#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2j s PRO 12 N 0.00 4.57 -0.24 0.00 0.04 -1.26 -4.99 135.00 133.12 1s2j s PRO 12 Ca 0.00 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1s2j s PRO 12 Cb 0.00 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.36 1s2j s PRO 12 CO 0.00 0.09 1.03 0.99 0.04 0.00 0.00 177.00 179.15 1s2j s THR 13 N -0.88 4.67 0.09 1.26 2.01 -1.26 -5.00 115.64 116.52 1s2j s THR 13 Ca 0.47 1.95 -0.28 0.00 0.31 0.00 0.00 61.69 64.14 1s2j s THR 13 Cb -0.33 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 1s2j s THR 13 CO 0.41 -0.22 0.90 -0.63 -0.69 0.00 0.00 174.62 174.39 1s2j s ILE 14 N 3.24 4.59 -0.69 1.82 1.01 -1.26 -4.52 121.20 125.40 1s2j s ILE 14 Ca 0.44 1.92 -0.27 0.00 0.00 0.00 0.00 60.65 62.74 1s2j s ILE 14 Cb -0.15 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1s2j s ILE 14 CO 0.07 0.33 1.59 -0.75 0.00 0.00 0.00 174.94 176.19 1s2j s LYS 15 N 0.00 2.90 0.81 2.79 2.47 0.30 -4.94 119.74 124.07 1s2j s LYS 15 Ca 0.44 0.17 -0.12 0.00 -1.56 0.00 0.00 55.97 54.90 1s2j s LYS 15 Cb -0.22 -4.34 0.08 0.00 -1.46 0.00 0.00 37.83 31.90 1s2j s LYS 15 CO 0.27 -2.48 1.16 -0.51 0.16 0.00 0.00 175.35 173.96 1s2j s LEU 16 N 7.53 3.08 0.19 5.43 1.43 -1.26 -0.33 118.68 134.75 1s2j s LEU 16 Ca 0.52 2.19 -0.20 0.00 -1.03 0.00 0.00 54.13 55.61 1s2j s LEU 16 Cb -0.10 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.69 1s2j s LEU 16 CO 0.17 -2.54 1.58 0.50 0.23 0.00 0.00 176.35 176.29 1s2j h LYS 17 N -1.06 -0.14 -0.82 1.70 1.63 -1.90 -0.13 116.57 115.86 1s2j h LYS 17 Ca -0.45 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.38 1s2j h LYS 17 Cb 1.27 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 1s2j h LYS 17 CO 0.47 -0.09 0.54 0.00 -3.45 0.00 0.00 179.45 176.92 1s2j h ARG 18 N -0.14 1.02 0.00 1.90 3.08 -1.92 -1.79 114.38 116.52 1s2j h ARG 18 Ca 0.25 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1s2j h ARG 18 Cb 0.56 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1s2j h ARG 18 CO -0.72 0.67 -0.05 1.96 -1.07 0.00 0.00 179.97 180.76 1s2j h GLN 19 N 1.05 0.00 -0.37 0.04 4.20 -1.36 -0.97 115.11 117.69 1s2j h GLN 19 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1s2j h GLN 19 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1s2j h GLN 19 CO -0.09 0.05 0.00 -2.67 -0.67 0.00 0.00 178.83 175.45 1s2j n TRP 20 N -3.35 0.88 -1.01 2.96 4.27 -0.98 -4.98 117.44 115.22 1s2j n TRP 20 Ca -0.02 -0.68 -0.01 0.00 -3.89 0.00 0.00 57.50 52.91 1s2j n TRP 20 Cb 0.20 -0.19 -0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1s2j n TRP 20 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1s2j n GLY 21 N 0.21 0.45 3.82 -1.67 0.00 -0.37 -4.78 105.19 102.85 1s2j n GLY 21 Ca 0.18 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1s2j n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s2j s GLY 22 N -2.65 2.13 0.37 -0.02 0.00 -0.71 -4.99 107.32 101.46 1s2j s GLY 22 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 44.90 1s2j s GLY 22 CO 0.00 0.63 0.79 0.54 0.00 0.00 0.00 173.10 175.06 1s2j s LYS 23 N -4.00 3.97 0.78 2.90 1.02 -1.26 -4.53 119.74 118.62 1s2j s LYS 23 Ca 0.62 0.70 -0.14 0.00 0.02 0.00 0.00 55.97 57.17 1s2j s LYS 23 Cb -0.14 -2.37 0.06 0.00 -0.52 0.00 0.00 37.83 34.87 1s2j s LYS 23 CO 0.33 0.05 1.19 -2.14 -0.92 0.00 0.00 175.35 173.87 1s2j s PRO 24 N -3.30 1.88 0.48 -1.68 0.02 -1.26 -4.98 135.00 126.16 1s2j s PRO 24 Ca 0.55 1.70 -0.22 0.00 0.02 0.00 0.00 61.00 63.04 1s2j s PRO 24 Cb -0.10 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 1s2j s PRO 24 CO 0.21 -2.02 1.15 0.45 -0.33 0.00 0.00 177.00 176.46 1s2j s SER 25 N -2.23 6.08 0.00 2.53 0.15 -1.26 -4.96 113.70 114.01 1s2j s SER 25 Ca 0.72 2.26 0.28 0.00 0.70 0.00 0.00 55.95 59.91 1s2j s SER 25 Cb -0.27 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.45 