca 0.26 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1nlk h VAL 64 Cb 0.17 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1nlk h VAL 64 CO -0.18 0.23 0.26 1.56 0.02 0.00 0.00 177.57 179.46 1nlk h GLN 65 N 0.30 0.74 -0.45 1.57 1.08 -0.80 -1.84 115.11 115.72 1nlk h GLN 65 Ca 0.09 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1nlk h GLN 65 Cb 0.27 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1nlk h GLN 65 CO -0.00 0.60 0.15 0.35 -0.95 0.00 0.00 178.83 178.98 1nlk h PHE 66 N 0.70 0.71 0.00 2.96 3.57 -0.78 0.03 116.94 124.13 1nlk h PHE 66 Ca 0.18 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1nlk h PHE 66 Cb 0.10 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1nlk h PHE 66 CO -0.01 0.63 0.00 0.52 -2.23 0.00 0.00 178.31 177.22 1nlk h MET 67 N 0.58 0.00 -0.17 1.11 2.86 -0.74 -1.95 114.93 116.62 1nlk h MET 67 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1nlk h MET 67 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1nlk h MET 67 CO -0.01 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.40 1nlk n ILE 68 N -2.92 0.68 0.20 -1.22 -5.35 -0.72 -4.58 119.36 105.45 1nlk n ILE 68 Ca -0.02 -0.84 0.07 0.00 -0.27 0.00 0.00 62.75 61.69 1nlk n ILE 68 Cb 0.14 0.71 0.41 0.00 -1.74 0.00 0.00 39.64 39.16 1nlk n ILE 68 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1nlk h SER 69 N 1.42 0.00 -5.09 7.28 4.64 -0.18 -3.47 113.55 118.16 1nlk h SER 69 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1nlk h SER 69 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1nlk h SER 69 CO 0.00 0.32 0.19 -0.83 -0.87 0.00 0.00 176.83 175.64 1nlk s GLY 70 N -4.32 0.51 0.65 -0.77 0.00 -1.26 -5.11 107.32 97.03 1nlk s GLY 70 Ca -0.01 -0.84 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 1nlk s GLY 70 CO 0.67 -0.41 1.08 2.56 0.00 0.00 0.00 173.10 177.00 1nlk s PRO 71 N -2.57 2.97 0.35 2.90 0.04 -1.26 -4.57 135.00 132.86 1nlk s PRO 71 Ca 0.18 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.48 1nlk s PRO 71 Cb -0.04 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1nlk s PRO 71 CO 0.12 -1.09 0.03 0.14 0.04 0.00 0.00 177.00 176.24 1nlk s VAL 72 N -2.58 1.51 -0.26 -0.36 -7.23 0.74 -4.03 120.40 108.18 1nlk s VAL 72 Ca 0.63 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1nlk s VAL 72 Cb -0.17 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 33.96 1nlk s VAL 72 CO 0.44 -0.02 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.45 1nlk s VAL 73 N -3.07 2.62 0.02 1.32 1.01 -0.80 -0.91 120.40 120.60 1nlk s VAL 73 Ca 0.36 -1.34 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1nlk s VAL 73 Cb 0.09 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1nlk s VAL 73 CO 0.16 0.05 0.61 -0.76 0.00 0.00 0.00 175.10 175.16 1nlk s LEU 74 N 1.22 4.45 0.02 3.92 1.43 0.10 -0.96 118.68 128.86 1nlk s LEU 74 Ca -0.04 1.21 -0.08 0.00 -1.03 0.00 0.00 54.13 54.19 1nlk s LEU 74 Cb -0.18 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 1nlk s LEU 74 CO -0.04 0.14 0.15 -0.04 0.23 0.00 0.00 176.35 176.78 1nlk s MET 75 N -0.40 0.58 -0.17 1.70 -1.94 0.32 -0.43 119.30 118.96 1nlk s MET 75 Ca 0.31 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1nlk s MET 75 Cb -0.19 0.24 0.01 0.00 2.01 0.00 