#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nck s ILE 3 N 0.00 3.90 0.33 0.00 -1.09 -1.26 -1.67 121.20 121.42 2nck s ILE 3 Ca 0.00 1.18 0.06 0.00 -2.23 0.00 0.00 60.65 59.65 2nck s ILE 3 Cb 0.00 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 37.06 2nck s ILE 3 CO 0.00 -0.06 -0.00 -1.61 -1.23 0.00 0.00 174.94 172.04 2nck s GLU 4 N 3.16 1.71 -0.04 2.79 2.02 0.81 -4.91 118.70 124.24 2nck s GLU 4 Ca 0.63 -1.92 0.05 0.00 0.02 0.00 0.00 54.97 53.75 2nck s GLU 4 Cb -0.28 -1.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 2nck s GLU 4 CO 0.23 -0.06 -0.20 1.03 0.02 0.00 0.00 175.26 176.28 2nck s ARG 5 N -3.77 1.92 0.06 1.61 0.52 -1.26 -1.62 118.95 116.41 2nck s ARG 5 Ca 0.34 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2nck s ARG 5 Cb 0.07 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 2nck s ARG 5 CO 0.15 0.34 -0.05 -0.08 0.02 0.00 0.00 175.30 175.68 2nck s THR 6 N -0.17 0.42 -0.00 0.02 -1.32 -0.36 -4.76 115.64 109.46 2nck s THR 6 Ca -0.00 -1.50 -0.16 0.00 -1.21 0.00 0.00 61.69 58.82 2nck s THR 6 Cb -0.11 -1.11 -0.06 0.00 -1.51 0.00 0.00 72.50 69.72 2nck s THR 6 CO 0.02 -0.72 0.45 -0.22 -2.21 0.00 0.00 174.62 171.94 2nck s LEU 7 N -2.35 4.46 -0.02 9.08 2.96 -1.26 -0.69 118.68 130.85 2nck s LEU 7 Ca -0.00 1.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 2nck s LEU 7 Cb -0.01 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 2nck s LEU 7 CO -0.04 0.27 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.58 2nck s SER 8 N -0.83 1.49 -0.06 3.68 0.15 0.46 -1.98 113.70 116.61 2nck s SER 8 Ca 0.25 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.68 2nck s SER 8 Cb -0.17 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 2nck s SER 8 CO 0.14 0.13 -0.06 -0.63 1.20 0.00 0.00 173.24 174.02 2nck s ILE 9 N -0.10 0.69 -0.37 6.45 1.01 -0.61 -0.43 121.20 127.84 2nck s ILE 9 Ca 0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 2nck s ILE 9 Cb -0.07 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2nck s ILE 9 CO 0.00 0.27 0.60 -0.63 0.00 0.00 0.00 174.94 175.18 2nck s ILE 10 N 1.04 4.92 0.93 2.92 1.01 -0.17 -0.43 121.20 131.41 2nck s ILE 10 Ca -0.09 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2nck s ILE 10 Cb -0.14 -4.06 0.15 0.00 0.01 0.00 0.00 42.46 38.41 2nck s ILE 10 CO -0.00 -0.33 1.09 -0.54 0.00 0.00 0.00 174.94 175.16 2nck s LYS 11 N 2.62 1.01 0.30 2.79 1.02 0.83 -1.90 119.74 126.41 2nck s LYS 11 Ca 0.22 0.90 0.06 0.00 0.02 0.00 0.00 55.97 57.17 2nck s LYS 11 Cb -0.15 -1.77 0.81 0.00 -0.52 0.00 0.00 37.83 36.20 2nck s LYS 11 CO 0.15 -2.43 1.68 -1.35 -0.92 0.00 0.00 175.35 172.48 2nck h PRO 12 N -1.69 0.34 0.00 -1.68 0.11 -1.85 -0.12 132.00 127.10 2nck h PRO 12 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2nck h PRO 12 Cb 1.29 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2nck h PRO 12 CO 0.53 0.22 -0.08 0.38 -0.21 0.00 0.00 178.00 178.84 2nck h ASP 13 N 0.35 0.00 -0.29 -2.05 2.03 -1.90 -1.99 116.42 112.56 2nck h ASP 13 Ca 0.60 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.78 2nck h ASP 13 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 2nck h ASP 13 CO -0.57 0.08 -0.26 1.23 -1.03 0.00 0.00 179.24 178.69 2nck h GLY 14 N 0.34 0.86 0.82 7.15 0.00 -1.25 -2.08 103.07 108.91 2nck h GLY 14 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.45 2nck h GLY 14 CO 0.01 0.69 -0.38 1.41 0.00 0.00 0.00 176.54 178.27 2nck h LEU 15 N 0.68 0.55 -1.80 3.11 4.07 -1.45 -2.52 115.31 117.95 2nck h LEU 15 Ca 0.09 -0.60 0.06 0.00 0.08 0.00 0.00 57.88 57.50 2nck h LEU 15 Cb 0.78 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 2nck h LEU 15 CO 0.06 1.06 0.24 -0.33 -1.08 0.00 0.00 178.44 178.39 2nck h GLU 16 N 0.08 0.24 -0.00 1.13 5.08 -1.32 0.10 114.58 119.88 2nck h GLU 16 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2nck h GLU 16 Cb 1.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2nck h GLU 16 CO 0.08 0.16 -0.12 1.63 -1.00 0.00 0.00 179.01 179.75 2nck n LYS 17 N -4.48 0.36 -3.24 2.33 5.02 -0.79 -4.94 118.16 112.42 2nck n LYS 17 Ca 0.04 -0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 2nck n LYS 17 Cb 0.25 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 2nck n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nck n GLY 18 N 1.37 -0.18 0.75 0.72 0.00 0.35 -4.95 105.19 103.26 2nck n GLY 18 Ca 0.11 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2nck n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2nck n VAL 19 N -4.36 2.30 -0.02 1.61 0.24 -0.97 -4.74 118.33 112.39 2nck n VAL 19 Ca -0.01 -2.93 -0.09 0.00 -2.04 0.00 0.00 64.34 59.27 2nck n VAL 19 Cb 0.55 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 2nck n VAL 19 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2nck h ILE 20 N 0.93 0.89 -0.64 1.34 2.04 -1.91 -1.33 117.51 118.83 2nck h ILE 20 Ca 0.08 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2nck h ILE 20 Cb 1.24 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2nck h ILE 20 CO 0.14 