1s2j s SER 25 CO 0.49 -0.98 1.73 0.18 1.20 0.00 0.00 173.24 175.86 1s2j n LEU 26 N -0.68 0.60 -3.43 3.45 4.77 0.64 -4.86 117.00 117.50 1s2j n LEU 26 Ca 0.08 -0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1s2j n LEU 26 Cb 0.49 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1s2j n LEU 26 CO 0.46 0.12 0.80 -0.83 -1.33 0.00 0.00 177.39 176.61 1s2j s GLY 27 N -2.57 0.17 -0.16 -0.72 0.00 -1.26 -5.01 107.32 97.76 1s2j s GLY 27 Ca 0.25 3.43 -0.13 0.00 0.00 0.00 0.00 44.72 48.26 1s2j s GLY 27 CO 0.52 3.07 0.28 1.08 0.00 0.00 0.00 173.10 178.04 1s2j s LEU 28 N 1.82 4.24 -0.22 0.66 1.43 -1.26 -4.86 118.68 120.49 1s2j s LEU 28 Ca -0.04 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1s2j s LEU 28 Cb -0.03 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.90 1s2j s LEU 28 CO -0.15 0.11 -0.03 -1.00 0.23 0.00 0.00 176.35 175.51 1s2j s HIS 29 N 0.45 1.99 0.38 0.29 3.76 -1.26 -5.07 115.29 115.84 1s2j s HIS 29 Ca 0.16 -1.48 -0.26 0.00 -0.15 0.00 0.00 55.06 53.33 1s2j s HIS 29 Cb -0.13 -1.42 -0.09 0.00 1.11 0.00 0.00 32.58 32.06 1s2j s HIS 29 CO 0.03 -0.72 1.15 0.71 -0.85 0.00 0.00 174.74 175.06 1s2j s TYR 30 N 1.53 3.14 0.19 1.40 1.51 -1.26 -0.63 117.35 123.22 1s2j s TYR 30 Ca -0.04 1.57 0.02 0.00 -1.01 0.00 0.00 57.07 57.61 1s2j s TYR 30 Cb -0.18 -3.37 -0.03 0.00 -0.11 0.00 0.00 41.96 38.27 1s2j s TYR 30 CO -0.07 -1.19 0.33 -0.65 -1.11 0.00 0.00 175.55 172.87 1s2j s GLN 31 N -2.20 3.45 0.71 -0.62 -0.21 -0.51 -4.79 119.66 115.49 1s2j s GLN 31 Ca 0.55 -0.58 -0.16 0.00 0.02 0.00 0.00 55.36 55.19 1s2j s GLN 31 Cb -0.30 -2.92 0.02 0.00 1.00 0.00 0.00 33.01 30.81 1s2j s GLN 31 CO 0.38 0.47 1.27 0.14 -2.12 0.00 0.00 175.29 175.42 1s2j s VAL 32 N -1.84 2.02 -0.03 1.09 -7.23 -1.26 -4.94 120.40 108.21 1s2j s VAL 32 Ca 0.35 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.56 1s2j s VAL 32 Cb -0.11 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1s2j s VAL 32 CO 0.29 -0.00 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.36 1s2j s ARG 33 N -3.65 1.18 0.83 4.82 3.52 -1.26 -4.05 118.95 120.33 1s2j s ARG 33 Ca 0.79 -0.39 -0.12 0.00 -0.13 0.00 0.00 55.73 55.89 1s2j s ARG 33 Cb -0.35 -1.08 0.09 0.00 -1.56 0.00 0.00 34.95 32.06 1s2j s ARG 33 CO 0.44 0.15 1.13 -1.25 -0.81 0.00 0.00 175.30 174.96 1s2j s PRO 34 N 0.15 1.84 0.05 5.12 0.04 -1.26 -5.14 135.00 135.80 1s2j s PRO 34 Ca -0.03 0.36 -0.13 0.00 0.04 0.00 0.00 61.00 61.24 1s2j s PRO 34 Cb -0.09 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1s2j s PRO 34 CO 0.01 -1.73 0.43 0.42 0.04 0.00 0.00 177.00 176.17 1s2j s ILE 35 N -3.33 5.01 -0.05 0.56 -1.09 -0.35 -4.76 121.20 117.19 1s2j s ILE 35 Ca 0.62 0.73 0.16 0.00 -2.23 0.00 0.00 60.65 59.92 1s2j s ILE 35 Cb -0.13 -3.70 -0.24 0.00 -1.58 0.00 0.00 42.46 36.81 1s2j s ILE 35 CO 0.52 0.43 0.28 -2.11 -1.23 0.00 0.00 174.94 172.84 1s2j n ARG 36 N 1.35 0.75 -5.07 2.79 1.85 -1.24 -0.40 116.66 116.69 1s2j n ARG 36 Ca -0.10 -0.12 -0.32 0.00 -1.00 0.00 0.00 57.85 56.31 1s2j n ARG 36 Cb 0.52 -1.39 -0.15 0.00 -1.05 0.00 0.00 32.46 30.39 1s2j n ARG 36 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1s2j s TYR 37 N -2.95 2.57 -0.18 2.89 1.51 -1.12 -0.47 117.35 119.60 1s2j s TYR 37 Ca -0.06 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1s2j s TYR 37 Cb 0.09 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1s2j s TYR 37 CO 0.67 -0.06 -0.11 0.08 -1.11 0.00 0.00 175.55 175.02 1s2j s VAL 38 N -0.32 2.92 -0.17 0.71 1.01 0.08 -0.01 120.40 124.61 1s2j s VAL 38 Ca 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1s2j s VAL 38 Cb -0.13 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1s2j s VAL 38 CO 0.02 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 174.85 1s2j s VAL 39 N 1.11 3.45 -0.16 2.92 1.01 -0.40 -0.13 120.40 128.20 1s2j s VAL 39 Ca 