0.00 34.83 36.90 1nlk s MET 75 CO 0.18 -0.15 -0.17 0.08 -0.01 0.00 0.00 175.02 174.95 1nlk s VAL 76 N -2.05 2.40 -0.09 -6.03 1.01 -0.48 -0.93 120.40 114.24 1nlk s VAL 76 Ca -0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1nlk s VAL 76 Cb -0.04 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1nlk s VAL 76 CO -0.01 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 1nlk s LEU 77 N 1.14 4.21 -0.03 3.92 1.43 0.09 -0.62 118.68 128.82 1nlk s LEU 77 Ca 0.01 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1nlk s LEU 77 Cb -0.14 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1nlk s LEU 77 CO -0.07 0.37 -0.15 -0.70 0.23 0.00 0.00 176.35 176.03 1nlk s GLU 78 N -1.22 1.41 0.00 1.70 2.12 0.55 -0.80 118.70 122.46 1nlk s GLU 78 Ca 0.17 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1nlk s GLU 78 Cb -0.12 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 32.97 1nlk s GLU 78 CO 0.07 0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 1nlk n GLY 79 N 2.96 -0.10 3.70 -1.50 0.00 -0.53 -0.89 105.19 108.82 1nlk n GLY 79 Ca -0.16 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1nlk n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nlk s GLU 80 N -2.00 4.31 -1.50 1.61 2.02 -1.26 -0.37 118.70 121.51 1nlk s GLU 80 Ca 0.00 1.98 -0.12 0.00 0.02 0.00 0.00 54.97 56.85 1nlk s GLU 80 Cb 0.00 -3.45 0.07 0.00 0.10 0.00 0.00 34.13 30.85 1nlk s GLU 80 CO 0.00 -0.50 0.96 0.09 0.02 0.00 0.00 175.26 175.83 1nlk n ASN 81 N 4.80 -4.46 -0.28 -0.19 3.02 0.06 -4.85 115.26 113.36 1nlk n ASN 81 Ca 0.12 -0.77 0.01 0.00 -0.03 0.00 0.00 54.58 53.91 1nlk n ASN 81 Cb 0.44 -3.97 0.14 0.00 -0.61 0.00 0.00 39.78 35.78 1nlk n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nlk h ALA 82 N 0.96 1.08 -0.14 5.41 0.00 -1.76 -0.78 119.26 124.04 1nlk h ALA 82 Ca -0.58 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1nlk h ALA 82 Cb 1.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1nlk h ALA 82 CO 0.65 0.12 -0.08 0.28 0.00 0.00 0.00 179.25 180.22 1nlk h VAL 83 N 0.79 0.75 -0.12 0.00 2.07 -1.88 -0.26 116.25 117.60 1nlk h VAL 83 Ca 0.36 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.82 1nlk h VAL 83 Cb 0.26 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1nlk h VAL 83 CO -0.21 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 177.47 1nlk h LEU 84 N -0.07 0.36 -0.98 2.57 5.85 -1.85 -2.82 115.31 118.36 1nlk h LEU 84 Ca 0.08 -0.51 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1nlk h LEU 84 Cb 0.19 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1nlk h LEU 84 CO -0.18 0.80 0.61 0.00 -0.34 0.00 0.00 178.44 179.32 1nlk h ALA 85 N 0.57 1.49 -0.04 1.25 0.00 -1.04 -1.03 119.26 120.46 1nlk h ALA 85 Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nlk h ALA 85 Cb 0.71 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nlk h ALA 85 CO 0.04 0.18 0.02 -0.97 0.00 0.00 0.00 179.25 178.52 1nlk h ASN 86 N 0.95 0.05 -1.01 0.00 -0.00 -0.99 -2.04 115.58 112.54 1nlk h ASN 86 Ca 0.49 -0.10 0.05 0.00 -0.00 0.00 0.00 56.30 56.74 1nlk h ASN 86 Cb 0.52 -0.01 -0.06 0.00 -0.00 0.00 0.00 38.32 38.76 1nlk h ASN 86 CO -0.28 0.14 0.66 0.03 -0.00 0.00 0.00 177.43 177.98 1nlk h ARG 87 N -0.04 1.19 0.07 6.67 2.47 -1.06 -0.80 114.38 122.87 1nlk h ARG 87 Ca 0.01 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1nlk h ARG 87 Cb 0.10 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 1nlk h ARG 87 CO -0.00 0.79 -0.03 -0.44 0.56 0.00 0.00 179.97 180.84 1nlk h ASP 88 N 1.23 -0.08 0.23 7.04 3.32 -0.93 -1.94 116.42 125.29 1nlk h ASP 88 Ca 0.42 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 1nlk h ASP 88 Cb 0.08 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1nlk h ASP 88 CO -0.15 0.02 -0.31 -0.29 -1.72 0.00 0.00 179.24 176.80 1nlk h ILE 89 N -0.18 1.25 0.19 0.35 6.09 -1.07 -3.11 117.51 121.03 1nlk h ILE 89 Ca -0.01 -1.18 -0.01 0.00 -1.37 0.00 0.00 64.86 62.29 1nlk h ILE 89 Cb 0.15 1.54 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1nlk h ILE 89 CO 0.02 0.35 -0.09 0.24 -3.07 0.00 0.00 178.15 175.59 1nlk h MET 90 N 0.12 -0.25 0.00 2.19 2.86 -0.96 -0.26 114.93 118.63 1nlk h MET 90 Ca 0.02 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1nlk h MET 90 Cb 0.61 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1nlk h MET 90 CO 0.04 -0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1nlk n GLY 91 N -0.63 0.37 3.75 8.32 0.00 -0.75 -1.58 105.19 114.68 1nlk n GLY 91 Ca -0.09 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1nlk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nlk s ALA 92 N -1.22 2.67 0.23 4.61 0.00 -1.26 -4.92 121.76 121.87 1nlk s ALA 92 Ca 0.00 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 1nlk s ALA 92 Cb 0.00 -3.49 0.40 0.00 0.00 0.00 0.00 23.12 20.03 1nlk s ALA 92 CO 0.00 -1.20 1.73 1.15 0.00 0.00 0.00 175.76 177.44 1nlk h THR 93 N 1.16 0.69 -3.52 0.00 2.02 -1.95 -3.35 112.91 107.95 1nlk h THR 93 Ca -0.50 -0.15 -0.61 0.00 0.77 0.00 0.00 66.41 65.92 1nlk h THR 93 Cb 1.30 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 67.82 1nlk h THR 93 CO 0.56 0.08 0.38 0.21 0.37 0.00 0.00 175.52 177.12 1nlk s ASN 94 N -5.36 6.56 0.41 4.18 2.47 -1.26 -4.59 114.94 117.35 1nlk s ASN 94 Ca -0.13 0.37 0.17 0.00 0.42 0.00 0.00 52.86 53.70 1nlk s ASN 94 Cb 0.19 -2.40 1.07 0.00 -1.45 0.00 0.00 41.25 38.67 1nlk s ASN 94 CO 0.76 -0.73 1.83 -0.65 -3.72 0.00 0.00 177.10 174.60 1nlk h PRO 95 N 8.46 0.41 -0.03 0.43 0.11 -1.82 0.61 132.00 140.17 1nlk h PRO 95 Ca -0.25 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1nlk h PRO 95 Cb 1.09 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1nlk h PRO 95 CO 0.91 0.27 0.01 0.00 -0.21 0.00 0.00 178.00 178.98 1nlk h ALA 96 N 1.61 1.95 -0.03 -0.75 0.00 -1.91 -1.90 119.26 118.23 1nlk h ALA 96 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1nlk h ALA 96 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nlk h ALA 96 CO -0.21 0.04 -0.04 1.04 0.00 0.00 0.00 179.25 180.08 1nlk n GLN 97 N -4.52 2.09 -2.24 0.00 6.02 0.16 -4.99 117.38 113.90 1nlk n GLN 97 Ca -0.02 -1.78 -0.39 0.00 -0.01 0.00 0.00 57.00 54.79 1nlk n GLN 97 Cb 0.10 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 1nlk n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nlk s ALA 98 N -1.95 3.31 0.87 -1.58 0.00 -0.72 -4.67 121.76 117.03 1nlk s ALA 98 Ca 0.26 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1nlk s ALA 98 Cb 0.19 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 