0.01 0.36 1.23 0.00 0.00 0.00 178.15 179.89 2nck h GLY 21 N 0.04 0.95 1.10 5.37 0.00 -1.96 -1.25 103.07 107.32 2nck h GLY 21 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 2nck h GLY 21 CO -0.12 0.41 0.33 0.50 0.00 0.00 0.00 176.54 177.65 2nck h LYS 22 N 0.88 1.15 -0.10 4.80 1.57 -1.84 0.29 116.57 123.32 2nck h LYS 22 Ca 0.23 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2nck h LYS 22 Cb 0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2nck h LYS 22 CO -0.04 0.92 -0.02 0.82 -0.57 0.00 0.00 179.45 180.56 2nck h ILE 23 N 1.13 1.29 -0.97 1.86 2.04 -0.91 -2.18 117.51 119.76 2nck h ILE 23 Ca 0.26 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2nck h ILE 23 Cb 0.19 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 2nck h ILE 23 CO -0.02 0.27 0.64 0.40 0.00 0.00 0.00 178.15 179.43 2nck h ILE 24 N -0.13 1.22 -0.74 -0.67 2.04 -1.07 -1.76 117.51 116.40 2nck h ILE 24 Ca 0.03 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2nck h ILE 24 Cb 0.43 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 2nck h ILE 24 CO 0.01 0.23 0.49 0.28 0.00 0.00 0.00 178.15 179.17 2nck h SER 25 N 1.28 0.85 -0.96 1.72 0.02 -0.77 -0.77 113.55 114.93 2nck h SER 25 Ca 0.37 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.36 2nck h SER 25 Cb -0.09 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.18 2nck h SER 25 CO -0.10 0.61 0.62 0.03 -1.14 0.00 0.00 176.83 176.86 2nck h ARG 26 N 1.00 1.10 -0.02 3.45 2.47 -0.67 0.80 114.38 122.51 2nck h ARG 26 Ca 0.27 -0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.85 2nck h ARG 26 Cb -0.11 -0.25 0.01 0.00 -1.65 0.00 0.00 29.97 27.97 2nck h ARG 26 CO -0.06 0.73 -0.30 0.74 0.56 0.00 0.00 179.97 181.64 2nck h PHE 27 N 1.13 0.34 -0.65 3.04 0.04 -1.23 -3.09 116.94 116.52 2nck h PHE 27 Ca 0.40 -0.17 0.03 0.00 2.80 0.00 0.00 57.97 61.04 2nck h PHE 27 Cb 0.14 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 2nck h PHE 27 CO -0.00 0.94 0.39 0.93 -0.60 0.00 0.00 178.31 179.97 2nck h GLU 28 N -0.35 0.75 0.00 1.51 5.08 -0.73 0.45 114.58 121.28 2nck h GLU 28 Ca -0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2nck h GLU 28 Cb 1.01 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2nck h GLU 28 CO 0.06 0.49 -0.16 1.05 -1.00 0.00 0.00 179.01 179.45 2nck h GLU 29 N 0.77 0.00 -0.48 2.33 4.11 -0.95 -2.04 114.58 118.32 2nck h GLU 29 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2nck h GLU 29 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2nck h GLU 29 CO -0.11 0.16 0.00 1.63 0.07 0.00 0.00 179.01 180.76 2nck n LYS 30 N -3.69 2.20 -0.78 1.06 4.76 -0.52 -4.93 118.16 116.26 2nck n LYS 30 Ca -0.02 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 2nck n LYS 30 Cb 0.28 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2nck n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nck n GLY 31 N 1.34 0.59 3.42 0.72 0.00 -0.77 -5.01 105.19 105.49 2nck n GLY 31 Ca 0.18 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 2nck n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nck s LEU 32 N 0.00 5.24 -0.24 0.99 1.43 0.03 -4.60 118.68 121.53 2nck s LEU 32 Ca 0.00 -1.10 -0.26 0.00 -1.03 0.00 0.00 54.13 51.74 2nck s LEU 32 Cb 0.00 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2nck s LEU 32 CO 0.00 -0.82 0.88 -0.75 0.23 0.00 0.00 176.35 175.89 2nck s LYS 33 N 2.28 4.19 -0.32 1.70 2.20 -0.09 -3.37 119.74 126.32 2nck s LYS 33 Ca 0.11 1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 56.46 2nck s LYS 33 Cb -0.21 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 2nck s LYS 33 CO 0.10 -0.56 1.53 -2.14 -0.36 0.00 0.00 175.35 173.91 2nck s PRO 34 N 2.95 3.65 0.00 4.03 0.02 -1.26 -0.43 135.00 143.96 2nck s PRO 34 Ca 0.37 1.29 0.14 0.00 0.02 0.00 0.00 61.00 62.82 2nck s PRO 34 Cb -0.15 -4.04 0.12 0.00 0.02 0.00 0.00 34.50 30.45 2nck s PRO 34 CO 0.07 -1.47 0.95 1.33 -0.33 0.00 0.00 177.00 177.56 2nck n VAL 35 N 6.81 0.02 -3.65 3.83 0.24 -0.13 -4.94 118.33 120.51 2nck n VAL 35 Ca 0.18 -0.51 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 2nck n VAL 35 Cb 0.47 1.28 -0.08 0.00 -1.47 0.00 0.00 33.84 34.03 2nck n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nck s ALA 36 N -1.17 -1.64 -0.16 2.33 0.00 -1.21 -0.27 121.76 119.65 2nck s ALA 36 Ca 0.17 2.03 -0.11 0.00 0.00 0.00 0.00 51.96 54.04 2nck s ALA 36 Cb 0.12 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 22.10 2nck s ALA 36 CO 0.18 -0.33 0.40 0.42 0.00 0.00 0.00 175.76 176.43 2nck s ILE 37 N 1.00 -0.01 -0.25 0.00 1.01 -1.26 -1.44 121.20 120.25 2nck s ILE 37 Ca -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 2nck s ILE 37 Cb -0.05 -0.58 0.11 0.00 0.01 0.00 0.00 42.46 41.95 2nck s ILE 37 CO -0.09 0.02 0.55 -0.60 0.00 0.00 0.00 174.94 174.82 2nck s ARG 38 N 0.81 0.48 0.01 2.79 3.52 0.14 -4.98 118.95 121.72 2nck s ARG 38 Ca -0.05 1.24 -0.29 0.00 -0.13 0.00 0.00 55.73 56.50 2nck s ARG 38 Cb -0.06 0.57 -0.04 0.00 -1.56 0.00 0.00 34.95 33.87 2nck s ARG 38 CO -0.06 -0.21 0.94 -1.17 -0.81 0.00 