0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1s2j s VAL 39 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1s2j s VAL 39 CO -0.03 0.48 0.16 -0.63 0.00 0.00 0.00 175.10 175.08 1s2j s ILE 40 N 0.76 5.41 0.24 2.22 -1.09 0.15 -1.19 121.20 127.70 1s2j s ILE 40 Ca -0.03 0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.69 1s2j s ILE 40 Cb -0.15 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1s2j s ILE 40 CO 0.02 0.49 0.01 -1.00 -1.23 0.00 0.00 174.94 173.22 1s2j s HIS 41 N -0.08 1.57 0.31 3.97 3.76 0.18 -1.73 115.29 123.27 1s2j s HIS 41 Ca 0.12 -0.95 0.10 0.00 -0.15 0.00 0.00 55.06 54.18 1s2j s HIS 41 Cb -0.12 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.60 1s2j s HIS 41 CO 0.01 -0.06 -0.05 -3.38 -0.85 0.00 0.00 174.74 170.40 1s2j s HIS 42 N -3.44 2.51 -0.87 1.40 -3.43 -1.26 -0.29 115.29 109.90 1s2j s HIS 42 Ca 0.29 -0.37 0.25 0.00 -0.80 0.00 0.00 55.06 54.43 1s2j s HIS 42 Cb 0.06 -1.29 0.47 0.00 -1.43 0.00 0.00 32.58 30.39 1s2j s HIS 42 CO 0.09 0.58 1.39 0.25 -2.00 0.00 0.00 174.74 175.05 1s2j n THR 43 N -0.85 0.12 -2.98 -5.38 -2.24 -0.93 -4.85 114.28 97.17 1s2j n THR 43 Ca -0.05 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 1s2j n THR 43 Cb 0.61 0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1s2j n THR 43 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1s2j n VAL 44 N -1.71 -1.68 -4.66 2.28 0.31 -0.69 -4.93 118.33 107.25 1s2j n VAL 44 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.07 1s2j n VAL 44 Cb 0.37 -3.08 -0.08 0.00 -0.91 0.00 0.00 33.84 30.13 1s2j n VAL 44 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1s2j s THR 45 N -3.10 1.48 1.11 2.52 -1.32 -1.22 -4.94 115.64 110.17 1s2j s THR 45 Ca 0.27 -1.97 -0.14 0.00 -1.21 0.00 0.00 61.69 58.64 1s2j s THR 45 Cb -0.13 -2.45 0.25 0.00 -1.51 0.00 0.00 72.50 68.66 1s2j s THR 45 CO 0.34 0.00 1.06 -0.83 -2.21 0.00 0.00 174.62 172.98 1s2j s GLY 46 N -3.84 1.55 0.69 6.08 0.00 -1.26 -3.30 107.32 107.24 1s2j s GLY 46 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.44 1s2j s GLY 46 CO 0.09 0.31 0.98 -0.54 0.00 0.00 0.00 173.10 173.94 1s2j s GLU 47 N -4.85 2.07 -0.00 2.90 2.02 -1.26 -3.21 118.70 116.36 1s2j s GLU 47 Ca 0.67 -0.52 -0.22 0.00 0.02 0.00 0.00 54.97 54.93 1s2j s GLU 47 Cb -0.20 -2.24 0.04 0.00 0.10 0.00 0.00 34.13 31.84 1s2j s GLU 47 CO 0.60 -1.25 0.47 0.00 0.02 0.00 0.00 175.26 175.10 1s2j s SER 49 N -1.52 -0.06 0.01 0.00 0.15 -1.26 -1.62 113.70 109.40 1s2j s SER 49 Ca -0.10 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1s2j s SER 49 Cb -0.02 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1s2j s SER 49 CO 0.04 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1s2j n GLY 50 N 3.16 -2.71 0.31 9.45 0.00 -1.26 -4.43 105.19 109.72 1s2j n GLY 50 Ca -0.14 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 1s2j n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s2j h LEU 51 N -0.02 0.84 0.33 0.99 6.46 -1.99 -1.98 115.31 119.94 1s2j h LEU 51 Ca -0.00 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1s2j h LEU 51 Cb 0.03 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1s2j h LEU 51 CO 0.00 0.56 -0.26 0.25 -0.62 0.00 0.00 178.44 178.37 1s2j h LEU 52 N 0.98 -0.68 -0.24 2.25 7.12 -2.00 0.40 115.31 123.14 1s2j h LEU 52 Ca 0.35 0.05 -0.20 0.00 0.13 0.00 0.00 57.88 58.21 1s2j h LEU 52 Cb 0.09 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1s2j h LEU 52 CO -0.14 -0.39 -0.91 0.11 -0.13 0.00 0.00 178.44 176.97 1s2j h LYS 53 N -0.60 0.18 -0.48 1.25 1.79 -1.77 -2.99 116.57 113.95 1s2j h LYS 53 Ca -0.02 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.17 1s2j h LYS 53 Cb 0.52 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1s2j h LYS 53 CO -0.01 0.97 0.05 0.00 -1.08 0.00 0.00 179.45 179.38 1s2j h ALA 55 N 0.95 1.14 0.13 0.00 0.00 -0.22 -1.78 119.26 119.49 1s2j h ALA 55 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s2j h ALA 55 Cb 0.43 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s2j h ALA 55 CO 0.01 0.65 -0.09 1.49 0.00 0.00 0.00 179.25 181.32 1s2j h GLU 56 N 1.19 -0.21 -0.32 0.00 4.81 -1.52 0.56 114.58 119.09 1s2j h GLU 56 Ca 0.29 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1s2j h GLU 56 Cb 0.10 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1s2j h GLU 56 CO -0.04 -0.14 0.14 0.82 -0.73 0.00 0.00 179.01 179.06 1s2j h ILE 57 N -0.22 0.96 -0.67 2.32 2.04 -1.30 -1.32 117.51 119.31 1s2j h ILE 57 Ca -0.01 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1s2j h ILE 57 Cb 0.19 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1s2j h ILE 57 CO 0.00 0.05 0.11 -0.07 0.00 0.00 0.00 178.15 178.25 1s2j h LEU 58 N 0.30 1.07 -0.27 1.44 3.38 -1.20 0.93 115.31 120.95 1s2j h LEU 58 Ca 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1s2j h LEU 58 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1s2j h LEU 58 CO -0.11 1.05 0.05 1.56 0.09 0.00 0.00 178.44 181.08 1s2j h GLN 59 N 1.04 0.44 -0.71 1.13 4.20 -0.67 0.11 115.11 120.65 1s2j h GLN 59 Ca 0.21 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 1s2j h GLN 59 Cb 0.44 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1s2j h GLN 59 CO 0.01 0.54 0.18 -0.91 -0.67 0.00 0.00 178.83 177.98 1s2j h ASN 60 N 0.26 1.07 -0.36 1.46 2.35 -1.04 -1.74 115.58 117.58 1s2j h ASN 60 Ca 0.08 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1s2j h ASN 60 Cb 0.31 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1s2j h ASN 60 CO 0.00 1.02 0.06 -0.03 -1.65 0.00 0.00 177.43 176.83 1s2j h MET 61 N 1.08 0.60 -0.18 0.81 4.05 -0.64 -0.17 114.93 120.47 1s2j h MET 61 Ca 0.22 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1s2j h MET 61 Cb 0.36 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1s2j h MET 61 CO 0.00 0.67 0.08 0.37 0.23 0.00 0.00 176.91 178.26 1s2j h GLN 62 N 0.44 0.27 -0.44 0.39 4.15 -0.72 0.37 115.11 119.57 1s2j h GLN 62 Ca 0.11 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.56 1s2j h GLN 62 Cb 0.36 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.94 1s2j h GLN 62 CO 0.01 0.33 0.05 0.00 -1.93 0.00 0.00 178.83 177.29 1s2j h ALA 63 N 0.92 0.45 -0.75 3.38 0.00 -1.23 0.48 119.26 122.52 1s2j h ALA 63 Ca 0.06 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1s2j h ALA 63 Cb 0.16 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1s2j h ALA 63 CO -0.01 -0.35 0.46 -0.92 0.00 0.00 0.00 179.25 178.43 1s2j h TYR 64 N 0.17 0.86 -0.31 0.00 3.20 -0.79 0.30 116.97 120.39 1s2j h TYR 64 Ca 0.22 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1s2j h TYR 64 Cb 0.30 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1s2j h TYR 64 CO -0.25 0.47 -0.11 0.45 -1.64 0.00 0.00 178.16 177.08 1s2j h HIS 65 N 0.88 0.70 -0.08 -3.82 3.86 0.15 -0.76 115.15 116.08 1s2j h HIS 65 Ca 0.31 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 1s2j h HIS 65 Cb 0.08 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.39 1s2j h HIS 65 CO -0.04 0.82 -0.41 1.96 0.86 0.00 0.00 177.93 181.12 1s2j h GLN 66 N 0.38 0.41 0.00 2.45 4.20 0.08 -0.25 115.11 122.38 1s2j h GLN 66 Ca 0.07 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1s2j h GLN 66 Cb 0.61 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1s2j h GLN 66 CO 0.04 0.98 -0.22 -0.91 -0.67 0.00 0.00 178.83 178.05 1s2j h ASN 67 N -0.05 0.00 0.44 1.46 -0.26 -0.47 -3.27 115.58 113.43 1s2j h ASN 67 Ca -0.03 -0.71 -0.30 0.00 -0.56 0.00 0.00 56.30 54.70 1s2j h ASN 67 Cb 1.06 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.30 1s2j h ASN 67 CO 0.08 0.98 -1.65 -0.33 -1.06 0.00 0.00 177.43 175.45 1s2j h GLU 68 N -1.00 0.14 -0.01 0.81 4.39 -1.30 -3.37 114.58 114.24 1s2j h GLU 68 