20.01 1nlk s ALA 98 CO 0.31 -0.53 1.09 0.00 0.00 0.00 0.00 175.76 176.63 1nlk s ALA 99 N -1.27 1.70 0.48 0.00 0.00 -1.26 -4.81 121.76 116.60 1nlk s ALA 99 Ca 0.52 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 1nlk s ALA 99 Cb -0.34 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 1nlk s ALA 99 CO 0.45 -2.22 1.32 -1.83 0.00 0.00 0.00 175.76 173.47 1nlk s GLU 100 N -4.94 3.57 0.00 0.00 -1.05 -1.26 -2.85 118.70 112.18 1nlk s GLU 100 Ca 0.63 2.16 0.00 0.00 -0.15 0.00 0.00 54.97 57.61 1nlk s GLU 100 Cb -0.18 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1nlk s GLU 100 CO 0.57 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 176.37 1nlk n GLY 101 N 0.63 0.69 3.88 -3.83 0.00 -1.26 -5.01 105.19 100.29 1nlk n GLY 101 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1nlk n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nlk s THR 102 N -3.04 4.80 0.18 2.61 -4.23 -1.13 -4.95 115.64 109.87 1nlk s THR 102 Ca 0.00 0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 60.94 1nlk s THR 102 Cb 0.00 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.11 1nlk s THR 102 CO 0.00 -0.76 1.77 0.40 -0.54 0.00 0.00 174.62 175.49 1nlk h ILE 103 N 0.52 0.91 -0.63 2.99 2.04 -1.02 -1.85 117.51 120.48 1nlk h ILE 103 Ca -0.46 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1nlk h ILE 103 Cb 1.19 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1nlk h ILE 103 CO 0.62 0.08 0.14 0.03 0.00 0.00 0.00 178.15 179.02 1nlk h ARG 104 N 0.42 0.99 -0.24 2.37 3.08 -1.53 0.32 114.38 119.79 1nlk h ARG 104 Ca 0.22 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1nlk h ARG 104 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1nlk h ARG 104 CO -0.18 0.89 -0.39 -0.22 -1.07 0.00 0.00 179.97 179.00 1nlk h LYS 105 N 0.94 0.54 0.00 0.04 3.11 -1.75 -0.59 116.57 118.86 1nlk h LYS 105 Ca 0.20 -0.27 -0.17 0.00 -2.81 0.00 0.00 60.65 57.60 1nlk h LYS 105 Cb 0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 1nlk h LYS 105 CO 0.00 0.85 -1.07 -0.44 -2.81 0.00 0.00 179.45 175.98 1nlk h ASP 106 N 0.45 0.00 0.00 4.20 3.32 -0.96 -3.42 116.42 120.01 1nlk h ASP 106 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1nlk h ASP 106 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1nlk h ASP 106 CO 0.08 0.70 -0.75 0.49 -1.72 0.00 0.00 179.24 178.04 1nlk n PHE 107 N -3.12 0.00 -1.95 4.55 3.72 0.11 -5.08 117.46 115.69 1nlk n PHE 107 Ca -0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.95 1nlk n PHE 107 Cb 0.86 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.39 1nlk n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nlk s ALA 108 N -1.75 3.46 -0.17 4.37 0.00 -0.23 -4.91 121.76 122.52 1nlk s ALA 108 Ca 0.00 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 1nlk s ALA 108 Cb 0.00 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 1nlk s ALA 108 CO 0.00 -0.89 0.12 1.15 0.00 0.00 0.00 175.76 176.13 1nlk h THR 109 N 2.84 0.62 -3.01 0.00 2.02 -1.67 -3.47 112.91 110.25 1nlk h THR 109 Ca -0.50 -1.73 -0.15 0.00 0.77 0.00 0.00 66.41 64.81 1nlk h THR 109 Cb 1.24 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 1nlk h THR 109 CO 0.64 0.21 -0.10 -1.54 0.37 0.00 0.00 175.52 175.10 1nlk n SER 110 N -4.53 -0.55 