0.00 175.30 173.98 2nck s LEU 39 N 2.63 4.39 0.00 -0.88 0.20 -1.26 -0.72 118.68 123.03 2nck s LEU 39 Ca -0.05 1.62 -0.17 0.00 0.69 0.00 0.00 54.13 56.23 2nck s LEU 39 Cb -0.11 -3.51 0.03 0.00 -0.43 0.00 0.00 46.19 42.17 2nck s LEU 39 CO -0.16 -0.21 0.36 -1.58 -0.29 0.00 0.00 176.35 174.47 2nck s GLN 40 N 0.80 0.77 -0.35 1.98 0.74 -0.34 -4.97 119.66 118.29 2nck s GLN 40 Ca 0.49 -0.23 -0.08 0.00 0.05 0.00 0.00 55.36 55.59 2nck s GLN 40 Cb -0.21 0.34 0.03 0.00 1.10 0.00 0.00 33.01 34.27 2nck s GLN 40 CO 0.27 -0.23 0.14 -1.58 -0.55 0.00 0.00 175.29 173.34 2nck s HIS 41 N -1.70 3.24 0.43 1.67 5.65 -1.26 -0.67 115.29 122.66 2nck s HIS 41 Ca -0.11 -1.23 -0.25 0.00 0.25 0.00 0.00 55.06 53.73 2nck s HIS 41 Cb -0.03 -2.33 -0.08 0.00 -1.18 0.00 0.00 32.58 28.96 2nck s HIS 41 CO 0.03 -0.69 1.23 -0.51 -0.65 0.00 0.00 174.74 174.15 2nck s LEU 42 N 1.46 4.12 0.44 8.88 1.02 -1.26 -5.03 118.68 128.31 2nck s LEU 42 Ca -0.00 2.49 0.00 0.00 0.02 0.00 0.00 54.13 56.64 2nck s LEU 42 Cb -0.19 -4.06 -0.01 0.00 0.02 0.00 0.00 46.19 41.95 2nck s LEU 42 CO 0.04 -0.89 0.65 -0.94 0.02 0.00 0.00 176.35 175.23 2nck s SER 43 N -1.03 5.89 0.23 2.29 1.04 -1.26 -4.69 113.70 116.17 2nck s SER 43 Ca 0.60 0.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.26 2nck s SER 43 Cb -0.34 -1.59 0.28 0.00 0.10 0.00 0.00 66.02 64.48 2nck s SER 43 CO 0.42 -0.65 1.86 -0.61 0.98 0.00 0.00 173.24 175.25 2nck h GLN 44 N 0.45 0.96 -0.81 4.02 4.15 -1.95 -1.25 115.11 120.67 2nck h GLN 44 Ca -0.46 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 58.93 2nck h GLN 44 Cb 1.25 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.67 2nck h GLN 44 CO 0.58 0.63 0.52 0.00 -1.93 0.00 0.00 178.83 178.63 2nck h ALA 45 N 1.37 1.07 -0.17 3.38 0.00 -1.99 -1.01 119.26 121.92 2nck h ALA 45 Ca 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2nck h ALA 45 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2nck h ALA 45 CO -0.14 0.33 0.00 1.96 0.00 0.00 0.00 179.25 181.40 2nck h GLN 46 N 1.00 0.29 -0.38 0.00 4.20 -1.67 -1.28 115.11 117.28 2nck h GLN 46 Ca 0.33 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2nck h GLN 46 Cb 0.02 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2nck h GLN 46 CO -0.12 0.50 0.19 0.00 -0.67 0.00 0.00 178.83 178.73 2nck h ALA 47 N 0.78 0.49 -0.51 3.87 0.00 -1.06 -0.65 119.26 122.17 2nck h ALA 47 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nck h ALA 47 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2nck h ALA 47 CO 0.01 0.04 0.29 0.93 0.00 0.00 0.00 179.25 180.52 2nck h GLU 48 N 0.48 0.71 -0.56 0.00 5.08 -1.18 -0.28 114.58 118.83 2nck h GLU 48 Ca 0.13 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2nck h GLU 48 Cb 0.11 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2nck h GLU 48 CO -0.02 0.54 0.14 0.78 -1.00 0.00 0.00 179.01 179.45 2nck h GLY 49 N 0.69 0.93 1.08 -3.84 0.00 -1.03 0.11 103.07 101.00 2nck h GLY 49 Ca 0.18 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 2nck h GLY 49 CO -0.03 0.51 -0.19 -2.75 0.00 0.00 0.00 176.54 174.08 2nck h PHE 50 N 0.83 1.08 -0.63 5.60 3.57 -0.55 -3.13 116.94 123.71 2nck h PHE 50 Ca 0.18 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2nck h PHE 50 Cb 0.30 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2nck h PHE 50 CO 0.02 1.06 0.00 0.66 -2.23 0.00 0.00 178.31 177.82 2nck n TYR 51 N -4.17 1.52 -0.31 0.41 4.01 -0.17 -4.73 117.16 113.74 2nck n TYR 51 Ca -0.00 -0.60 0.08 0.00 -0.16 0.00 0.00 57.90 57.23 2nck n TYR 51 Cb 0.44 -0.27 0.20 0.00 -0.31 0.00 0.00 39.34 39.40 2nck n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2nck h ALA 52 N 4.12 0.88 0.00 -0.72 0.00 -0.92 0.15 119.26 122.77 2nck h ALA 52 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2nck h ALA 52 Cb 1.48 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2nck h ALA 52 CO 0.25 -0.47 0.00 1.33 0.00 0.00 0.00 179.25 180.37 2nck n VAL 53 N -5.45 1.89 -0.67 0.00 0.24 -1.26 -0.81 118.33 112.26 2nck n VAL 53 Ca 0.17 0.48 0.07 0.00 -2.04 0.00 0.00 64.34 63.02 2nck n VAL 53 Cb 0.57 -1.48 0.18 0.00 -1.47 0.00 0.00 33.84 31.65 2nck n VAL 53 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2nck n HIS 54 N -1.47 0.54 0.33 6.34 -0.00 0.53 -4.72 115.22 116.78 2nck n HIS 54 Ca 0.00 -0.75 0.22 0.00 -0.00 0.00 0.00 57.72 57.19 2nck n HIS 54 Cb 0.00 -0.18 1.18 0.00 -0.00 0.00 0.00 29.99 31.00 2nck n HIS 54 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2nck h LYS 55 N 1.35 0.00 0.00 -0.41 2.10 -1.02 -1.37 116.57 117.22 2nck h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nck h LYS 55 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2nck h LYS 55 CO 0.10 0.00 -0.46 0.00 -2.00 0.00 0.00 179.45 177.09 2nck n ALA 56 N -2.08 3.33 -1.79 0.07 0.00 -1.26 -4.89 120.51 113.89 2nck n ALA 56 Ca -0.03 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 2nck n ALA 56 Cb 0.09 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 2nck n ALA 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2nck