Ca -0.05 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1s2j h GLU 68 Cb 0.85 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1s2j h GLU 68 CO -0.03 0.89 -0.38 1.28 -1.16 0.00 0.00 179.01 179.61 1s2j n LEU 69 N -3.30 1.87 -1.96 1.33 4.77 -0.83 -4.97 117.00 113.91 1s2j n LEU 69 Ca -0.18 -0.66 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 1s2j n LEU 69 Cb 1.04 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 42.06 1s2j n LEU 69 CO 0.47 0.34 -0.23 0.47 -1.33 0.00 0.00 177.39 177.11 1s2j n ASP 70 N -0.05 -5.61 -4.86 -1.43 9.92 -0.96 -4.97 116.55 108.58 1s2j n ASP 70 Ca 0.11 0.22 -0.31 0.00 -0.53 0.00 0.00 54.79 54.27 1s2j n ASP 70 Cb 0.45 -4.75 -0.00 0.00 -0.64 0.00 0.00 41.12 36.18 1s2j n ASP 70 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1s2j s PHE 71 N -2.89 3.58 0.27 1.24 2.99 -0.15 -4.98 117.98 118.05 1s2j s PHE 71 Ca 0.00 1.34 0.18 0.00 0.00 0.00 0.00 56.93 58.44 1s2j s PHE 71 Cb 0.00 -2.74 0.78 0.00 0.00 0.00 0.00 43.02 41.05 1s2j s PHE 71 CO 0.00 -0.61 1.80 -0.91 -0.00 0.00 0.00 175.22 175.50 1s2j h ASN 72 N 0.01 0.00 -5.04 1.36 -0.26 -1.89 -3.37 115.58 106.39 1s2j h ASN 72 Ca -0.45 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.26 1s2j h ASN 72 Cb 1.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 1s2j h ASN 72 CO 0.62 0.36 0.23 -0.62 -1.06 0.00 0.00 177.43 176.96 1s2j s ASP 73 N -6.57 0.06 0.11 5.81 3.68 -1.26 -0.26 116.67 118.23 1s2j s ASP 73 Ca -0.01 -1.13 -0.36 0.00 2.13 0.00 0.00 52.55 53.18 1s2j s ASP 73 Cb 0.12 0.83 -0.15 0.00 -1.45 0.00 0.00 42.92 42.27 1s2j s ASP 73 CO 0.69 -1.64 1.45 0.00 0.13 0.00 0.00 175.17 175.81 1s2j n ILE 74 N -0.53 0.02 -0.07 4.11 3.06 -1.26 -4.63 119.36 120.06 1s2j n ILE 74 Ca -0.07 -0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.27 1s2j n ILE 74 Cb 0.60 -1.14 0.47 0.00 0.54 0.00 0.00 39.64 40.11 1s2j n ILE 74 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1s2j h SER 75 N 5.24 0.41 -3.61 9.51 4.64 -1.92 -3.37 113.55 124.46 1s2j h SER 75 Ca -0.47 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.35 1s2j h SER 75 Cb 1.30 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1s2j h SER 75 CO 0.83 0.26 0.02 -0.31 -0.87 0.00 0.00 176.83 176.77 1s2j s TYR 76 N -5.43 3.41 0.13 4.77 1.51 -1.26 -0.96 117.35 119.51 1s2j s TYR 76 Ca -0.08 1.11 -0.13 0.00 -1.01 0.00 0.00 57.07 56.96 1s2j s TYR 76 Cb 0.19 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1s2j s TYR 76 CO 0.74 0.17 1.50 -0.91 -1.11 0.00 0.00 175.55 175.95 1s2j h ASN 77 N 2.43 0.87 -5.10 2.29 2.35 -0.67 -0.81 115.58 116.94 1s2j h ASN 77 Ca -0.48 -0.41 -0.13 0.00 -0.55 0.00 0.00 56.30 54.73 1s2j h ASN 77 Cb 1.17 -0.24 -0.18 0.00 0.05 0.00 0.00 38.32 39.13 1s2j h ASN 77 CO 0.67 1.09 -0.58 -0.36 -1.65 0.00 0.00 177.43 176.60 1s2j s PHE 78 N -4.61 0.27 0.01 1.19 0.40 -0.77 -0.51 117.98 113.95 1s2j s PHE 78 Ca -0.12 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 1s2j s PHE 78 Cb 0.11 -0.19 -0.01 0.00 0.51 0.00 0.00 43.02 43.43 1s2j s PHE 78 CO 0.84 -0.34 -0.04 -0.51 0.70 0.00 0.00 175.22 175.87 1s2j s LEU 79 N -2.17 2.08 -0.11 -0.37 1.02 0.18 -1.65 118.68 117.67 1s2j s LEU 79 Ca -0.05 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 53.93 1s2j s LEU 79 Cb -0.01 -0.12 0.01 0.00 0.02 0.00 0.00 46.19 46.10 1s2j s LEU 79 CO -0.05 -0.05 -0.17 -0.63 0.02 0.00 0.00 176.35 175.47 1s2j s ILE 80 N -0.48 1.62 0.49 -0.59 1.01 -0.01 0.45 121.20 123.69 1s2j s ILE 80 Ca -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1s2j s ILE 80 Cb -0.04 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.99 1s2j s ILE 80 CO -0.00 0.46 0.69 -0.83 0.00 0.00 0.00 174.94 175.26 1s2j s GLY 81 N 0.83 1.80 0.51 6.18 0.00 -0.96 -1.00 107.32 114.68 1s2j s GLY 81 Ca -0.09 -1.38 0.24 0.00 0.00 0.00 0.00 44.72 43.49 1s2j s GLY 81 CO 0.00 -1.15 