0.14 4.18 3.41 -1.05 -4.96 113.62 110.26 1nlk n SER 110 Ca -0.20 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 1nlk n SER 110 Cb 0.48 1.06 0.29 0.00 -0.26 0.00 0.00 64.21 65.79 1nlk n SER 110 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1nlk h ILE 111 N 1.47 1.29 0.10 -1.33 2.10 -1.96 -3.08 117.51 116.10 1nlk h ILE 111 Ca -0.12 -1.41 -0.23 0.00 1.08 0.00 0.00 64.86 64.19 1nlk h ILE 111 Cb 0.54 1.69 0.02 0.00 -1.09 0.00 0.00 36.82 37.99 1nlk h ILE 111 CO 0.16 0.41 -0.95 -2.24 -1.08 0.00 0.00 178.15 174.46 1nlk h ASP 112 N 0.09 0.66 -3.33 2.19 2.03 -1.96 -3.37 116.42 112.73 1nlk h ASP 112 Ca 0.01 -0.85 -0.75 0.00 -0.73 0.00 0.00 57.03 54.71 1nlk h ASP 112 Cb 0.74 -0.21 -0.32 0.00 -0.83 0.00 0.00 39.33 38.71 1nlk h ASP 112 CO 0.05 1.44 0.18 0.29 -1.03 0.00 0.00 179.24 180.18 1nlk n LYS 113 N -4.01 3.15 -1.03 4.15 5.02 -1.17 -4.87 118.16 119.40 1nlk n LYS 113 Ca -0.13 -4.49 -0.14 0.00 -2.02 0.00 0.00 58.31 51.53 1nlk n LYS 113 Cb 0.86 -2.47 0.20 0.00 -0.02 0.00 0.00 35.03 33.60 1nlk n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1nlk n ASN 114 N 2.30 3.39 0.00 4.39 0.23 -1.17 -1.92 115.26 122.47 1nlk n ASN 114 Ca 0.23 -3.62 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 1nlk n ASN 114 Cb 0.38 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 1nlk n ASN 114 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1nlk n THR 115 N -1.02 0.00 -4.06 5.53 -1.04 -1.26 -4.77 114.28 107.66 1nlk n THR 115 Ca 0.47 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.41 1nlk n THR 115 Cb 1.39 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.80 1nlk n THR 115 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1nlk s VAL 116 N 0.00 0.21 0.07 12.58 -7.23 -1.26 -0.40 120.40 124.36 1nlk s VAL 116 Ca 0.00 -1.70 0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1nlk s VAL 116 Cb 0.00 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1nlk s VAL 116 CO 0.00 -0.94 -0.17 -2.28 -0.31 0.00 0.00 175.10 171.40 1nlk s HIS 117 N -3.80 1.45 -0.07 2.82 2.46 -0.08 -4.90 115.29 113.16 1nlk s HIS 117 Ca 0.06 -0.41 -0.11 0.00 0.47 0.00 0.00 55.06 55.06 1nlk s HIS 117 Cb 0.07 -0.82 0.02 0.00 -0.13 0.00 0.00 32.58 31.72 1nlk s HIS 117 CO -0.10 0.10 0.29 0.20 -2.47 0.00 0.00 174.74 172.76 1nlk s GLY 118 N -1.57 -0.17 0.25 1.59 0.00 -1.26 -1.58 107.32 104.58 1nlk s GLY 118 Ca 0.02 0.59 -0.31 0.00 0.00 0.00 0.00 44.72 45.02 1nlk s GLY 118 CO 0.02 0.44 1.64 -0.56 0.00 0.00 0.00 173.10 174.64 1nlk s SER 119 N -0.46 6.40 0.17 1.64 0.01 -0.77 -4.89 113.70 115.80 1nlk s SER 119 Ca -0.06 2.89 0.26 0.00 1.31 0.00 0.00 55.95 60.35 1nlk s SER 119 Cb -0.04 -2.62 0.91 0.00 0.21 0.00 0.00 66.02 64.49 1nlk s SER 119 CO 0.02 -0.93 1.78 -0.90 0.41 0.00 0.00 173.24 173.62 1nlk n ASP 120 N 3.04 0.61 -3.55 2.44 5.68 -1.26 -4.85 116.55 118.66 1nlk n ASP 120 Ca 0.12 0.57 -0.11 0.00 -0.50 0.00 0.00 54.79 54.87 1nlk n ASP 120 Cb 0.37 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.60 1nlk n ASP 120 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nlk s SER 121 N -4.14 -0.48 0.25 -1.12 1.04 -1.26 -5.00 113.70 102.99 1nlk s SER 121 Ca 0.10 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 1nlk s SER 121 Cb 0.13 0.64 0.26 0.00 