s ARG 57 N -3.02 4.36 0.56 0.00 1.81 -0.52 -4.95 118.95 117.19 2nck s ARG 57 Ca 0.11 1.39 0.24 0.00 -1.72 0.00 0.00 55.73 55.75 2nck s ARG 57 Cb 0.17 -2.61 1.59 0.00 -0.45 0.00 0.00 34.95 33.65 2nck s ARG 57 CO 0.68 0.06 2.21 -1.35 -0.68 0.00 0.00 175.30 176.22 2nck h PRO 58 N 2.73 0.00 0.00 3.54 0.11 -1.91 -2.38 132.00 134.09 2nck h PRO 58 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2nck h PRO 58 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nck h PRO 58 CO 0.63 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 2nck h PHE 59 N 0.00 0.00 -0.48 0.65 -5.15 -1.92 -3.40 116.94 106.64 2nck h PHE 59 Ca -0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 2nck h PHE 59 Cb 0.02 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.14 2nck h PHE 59 CO 0.00 0.00 -0.28 0.34 -2.00 0.00 0.00 178.31 176.37 2nck n PHE 60 N -3.01 -0.21 -0.30 6.09 7.35 -0.90 -1.19 117.46 125.29 2nck n PHE 60 Ca 0.04 0.60 0.03 0.00 -0.76 0.00 0.00 57.45 57.36 2nck n PHE 60 Cb 0.51 -0.51 0.18 0.00 0.35 0.00 0.00 39.48 40.01 2nck n PHE 60 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2nck h LYS 61 N 0.00 0.80 -0.38 -4.13 1.79 -1.82 -0.94 116.57 111.89 2nck h LYS 61 Ca 0.08 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 2nck h LYS 61 Cb 0.20 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2nck h LYS 61 CO -0.45 0.53 -0.22 -0.44 -1.08 0.00 0.00 179.45 177.79 2nck h ASP 62 N 0.82 0.84 -0.21 0.86 3.32 -1.63 -2.30 116.42 118.12 2nck h ASP 62 Ca 0.41 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 57.09 2nck h ASP 62 Cb 0.37 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2nck h ASP 62 CO -0.25 1.08 -0.09 0.25 -1.72 0.00 0.00 179.24 178.50 2nck h LEU 63 N 0.61 -0.32 -0.69 1.55 5.85 -0.44 -1.17 115.31 120.70 2nck h LEU 63 Ca 0.08 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2nck h LEU 63 Cb 0.78 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2nck h LEU 63 CO 0.06 -0.12 0.44 0.58 -0.34 0.00 0.00 178.44 179.06 2nck h VAL 64 N -0.07 1.19 -0.53 1.05 2.07 -1.12 -1.06 116.25 117.78 2nck h VAL 64 Ca 0.11 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2nck h VAL 64 Cb 0.24 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2nck h VAL 64 CO -0.26 0.19 -0.01 1.56 0.02 0.00 0.00 177.57 179.07 2nck h GLN 65 N 0.94 0.90 -0.34 1.57 1.08 -0.90 -2.56 115.11 115.79 2nck h GLN 65 Ca 0.25 -0.26 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 2nck h GLN 65 Cb -0.07 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 2nck h GLN 65 CO -0.05 0.90 -0.15 0.35 -0.95 0.00 0.00 178.83 178.92 2nck h PHE 66 N 0.83 0.82 0.00 2.96 3.57 -0.94 -2.19 116.94 121.98 2nck h PHE 66 Ca 0.15 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2nck h PHE 66 Cb 0.50 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2nck h PHE 66 CO 0.03 0.91 0.00 -1.33 -2.23 0.00 0.00 178.31 175.69 2nck n MET 67 N -4.34 0.14 -0.05 1.11 2.81 -0.43 -1.95 117.12 114.42 2nck n MET 67 Ca -0.02 0.49 0.03 0.00 -1.81 0.00 0.00 57.70 56.38 2nck n MET 67 Cb 0.39 -1.84 0.05 0.00 -0.71 0.00 0.00 33.22 31.12 2nck n MET 67 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2nck n ILE 68 N -2.11 0.45 0.50 2.02 -5.35 -0.98 -4.58 119.36 109.30 2nck n ILE 68 Ca 0.01 -0.72 0.12 0.00 -0.27 0.00 0.00 62.75 61.89 2nck n ILE 68 Cb 0.14 0.85 0.46 0.00 -1.74 0.00 0.00 39.64 39.35 2nck n ILE 68 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2nck n SER 69 N 0.24 0.70 -3.63 7.28 3.41 -0.82 -4.88 113.62 115.92 2nck n SER 69 Ca 0.05 0.63 -0.04 0.00 -0.26 0.00 0.00 58.87 59.25 2nck n SER 69 Cb 0.25 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 2nck n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2nck s GLY 70 N -3.54 -0.12 0.74 5.00 0.00 -1.26 -5.12 107.32 103.02 2nck s GLY 70 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.63 2nck s GLY 70 CO 0.47 0.45 1.08 2.56 0.00 0.00 0.00 173.10 177.66 2nck s PRO 71 N -3.04 2.55 0.28 2.90 0.04 -1.26 -4.62 135.00 131.85 2nck s PRO 71 Ca 0.14 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.31 2nck s PRO 71 Cb -0.02 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2nck s PRO 71 CO 0.04 -1.41 0.01 0.14 0.04 0.00 0.00 177.00 175.81 2nck s VAL 72 N -2.95 1.25 -0.26 -0.36 -7.23 0.16 -4.03 120.40 106.98 2nck s VAL 72 Ca 0.60 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2nck s VAL 72 Cb -0.16 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.26 2nck s VAL 72 CO 0.55 -0.19 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.43 2nck s VAL 73 N -3.27 3.04 -0.00 1.32 1.01 -0.80 -1.20 120.40 120.50 2nck s VAL 73 Ca 0.32 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 2nck s VAL 73 Cb 0.06 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2nck s VAL 73 CO 0.12 0.14 0.57 -0.76 0.00 0.00 0.00 175.10 175.17 2nck s LEU 74 N 1.34 4.43 0.01 3.92 1.43 0.10 -1.00 118.68 128.90 2nck s LEU 74 Ca -0.00 1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 54.14 2nck s LEU 74 Cb -0.17 