1.97 -0.57 0.00 0.00 0.00 173.10 173.35 1s2j h ASN 82 N 0.32 0.08 0.21 1.64 -0.00 -1.58 0.11 115.58 116.36 1s2j h ASN 82 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.88 1s2j h ASN 82 Cb 1.28 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1s2j h ASN 82 CO 0.51 0.04 0.00 -0.90 -0.00 0.00 0.00 177.43 177.08 1s2j n ASP 83 N -4.38 0.19 -0.08 1.15 3.85 -1.26 -4.27 116.55 111.75 1s2j n ASP 83 Ca 0.12 0.57 -0.01 0.00 -0.71 0.00 0.00 54.79 54.76 1s2j n ASP 83 Cb 0.64 -0.60 -0.00 0.00 -1.35 0.00 0.00 41.12 39.81 1s2j n ASP 83 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s2j n GLY 84 N -0.92 0.49 3.89 6.12 0.00 0.39 -4.82 105.19 110.34 1s2j n GLY 84 Ca 0.01 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1s2j n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s2j s ILE 85 N -2.00 5.34 -0.28 -0.61 -5.25 -1.26 -4.67 121.20 112.47 1s2j s ILE 85 Ca 0.00 0.13 -0.16 0.00 -0.99 0.00 0.00 60.65 59.63 1s2j s ILE 85 Cb 0.00 -3.55 -0.03 0.00 2.95 0.00 0.00 42.46 41.83 1s2j s ILE 85 CO 0.00 0.39 0.41 -0.69 -1.79 0.00 0.00 174.94 173.26 1s2j s VAL 86 N -1.27 5.14 -0.22 8.37 1.01 -1.26 -2.26 120.40 129.91 1s2j s VAL 86 Ca 0.26 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 1s2j s VAL 86 Cb -0.13 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1s2j s VAL 86 CO 0.15 0.08 0.17 -0.31 0.00 0.00 0.00 175.10 175.19 1s2j s TYR 87 N 2.15 3.37 0.04 5.22 1.51 0.17 -0.54 117.35 129.27 1s2j s TYR 87 Ca 0.16 0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.23 1s2j s TYR 87 Cb -0.16 -2.24 -0.07 0.00 -0.11 0.00 0.00 41.96 39.38 1s2j s TYR 87 CO 0.10 0.17 1.54 -2.00 -1.11 0.00 0.00 175.55 174.25 1s2j s GLU 88 N 0.74 4.23 0.00 -0.62 2.12 0.56 -0.65 118.70 125.09 1s2j s GLU 88 Ca 0.09 2.18 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1s2j s GLU 88 Cb -0.12 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1s2j s GLU 88 CO 0.02 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 1s2j n GLY 89 N 3.84 0.18 0.23 -1.50 0.00 0.07 -4.42 105.19 103.58 1s2j n GLY 89 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1s2j n GLY 89 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s2j h THR 90 N 0.00 0.32 -0.25 2.61 2.02 -0.78 -3.46 112.91 113.37 1s2j h THR 90 Ca 0.00 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.15 1s2j h THR 90 Cb 0.00 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1s2j h THR 90 CO 0.00 0.15 -0.04 0.61 0.37 0.00 0.00 175.52 176.60 1s2j n GLY 91 N 0.44 -1.35 3.77 2.16 0.00 0.33 -4.61 105.19 105.93 1s2j n GLY 91 Ca 0.01 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1s2j n GLY 91 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s2j s TRP 92 N -1.14 2.86 0.00 1.61 0.23 -1.26 -3.77 118.94 117.46 1s2j s TRP 92 Ca 0.00 1.36 0.00 0.00 -2.03 0.00 0.00 56.10 55.43 1s2j s TRP 92 Cb 0.00 -3.76 0.00 0.00 0.03 0.00 0.00 33.47 29.74 1s2j s TRP 92 CO 0.00 -2.21 0.00 0.41 0.96 0.00 0.00 176.95 176.11 1s2j n GLY 93 N 0.68 0.80 3.12 0.98 0.00 -1.26 -5.01 105.19 104.50 1s2j n GLY 93 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1s2j n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s2j s LEU 94 N 0.00 1.93 0.00 0.99 1.43 -1.25 -1.43 118.68 120.36 1s2j s LEU 94 Ca 0.00 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1s2j s LEU 94 Cb 0.00 -0.87 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1s2j s LEU 94 CO 0.00 0.15 1.47 -0.60 0.23 0.00 0.00 176.35 177.60 1s2j s ARG 95 N -0.06 4.25 0.00 1.70 3.52 0.19 -4.77 118.95 123.79 1s2j s ARG 95 Ca -0.01 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1s2j s ARG 95 Cb -0.10 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1s2j s ARG 95 CO 0.01 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.27 1s2j n GLY 96 N 3.76 1.22 2.29 8.12 0.00 -1.26 -4.77 105.19 114.54 