0.10 0.00 0.00 66.02 67.15 1nlk s SER 121 CO 0.54 -1.08 1.89 0.25 0.98 0.00 0.00 173.24 175.81 1nlk h LEU 122 N 2.00 1.10 0.10 2.42 6.46 -1.95 0.16 115.31 125.60 1nlk h LEU 122 Ca -0.30 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.40 1nlk h LEU 122 Cb 1.29 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1nlk h LEU 122 CO 0.34 0.86 -0.16 -0.08 -0.62 0.00 0.00 178.44 178.77 1nlk h GLU 123 N 1.25 -0.30 0.00 1.25 4.81 -1.99 -2.37 114.58 117.23 1nlk h GLU 123 Ca 0.32 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1nlk h GLU 123 Cb -0.03 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1nlk h GLU 123 CO -0.06 -0.20 -0.43 -0.91 -0.73 0.00 0.00 179.01 176.68 1nlk h ASN 124 N -0.31 0.00 -0.07 1.04 2.35 -1.88 -3.18 115.58 113.53 1nlk h ASN 124 Ca 0.02 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1nlk h ASN 124 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1nlk h ASN 124 CO -0.08 0.43 0.02 0.00 -1.65 0.00 0.00 177.43 176.15 1nlk h ALA 125 N 1.57 0.07 -0.74 -0.83 0.00 -0.25 0.12 119.26 119.21 1nlk h ALA 125 Ca -0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1nlk h ALA 125 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1nlk h ALA 125 CO 0.06 -0.45 0.40 0.87 0.00 0.00 0.00 179.25 180.13 1nlk h LYS 126 N 0.06 0.69 0.16 0.00 1.57 -1.42 0.46 116.57 118.09 1nlk h LYS 126 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nlk h LYS 126 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1nlk h LYS 126 CO -0.03 0.46 -0.08 0.82 -0.57 0.00 0.00 179.45 180.05 1nlk h ILE 127 N 0.71 0.96 -0.86 1.86 2.04 -1.47 -2.16 117.51 118.59 1nlk h ILE 127 Ca 0.35 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1nlk h ILE 127 Cb 0.29 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1nlk h ILE 127 CO -0.22 0.16 0.56 -0.33 0.00 0.00 0.00 178.15 178.32 1nlk h GLU 128 N -0.57 1.08 -0.43 2.37 5.08 -0.44 -0.47 114.58 121.21 1nlk h GLU 128 Ca -0.02 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1nlk h GLU 128 Cb 0.43 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nlk h GLU 128 CO 0.04 0.72 0.06 0.82 -1.00 0.00 0.00 179.01 179.64 1nlk h ILE 129 N 1.12 1.25 0.00 3.13 2.04 -0.96 -2.56 117.51 121.53 1nlk h ILE 129 Ca 0.33 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1nlk h ILE 129 Cb -0.06 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1nlk h ILE 129 CO -0.10 0.32 -0.15 0.00 0.00 0.00 0.00 178.15 178.22 1nlk h ALA 130 N 0.93 1.15 -0.35 1.87 0.00 -0.92 0.28 119.26 122.23 1nlk h ALA 130 Ca 0.13 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1nlk h ALA 130 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nlk h ALA 130 CO 0.01 0.19 -0.24 -0.92 0.00 0.00 0.00 179.25 178.29 1nlk h TYR 131 N 0.00 0.91 0.00 0.00 3.20 -0.69 -3.36 116.97 117.03 1nlk h TYR 131 Ca -0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1nlk h TYR 131 Cb 0.49 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1nlk h TYR 131 CO 0.00 1.00 -1.06 1.19 -1.64 0.00 0.00 178.16 177.65 1nlk n PHE 132 N -4.25 0.00 -4.11 -3.82 3.72 -1.05 -5.02 117.46 102.94 1nlk n PHE 132 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 1nlk n PHE 132 Cb 0.45 -0.12 -0.13 0.00 -0.94 0.00 0.00 39.48 38.74 1nlk n PHE 