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.17 2nck s LEU 74 CO -0.03 0.13 0.20 -0.04 0.23 0.00 0.00 176.35 176.84 2nck s MET 75 N -0.32 0.60 -0.17 1.70 -1.94 0.43 -0.68 119.30 118.92 2nck s MET 75 Ca 0.30 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 2nck s MET 75 Cb -0.18 0.25 0.01 0.00 2.01 0.00 0.00 34.83 36.92 2nck s MET 75 CO 0.17 -0.16 -0.17 0.08 -0.01 0.00 0.00 175.02 174.93 2nck s VAL 76 N -1.78 2.44 -0.10 -6.03 1.01 -0.52 -0.40 120.40 115.02 2nck s VAL 76 Ca -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2nck s VAL 76 Cb -0.05 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2nck s VAL 76 CO 0.00 0.52 0.07 -0.76 0.00 0.00 0.00 175.10 174.93 2nck s LEU 77 N 1.06 3.96 -0.02 3.92 1.43 0.13 -0.95 118.68 128.21 2nck s LEU 77 Ca -0.01 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2nck s LEU 77 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 2nck s LEU 77 CO -0.05 0.39 -0.21 -0.70 0.23 0.00 0.00 176.35 176.00 2nck s GLU 78 N -1.00 1.82 0.00 1.70 2.12 0.43 -1.22 118.70 122.54 2nck s GLU 78 Ca 0.15 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.72 2nck s GLU 78 Cb -0.12 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.57 2nck s GLU 78 CO 0.04 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 2nck n GLY 79 N 2.68 0.09 3.70 -1.50 0.00 -0.64 -0.91 105.19 108.62 2nck n GLY 79 Ca -0.16 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2nck n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nck s GLU 80 N -2.00 4.29 -1.62 1.61 0.41 -1.26 -0.14 118.70 119.99 2nck s GLU 80 Ca 0.00 2.08 -0.16 0.00 -0.41 0.00 0.00 54.97 56.48 2nck s GLU 80 Cb 0.00 -3.38 0.12 0.00 -1.78 0.00 0.00 34.13 29.09 2nck s GLU 80 CO 0.00 -0.52 0.89 0.09 -0.49 0.00 0.00 175.26 175.23 2nck n ASN 81 N 4.55 -4.12 -0.34 -0.19 3.02 -0.67 -4.83 115.26 112.69 2nck n ASN 81 Ca 0.13 -0.89 0.06 0.00 -0.03 0.00 0.00 54.58 53.84 2nck n ASN 81 Cb 0.42 -3.32 0.21 0.00 -0.61 0.00 0.00 39.78 36.49 2nck n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nck h ALA 82 N 0.95 1.40 -0.09 5.41 0.00 -1.76 -0.41 119.26 124.76 2nck h ALA 82 Ca -0.58 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.38 2nck h ALA 82 Cb 1.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2nck h ALA 82 CO 0.73 0.20 -0.09 0.28 0.00 0.00 0.00 179.25 180.36 2nck h VAL 83 N 0.94 0.75 -0.17 0.00 2.07 -1.88 0.15 116.25 118.11 2nck h VAL 83 Ca 0.46 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.86 2nck h VAL 83 Cb 0.44 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2nck h VAL 83 CO -0.26 0.00 -0.39 0.25 0.02 0.00 0.00 177.57 177.19 2nck h LEU 84 N -0.11 0.63 -1.12 2.57 5.85 -1.85 -2.82 115.31 118.46 2nck h LEU 84 Ca 0.06 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.26 2nck h LEU 84 Cb 0.20 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2nck h LEU 84 CO -0.15 1.08 0.60 0.00 -0.34 0.00 0.00 178.44 179.63 2nck h ALA 85 N 0.56 1.45 -0.21 1.25 0.00 -0.92 -0.87 119.26 120.52 2nck h ALA 85 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2nck h ALA 85 Cb 1.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2nck h ALA 85 CO 0.09 0.44 0.12 -0.97 0.00 0.00 0.00 179.25 178.92 2nck h ASN 86 N 1.11 0.26 -0.28 0.00 -0.00 -0.66 -1.63 115.58 114.38 2nck h ASN 86 Ca 0.38 -0.08 -0.03 0.00 -0.00 0.00 0.00 56.30 56.57 2nck h ASN 86 Cb 0.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.32 2nck h ASN 86 CO -0.13 0.26 0.10 0.03 -0.00 0.00 0.00 177.43 177.69 2nck h ARG 87 N 0.23 0.50 -0.32 6.67 3.08 -1.05 -1.05 114.38 122.44 2nck h ARG 87 Ca 0.07 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2nck h ARG 87 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2nck h ARG 87 CO -0.01 0.46 0.00 -0.44 -1.07 0.00 0.00 179.97 178.91 2nck h ASP 88 N 0.50 0.55 0.15 7.04 3.32 -0.80 -2.21 116.42 124.97 2nck h ASP 88 Ca 0.12 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 2nck h ASP 88 Cb 0.18 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2nck h ASP 88 CO -0.01 0.72 -0.34 0.40 -1.72 0.00 0.00 179.24 178.30 2nck h ILE 89 N 0.37 1.28 -0.21 0.35 2.04 -0.77 -3.07 117.51 117.49 2nck h ILE 89 Ca 0.09 -1.35 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 2nck h ILE 89 Cb 0.44 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2nck h ILE 89 CO 0.02 0.41 -0.34 0.24 0.00 0.00 0.00 178.15 178.48 2nck h MET 90 N 0.24 0.60 0.00 2.37 2.86 -1.12 -1.21 114.93 118.66 2nck h MET 90 Ca 0.03 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2nck h MET 90 Cb 0.71 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2nck h MET 90 CO 0.05 0.97 0.00 0.41 1.06 0.00 0.00 176.91 179.41 2nck n GLY 91 N 0.33 -0.17 3.69 8.32 0.00 -0.84 -1.43 105.19 115.08 2nck n GLY 91 Ca -0.05 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 2nck n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nck n ALA 92 N 0.16 1.01 -0.17 4.61 0.00 -1.26 -4.88 120.51 119.98 2nck n ALA 92 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2nck