1s2j n GLY 96 Ca 0.14 -1.77 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 1s2j n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s2j n ALA 97 N -3.00 2.74 0.01 4.61 0.00 -0.14 -4.83 120.51 119.90 1s2j n ALA 97 Ca 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 53.44 51.37 1s2j n ALA 97 Cb 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 1s2j n ALA 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1s2j n HIS 98 N -0.49 0.97 -3.52 0.00 1.44 -1.15 -4.86 115.22 107.61 1s2j n HIS 98 Ca -0.03 0.34 -0.16 0.00 -2.01 0.00 0.00 57.72 55.86 1s2j n HIS 98 Cb 0.89 -1.12 -0.12 0.00 0.12 0.00 0.00 29.99 29.75 1s2j n HIS 98 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1s2j s THR 99 N -2.79 -0.37 -0.01 0.61 2.01 -1.26 -5.05 115.64 108.79 1s2j s THR 99 Ca -0.04 -0.01 -0.36 0.00 0.31 0.00 0.00 61.69 61.59 1s2j s THR 99 Cb 0.08 -0.63 -0.14 0.00 0.01 0.00 0.00 72.50 71.82 1s2j s THR 99 CO 0.82 -0.12 1.65 0.00 -0.69 0.00 0.00 174.62 176.28 1s2j n TYR 100 N 5.33 2.09 -0.81 4.92 9.36 -1.26 -0.65 117.16 136.14 1s2j n TYR 100 Ca -0.05 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.48 1s2j n TYR 100 Cb 0.50 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 1s2j n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s2j n GLY 101 N 3.66 1.14 0.39 2.98 0.00 -1.26 -4.82 105.19 107.28 1s2j n GLY 101 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1s2j n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s2j n TYR 102 N -2.00 0.00 0.02 1.61 4.02 0.18 -4.78 117.16 116.21 1s2j n TYR 102 Ca 0.00 -0.16 -0.20 0.00 -0.01 0.00 0.00 57.90 57.53 1s2j n TYR 102 Cb 0.00 -0.06 -0.14 0.00 -0.02 0.00 0.00 39.34 39.12 1s2j n TYR 102 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1s2j h ASN 103 N 0.00 0.38 -0.31 7.72 2.35 -1.78 -2.14 115.58 121.80 1s2j h ASN 103 Ca 0.00 -0.92 -0.15 0.00 -0.55 0.00 0.00 56.30 54.68 1s2j h ASN 103 Cb 1.30 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1s2j h ASN 103 CO 0.00 1.40 -0.35 0.00 -1.65 0.00 0.00 177.43 176.82 1s2j h ALA 104 N 0.02 0.68 -0.18 -0.83 0.00 -1.88 -3.31 119.26 113.77 1s2j h ALA 104 Ca -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1s2j h ALA 104 Cb 1.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1s2j h ALA 104 CO 0.10 0.67 0.00 0.44 0.00 0.00 0.00 179.25 180.46 1s2j n ILE 105 N -4.06 0.35 -4.27 0.00 -5.35 -1.26 -4.48 119.36 100.29 1s2j n ILE 105 Ca -0.02 -0.68 -0.17 0.00 -0.27 0.00 0.00 62.75 61.62 1s2j n ILE 105 Cb 0.52 1.03 -0.11 0.00 -1.74 0.00 0.00 39.64 39.34 1s2j n ILE 105 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s2j s GLY 106 N -1.19 1.15 -0.30 3.28 0.00 -0.81 -2.80 107.32 106.66 1s2j s GLY 106 Ca 0.23 -1.42 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 1s2j s GLY 106 CO 0.20 -1.50 0.08 -1.59 0.00 0.00 0.00 173.10 170.30 1s2j s THR 107 N -2.61 3.98 -0.22 0.90 2.01 0.98 -4.68 115.64 115.99 1s2j s THR 107 Ca 0.14 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 1s2j s THR 107 Cb -0.02 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1s2j s THR 107 CO 0.03 0.07 0.49 -0.83 -0.69 0.00 0.00 174.62 173.69 1s2j s GLY 108 N 1.50 1.98 -0.17 4.40 0.00 -1.26 -1.27 107.32 112.50 1s2j s GLY 108 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1s2j s GLY 108 CO 0.03 1.08 -0.16 -0.42 0.00 0.00 0.00 173.10 173.63 1s2j s ILE 109 N 1.83 1.78 -0.14 0.90 1.01 -0.33 0.04 121.20 126.29 1s2j s ILE 109 Ca 0.22 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1s2j s ILE 109 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1s2j s ILE 109 CO 0.09 0.44 -0.06 0.00 0.00 0.00 0.00 174.94 175.41 1s2j s ALA 110 N 1.39 2.93 -0.00 9.38 0.00 -0.66 -0.65 121.76 134.16 1s2j s ALA 110 Ca 0.04 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 1s2j s ALA 110 