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1nlk s PHE 133 N -2.67 0.55 0.40 1.38 0.08 0.97 -5.10 117.98 113.58 1nlk s PHE 133 Ca 0.02 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 1nlk s PHE 133 Cb 0.11 -0.34 -0.07 0.00 -0.57 0.00 0.00 43.02 42.16 1nlk s PHE 133 CO 0.64 -0.05 0.77 1.03 -0.10 0.00 0.00 175.22 177.51 1nlk s ARG 134 N -0.81 3.80 0.45 0.44 0.52 -1.26 -4.35 118.95 117.75 1nlk s ARG 134 Ca -0.04 0.49 0.11 0.00 -0.52 0.00 0.00 55.73 55.77 1nlk s ARG 134 Cb -0.06 -2.39 1.01 0.00 0.52 0.00 0.00 34.95 34.03 1nlk s ARG 134 CO 0.00 -0.02 2.07 0.93 0.02 0.00 0.00 175.30 178.31 1nlk h GLU 135 N 1.35 0.35 0.00 3.54 4.39 -1.95 -0.40 114.58 121.86 1nlk h GLU 135 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1nlk h GLU 135 Cb 1.19 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1nlk h GLU 135 CO 0.64 0.23 0.00 0.25 -1.16 0.00 0.00 179.01 178.97 1nlk n THR 136 N -4.49 0.47 1.01 1.13 -2.24 -1.26 -2.01 114.28 106.89 1nlk n THR 136 Ca 0.02 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 1nlk n THR 136 Cb 0.12 -0.85 0.03 0.00 -2.10 0.00 0.00 70.33 67.53 1nlk n THR 136 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nlk n GLU 137 N -1.25 1.40 -3.99 -0.78 1.02 -0.16 -4.88 120.64 111.99 1nlk n GLU 137 Ca 0.08 -1.16 -0.35 0.00 -0.02 0.00 0.00 57.16 55.72 1nlk n GLU 137 Cb 0.12 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.95 1nlk n GLU 137 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nlk s ILE 138 N -2.39 4.27 -0.12 -3.67 1.01 -0.85 -4.64 121.20 114.81 1nlk s ILE 138 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 1nlk s ILE 138 Cb 0.18 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.75 1nlk s ILE 138 CO 0.52 0.41 0.01 -1.00 0.00 0.00 0.00 174.94 174.89 1nlk s HIS 139 N 0.97 0.84 0.55 3.97 3.76 0.94 -5.01 115.29 121.31 1nlk s HIS 139 Ca 0.03 -0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 1nlk s HIS 139 Cb -0.14 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 1nlk s HIS 139 CO 0.02 -0.45 0.90 0.45 -0.85 0.00 0.00 174.74 174.82 1nlk s SER 140 N 1.92 6.14 0.15 1.40 0.15 -1.26 -4.57 113.70 117.63 1nlk s SER 140 Ca 0.03 1.09 -0.18 0.00 0.70 0.00 0.00 55.95 57.59 1nlk s SER 140 Cb -0.14 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1nlk s SER 140 CO -0.06 -0.77 0.48 -0.72 1.20 0.00 0.00 173.24 173.36 1nlk s TYR 141 N -2.95 -0.26 0.48 3.44 -0.85 -1.26 -5.14 117.35 110.81 1nlk s TYR 141 Ca 0.51 -0.04 -0.12 0.00 -0.52 0.00 0.00 57.07 56.91 1nlk s TYR 141 Cb -0.11 0.36 -0.06 0.00 0.38 0.00 0.00 41.96 42.54 1nlk s TYR 141 CO 0.48 -0.79 0.88 -1.25 -1.52 0.00 0.00 175.55 173.36 1nlk s PRO 142 N -3.81 3.78 -0.34 -3.49 0.04 -1.26 -5.03 135.00 124.88 1nlk s PRO 142 Ca 0.04 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.59 1nlk s PRO 142 Cb 0.00 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1nlk s PRO 142 CO -0.10 -0.22 0.23 0.71 0.04 0.00 0.00 177.00 177.66 1nlk s TYR 143 N -2.63 3.23 0.00 0.56 2.02 -1.26 -5.26 117.35 114.00 1nlk s TYR 143 Ca 0.54 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1nlk s TYR 143 Cb -0.10 -2.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1nlk s TYR 143 CO 0.37 -0.37 0.00 0.00 -1.57 0.00 0.00 175.55 173.97