n ALA 92 Cb 0.00 -2.24 0.48 0.00 0.00 0.00 0.00 19.45 17.69 2nck n ALA 92 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2nck h THR 93 N 1.34 0.81 -3.59 0.00 1.35 -1.95 -3.35 112.91 107.52 2nck h THR 93 Ca -0.49 -0.16 -0.66 0.00 -0.55 0.00 0.00 66.41 64.55 2nck h THR 93 Cb 1.32 0.31 -0.17 0.00 -1.73 0.00 0.00 68.15 67.89 2nck h THR 93 CO 0.56 0.08 -0.10 0.21 -0.25 0.00 0.00 175.52 176.03 2nck s ASN 94 N -5.96 6.26 0.34 5.36 3.84 -1.26 -4.51 114.94 119.01 2nck s ASN 94 Ca -0.08 -0.31 0.11 0.00 0.21 0.00 0.00 52.86 52.78 2nck s ASN 94 Cb 0.21 -2.25 0.90 0.00 -0.55 0.00 0.00 41.25 39.55 2nck s ASN 94 CO 0.77 -0.55 1.78 -0.65 -2.79 0.00 0.00 177.10 175.66 2nck h PRO 95 N 8.62 0.58 0.00 0.43 0.11 -1.85 0.13 132.00 140.03 2nck h PRO 95 Ca -0.27 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 2nck h PRO 95 Cb 1.12 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2nck h PRO 95 CO 0.79 0.39 -0.15 0.00 -0.21 0.00 0.00 178.00 178.82 2nck h ALA 96 N 1.65 1.19 -0.01 -0.75 0.00 -1.92 -1.88 119.26 117.54 2nck h ALA 96 Ca 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2nck h ALA 96 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2nck h ALA 96 CO -0.35 0.19 -0.52 0.94 0.00 0.00 0.00 179.25 179.51 2nck n GLN 97 N -3.55 1.06 -2.38 0.00 7.27 0.34 -4.99 117.38 115.14 2nck n GLN 97 Ca -0.01 -0.87 -0.39 0.00 0.07 0.00 0.00 57.00 55.79 2nck n GLN 97 Cb 0.30 -1.48 -0.03 0.00 2.41 0.00 0.00 30.24 31.43 2nck n GLN 97 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nck s ALA 98 N -2.54 3.30 0.81 1.69 0.00 -0.48 -4.71 121.76 119.85 2nck s ALA 98 Ca 0.18 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2nck s ALA 98 Cb 0.18 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 20.02 2nck s ALA 98 CO 0.60 -0.35 1.10 0.00 0.00 0.00 0.00 175.76 177.11 2nck s ALA 99 N -1.30 2.02 0.23 0.00 0.00 -1.26 -4.83 121.76 116.62 2nck s ALA 99 Ca 0.51 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 2nck s ALA 99 Cb -0.31 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 2nck s ALA 99 CO 0.40 -1.99 1.51 -2.00 0.00 0.00 0.00 175.76 173.68 2nck s GLU 100 N -4.89 4.22 0.00 0.00 2.12 -1.26 -2.90 118.70 115.99 2nck s GLU 100 Ca 0.62 2.38 0.00 0.00 0.36 0.00 0.00 54.97 58.33 2nck s GLU 100 Cb -0.18 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2nck s GLU 100 CO 0.56 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 2nck n GLY 101 N 2.72 0.81 3.92 -1.50 0.00 -1.26 -5.05 105.19 104.83 2nck n GLY 101 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2nck n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nck s THR 102 N -3.18 4.21 0.10 2.61 -4.23 -1.14 -4.96 115.64 109.04 2nck s THR 102 Ca 0.00 0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 2nck s THR 102 Cb 0.00 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 2nck s THR 102 CO 0.00 -0.61 1.70 0.40 -0.54 0.00 0.00 174.62 175.57 2nck h ILE 103 N 0.06 1.11 -0.39 2.99 2.04 -1.20 -1.88 117.51 120.23 2nck h ILE 103 Ca -0.46 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 2nck h ILE 103 Cb 1.23 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2nck h ILE 103 CO 0.61 0.10 -0.04 0.03 0.00 0.00 0.00 178.15 178.85 2nck h ARG 104 N 0.18 0.65 -0.45 2.37 3.08 -1.50 0.36 114.38 119.07 2nck h ARG 104 Ca 0.06 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2nck h ARG 104 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2nck h ARG 104 CO -0.01 0.69 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.30 2nck h LYS 105 N 0.61 0.84 0.05 0.04 1.63 -1.75 -1.59 116.57 116.39 2nck h LYS 105 Ca 0.12 -0.30 -0.26 0.00 -0.85 0.00 0.00 60.65 59.35 2nck h LYS 105 Cb 0.44 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2nck h LYS 105 CO 0.02 0.93 -1.32 -0.44 -3.45 0.00 0.00 179.45 175.19 2nck h ASP 106 N 0.68 0.16 0.00 4.20 3.32 -1.05 -3.42 116.42 120.31 2nck h ASP 106 Ca 0.12 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2nck h ASP 106 Cb 0.60 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2nck h ASP 106 CO 0.04 1.17 -1.11 0.49 -1.72 0.00 0.00 179.24 178.11 2nck n PHE 107 N -3.34 0.00 -1.55 4.55 3.72 0.13 -5.07 117.46 115.89 2nck n PHE 107 Ca -0.09 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 2nck n PHE 107 Cb 1.00 -0.07 0.08 0.00 -0.94 0.00 0.00 39.48 39.55 2nck n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nck s ALA 108 N -2.10 2.22 -0.26 4.37 0.00 -0.60 -4.90 121.76 120.50 2nck s ALA 108 Ca -0.01 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2nck s ALA 108 Cb 0.01 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 2nck s ALA 108 CO 0.08 -1.69 -0.24 2.41 0.00 0.00 0.00 175.76 176.31 2nck n THR 109 N -2.57 1.53 -3.91 0.00 -1.04 -0.46 -4.95 114.28 102.88 2nck n THR 109 Ca 0.13 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 2nck n THR 109 Cb 0.51 -1.79 -0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2nck n THR 109 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2nck s SER 110 N -7.21 0.28 0.41 8.00 1.04 -1.06 -4.96 113.70 110.20 2nck s SER 110 Ca -0.36 -1.21 0.08 0.00 0.48 0.00 0.00 55.95 54.93 2nck s SER 110 Cb 0.12 0.77 0.89 0.00 0.10 0.00 0.00 66.02 67.90 2nck s SER 110 CO 0.53 -1.51 2.05 -0.29 0.98 0.00 0.00 173.24 175.00 2nck h ILE 111 N 2.05 1.08 0.07 -1.02 2.10 -1.96 -2.19 117.51 117.62 2nck h ILE 111 Ca -0.30 -0.18 -0.26 0.00 1.08 0.00 0.00 64.86 65.20 2nck h ILE 111 Cb 1.25 0.50 0.01 0.00 -1.09 0.00 0.00 36.82 37.49 2nck h ILE 111 CO 0.39 0.10 -1.10 0.44 -1.08 0.00 0.00 178.15 176.89 2nck h ASP 112 N 0.53 0.61 -2.50 2.19 3.32 -1.95 -3.34 116.42 115.28 2nck h ASP 112 Ca 0.17 -0.55 -0.68 0.00 0.02 0.00 0.00 57.03 55.99 2nck h ASP 112 Cb 0.01 -0.19 -0.37 0.00 0.22 0.00 0.00 39.33 39.00 2nck h ASP 112 CO -0.04 1.37 -0.08 0.29 -1.72 0.00 0.00 179.24 179.06 2nck n LYS 113 N -3.71 3.23 -1.10 3.56 5.02 -0.87 -4.91 118.16 119.38 2nck n LYS 113 Ca -0.09 -4.63 -0.22 0.00 -2.02 0.00 0.00 58.31 51.35 2nck n LYS 113 Cb 0.92 -2.35 0.15 0.00 -0.02 0.00 0.00 35.03 33.73 2nck n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2nck n ASN 114 N 1.08 4.06 0.00 4.39 6.94 -0.94 -1.35 115.26 129.44 2nck n ASN 114 Ca 0.28 -3.44 0.00 0.00 -0.02 0.00 0.00 54.58 51.40 2nck n ASN 114 Cb 0.38 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 2nck n ASN 114 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2nck n THR 115 N -0.93 0.00 -4.05 5.53 -1.04 -1.26 -4.78 114.28 107.75 2nck n THR 115 Ca 0.53 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.45 2nck n THR 115 Cb 1.45 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.85 2nck n THR 115 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2nck s VAL 116 N 0.00 0.26 0.10 12.58 -7.23 -1.26 -0.12 120.40 124.73 2nck s VAL 116 Ca 0.00 -1.38 0.10 0.00 -1.81 0.00 0.00 61.98 58.89 2nck s VAL 116 Cb 0.00 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2nck s VAL 116 CO 0.00 -0.72 -0.25 -2.28 -0.31 0.00 0.00 175.10 171.55 2nck s HIS 117 N -2.61 2.12 -0.12 2.82 2.46 0.43 -4.91 115.29 115.48 2nck s HIS 117 Ca -0.04 -0.39 -0.11 0.00 0.47 0.00 0.00 55.06 54.99 2nck s HIS 117 Cb -0.02 -1.18 0.03 0.00 -0.13 0.00 0.00 32.58 31.29 2nck s HIS 117 CO -0.05 0.25 0.32 0.20 -2.47 0.00 0.00 174.74 173.00 2nck s GLY 118 N -1.82 -0.24 0.34 1.59 0.00 -1.26 -1.58 107.32 104.35 2nck s GLY 118 Ca 0.11 0.92 -0.28 0.00 0.00 0.00 0.00 44.72 45.46 2nck s GLY 118 CO 0.05 0.80 1.39 1.44 0.00 0.00 0.00 173.10 176.78 2nck n SER 119 N 2.93 3.20 0.14 1.64 7.64 -0.84 -4.91 113.62 123.42 2nck n SER 119 Ca -0.13 1.20 0.04 0.00 1.01 0.00 0.00 58.87 61.00 2nck n SER 119 Cb 0.58 -1.53 0.04 0.00 -1.01 0.00 0.00 64.21 62.28 2nck n SER 119 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2nck h ASP 120 N 3.03 0.00 -5.22 6.43 3.04 -1.93 -3.46 116.42 118.31 2nck h ASP 120 Ca -0.48 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.25 2nck h ASP 120 Cb 1.26 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.45 2nck h ASP 120 CO 0.66 0.40 -0.16 -0.94 -2.04 0.00 0.00 179.24 177.15 2nck s SER 121 N -6.31 -0.08 0.20 4.15 1.04 -1.26 -4.97 113.70 106.47 2nck s SER 121 Ca 0.04 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.57 2nck s SER 121 Cb 0.07 0.53 0.15 0.00 0.10 0.00 0.00 66.02 66.87 2nck s SER 121 CO 0.74 -1.03 1.80 0.25 0.98 0.00 0.00 173.24 175.99 2nck h LEU 122 N 2.35 0.98 -0.28 2.42 6.46 -1.95 0.13 115.31 125.40 2nck h LEU 122 Ca -0.29 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.38 2nck h LEU 122 Cb 1.25 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 2nck h LEU 122 CO 0.41 0.83 0.07 -0.08 -0.62 0.00 0.00 178.44 179.04 2nck h GLU 123 N 1.06 0.18 -0.00 1.25 4.81 -1.99 -2.43 114.58 117.46 2nck h GLU 123 Ca 0.26 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 2nck h GLU 123 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2nck h GLU 123 CO -0.04 0.12 -0.74 -0.91 -0.73 0.00 0.00 179.01 176.71 2nck h ASN 124 N 0.18 0.01 -0.66 1.04 -0.26 -1.87 -3.20 115.58 110.83 2nck h ASN 124 Ca 0.13 -0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2nck h ASN 124 Cb 0.12 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.34 2nck h ASN 124 CO -0.16 0.75 0.41 0.00 -1.06 0.00 0.00 177.43 177.37 2nck h ALA 125 N 1.25 0.85 -0.91 -0.83 0.00 -0.38 0.89 119.26 120.12 2nck h ALA 125 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nck h ALA 125 Cb 1.31 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2nck h ALA 125 CO 0.10 0.18 0.60 0.87 0.00 0.00 0.00 179.25 181.00 2nck h LYS 126 N 0.81 1.15 -0.03 0.00 1.57 -1.44 -0.38 116.57 118.26 2nck h LYS 126 Ca 0.26 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2nck h LYS 126 Cb 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.05 2nck h LYS 126 CO -0.10 0.76 -0.15 0.82 -0.57 0.00 0.00 179.45 180.22 2nck h ILE 127 N 1.19 1.49 -0.85 1.86 2.04 -1.41 -2.62 117.51 119.21 2nck h ILE 127 Ca 0.35 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 2nck h ILE 127 Cb -0.05 2.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2nck h ILE 127 CO -0.09 0.45 0.46 -0.33 0.00 0.00 0.00 178.15 178.64 2nck h GLU 128 N -0.44 1.19 -0.08 2.37 5.08 -0.65 -1.24 114.58 120.81 2nck h GLU 128 Ca -0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2nck h GLU 128 Cb 0.81 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2nck h GLU 128 CO 0.03 0.87 0.01 0.82 -1.00 0.00 0.00 179.01 179.74 2nck h ILE 129 N 1.19 1.23 0.00 3.13 2.04 -1.15 -2.87 117.51 121.07 2nck h ILE 129 Ca 0.30 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2nck h ILE 129 Cb 0.03 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2nck h ILE 129 CO -0.05 0.20 -0.05 0.00 0.00 0.00 0.00 178.15 178.26 2nck h ALA 130 N 0.75 1.60 -0.41 1.87 0.00 -1.27 0.15 119.26 121.95 2nck h ALA 130 Ca 0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2nck h ALA 130 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2nck h ALA 130 CO 0.00 0.06 -0.32 -0.92 0.00 0.00 0.00 179.25 178.07 2nck h TYR 131 N 0.00 1.11 0.00 0.00 3.20 -1.02 -3.35 116.97 116.91 2nck h TYR 131 Ca -0.00 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2nck h TYR 131 Cb 0.10 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2nck h TYR 131 CO 0.00 1.14 -1.00 1.19 -1.64 0.00 0.00 178.16 177.84 2nck n PHE 132 N -4.10 0.00 -3.98 -3.82 3.72 -0.82 -5.02 117.46 103.45 2nck n PHE 132 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 2nck n PHE 132 Cb 0.51 -0.10 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 2nck n PHE 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2nck s PHE 133 N -2.63 0.25 0.47 1.38 0.08 0.47 -5.11 117.98 112.89 2nck s PHE 133 Ca 0.03 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 2nck s PHE 133 Cb 0.11 -0.16 -0.05 0.00 -0.57 0.00 0.00 43.02 42.35 2nck s PHE 133 CO 0.64 -0.08 0.82 1.03 -0.10 0.00 0.00 175.22 177.53 2nck s ARG 134 N -0.72 3.66 0.49 0.44 0.52 -1.26 -4.37 118.95 117.72 2nck s ARG 134 Ca -0.06 0.41 0.16 0.00 -0.52 0.00 0.00 55.73 55.72 2nck s ARG 134 Cb -0.05 -2.33 1.19 0.00 0.52 0.00 0.00 34.95 34.28 2nck s ARG 134 CO -0.00 -0.19 2.09 0.93 0.02 0.00 0.00 175.30 178.15 2nck h GLU 135 N 0.60 0.00 0.00 3.54 4.39 -1.96 -0.94 114.58 120.21 2nck h GLU 135 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2nck h GLU 135 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2nck h GLU 135 CO 0.63 0.08 0.00 0.25 -1.16 0.00 0.00 179.01 178.80 2nck n THR 136 N -4.39 0.12 0.64 1.13 -2.24 -1.26 -2.17 114.28 106.11 2nck n THR 136 Ca -0.03 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2nck n THR 136 Cb 0.16 -0.73 0.09 0.00 -2.10 0.00 0.00 70.33 67.74 2nck n THR 136 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nck n GLU 137 N -1.08 1.59 -4.22 -0.78 1.02 -0.36 -4.91 120.64 111.91 2nck n GLU 137 Ca 0.13 -1.64 -0.34 0.00 -0.02 0.00 0.00 57.16 55.29 2nck n GLU 137 Cb 0.09 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 2nck n GLU 137 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2nck s ILE 138 N -1.44 3.73 -0.14 -3.67 1.01 -0.92 -4.61 121.20 115.16 2nck s ILE 138 Ca 0.22 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2nck s ILE 138 Cb 0.15 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 40.01 2nck s ILE 138 CO 0.22 0.46 0.04 -1.00 0.00 0.00 0.00 174.94 174.66 2nck s HIS 139 N 0.82 0.65 0.62 3.97 3.76 0.63 -5.02 115.29 120.72 2nck s HIS 139 Ca -0.01 -0.45 -0.11 0.00 -0.15 0.00 0.00 55.06 54.34 2nck s HIS 139 Cb -0.14 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 2nck s HIS 139 CO 0.02 -0.48 1.02 0.45 -0.85 0.00 0.00 174.74 174.90 2nck s SER 140 N 1.98 6.20 0.06 1.40 0.15 -1.26 -4.63 113.70 117.60 2nck s SER 140 Ca 0.02 1.38 -0.21 0.00 0.70 0.00 0.00 55.95 57.84 2nck s SER 140 Cb -0.15 -2.44 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2nck s SER 140 CO -0.07 -0.87 0.51 -0.72 1.20 0.00 0.00 173.24 173.28 2nck s TYR 141 N -3.17 -0.40 0.50 3.44 1.13 -1.26 -5.14 117.35 112.45 2nck s TYR 141 Ca 0.55 0.39 -0.18 0.00 -1.41 0.00 0.00 57.07 56.42 2nck s TYR 141 Cb -0.11 0.34 -0.08 0.00 -1.10 0.00 0.00 41.96 41.01 2nck s TYR 141 CO 0.53 -0.66 0.99 -1.25 -2.51 0.00 0.00 175.55 172.65 2nck s PRO 142 N -2.67 3.95 -0.26 -3.49 0.04 -1.26 -5.03 135.00 126.28 2nck s PRO 142 Ca -0.04 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 2nck s PRO 142 Cb -0.00 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2nck s PRO 142 CO -0.04 -0.27 0.22 0.71 0.04 0.00 0.00 177.00 177.66 2nck s TYR 143 N -2.45 3.26 -0.27 0.56 2.02 -1.26 -5.05 117.35 114.16 2nck s TYR 143 Ca 0.61 0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 57.35 2nck s TYR 143 Cb -0.11 -2.38 0.08 0.00 -0.40 0.00 0.00 41.96 39.15 2nck s TYR 143 CO 0.26 -0.09 0.68 1.14 -1.57 0.00 0.00 175.55 175.98 2nck s GLN 144 N 1.55 0.72 0.00 -0.62 -2.07 -1.26 -5.32 119.66 112.66 2nck s GLN 144 Ca 0.09 1.15 0.00 0.00 -1.82 0.00 0.00 55.36 54.78 2nck s GLN 144 Cb -0.15 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 2nck s GLN 144 CO 0.09 -0.14 0.00 1.63 -1.32 0.00 0.00 175.29 175.55