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1s2j s ALA 110 CO -0.11 0.26 0.84 -0.06 0.00 0.00 0.00 175.76 176.69 1s2j s PHE 111 N 0.23 3.66 -0.28 0.00 0.40 0.60 -0.83 117.98 121.76 1s2j s PHE 111 Ca -0.04 1.51 -0.29 0.00 -0.60 0.00 0.00 56.93 57.52 1s2j s PHE 111 Cb -0.14 -2.95 0.01 0.00 0.51 0.00 0.00 43.02 40.45 1s2j s PHE 111 CO 0.03 0.10 1.13 0.42 0.70 0.00 0.00 175.22 177.60 1s2j s ILE 112 N 0.64 4.45 -3.67 0.64 1.01 -0.17 -2.19 121.20 121.91 1s2j s ILE 112 Ca 0.44 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.78 1s2j s ILE 112 Cb -0.20 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1s2j s ILE 112 CO 0.24 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1s2j n GLY 113 N 3.82 0.81 2.88 6.18 0.00 -1.20 -4.55 105.19 113.14 1s2j n GLY 113 Ca 0.13 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 1s2j n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s2j s ASN 114 N -4.00 3.39 -0.29 1.61 3.84 -1.21 -1.71 114.94 116.57 1s2j s ASN 114 Ca 0.00 -0.97 0.08 0.00 0.21 0.00 0.00 52.86 52.17 1s2j s ASN 114 Cb 0.00 -0.97 0.45 0.00 -0.55 0.00 0.00 41.25 40.18 1s2j s ASN 114 CO 0.00 -0.24 1.28 0.49 -2.79 0.00 0.00 177.10 175.84 1s2j n PHE 115 N 4.81 1.89 0.04 0.43 3.01 -1.26 -4.59 117.46 121.79 1s2j n PHE 115 Ca -0.11 -2.02 -0.12 0.00 1.01 0.00 0.00 57.45 56.20 1s2j n PHE 115 Cb 0.46 -0.40 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 1s2j n PHE 115 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1s2j h VAL 116 N 1.67 1.05 -0.01 -4.37 2.07 -1.82 -2.53 116.25 112.31 1s2j h VAL 116 Ca 0.27 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1s2j h VAL 116 Cb 1.36 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1s2j h VAL 116 CO 0.57 0.05 -0.16 0.47 0.02 0.00 0.00 177.57 178.52 1s2j n ASP 117 N -5.06 1.60 -4.03 0.57 10.43 -1.26 -1.93 116.55 116.87 1s2j n ASP 117 Ca -0.07 -1.30 -0.10 0.00 2.57 0.00 0.00 54.79 55.89 1s2j n ASP 117 Cb 0.08 0.31 -0.07 0.00 1.84 0.00 0.00 41.12 43.27 1s2j n ASP 117 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 1s2j s LYS 118 N -1.38 1.22 0.31 -1.24 -2.85 -1.26 -4.98 119.74 109.57 1s2j s LYS 118 Ca 0.12 -1.29 -0.00 0.00 -1.00 0.00 0.00 55.97 53.79 1s2j s LYS 118 Cb 0.10 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1s2j s LYS 118 CO 0.25 -0.44 0.52 -0.51 0.10 0.00 0.00 175.35 175.27 1s2j s LEU 119 N -3.02 4.06 0.97 2.77 1.02 -1.26 -4.33 118.68 118.90 1s2j s LEU 119 Ca 0.22 0.46 -0.12 0.00 0.02 0.00 0.00 54.13 54.72 1s2j s LEU 119 Cb 0.04 -3.30 0.17 0.00 0.02 0.00 0.00 46.19 43.12 1s2j s LEU 119 CO 0.04 -0.23 1.08 -2.84 0.02 0.00 0.00 176.35 174.42 1s2j s PRO 120 N -4.05 0.66 0.77 1.29 0.02 -1.26 -5.01 135.00 127.42 1s2j s PRO 120 Ca 0.40 0.88 -0.14 0.00 0.02 0.00 0.00 61.00 62.16 1s2j s PRO 120 Cb -0.10 -1.73 0.06 0.00 0.02 0.00 0.00 34.50 32.75 1s2j s PRO 120 CO 0.34 -2.67 1.18 -1.54 -0.33 0.00 0.00 177.00 173.98 1s2j s SER 121 N -3.14 3.97 0.29 2.53 1.04 -1.26 -4.76 113.70 112.35 1s2j s SER 121 Ca 0.65 2.27 0.03 0.00 0.48 0.00 0.00 55.95 59.38 1s2j s SER 121 Cb -0.20 -2.58 0.64 0.00 0.10 0.00 0.00 66.02 63.98 1s2j s SER 121 CO 0.59 -2.41 1.78 0.44 0.98 0.00 0.00 173.24 174.62 1s2j h ASP 122 N -0.69 0.72 -0.71 7.02 3.32 -1.95 -1.36 116.42 122.77 1s2j h ASP 122 Ca -0.46 0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.70 1s2j h ASP 122 Cb 1.28 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1s2j h ASP 122 CO 0.48 0.29 0.46 0.00 -1.72 0.00 0.00 179.24 178.75 1s2j h ALA 123 N 1.60 0.92 -0.14 3.45 0.00 -1.91 -0.52 119.26 122.66 1s2j h ALA 123 Ca 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1s2j h ALA 123 Cb 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1s2j h ALA 123 CO -0.36 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.23 1s2j h ALA 124 N 1.29 0.18 -1.00 0.00 0.00 -1.46 -0.01 119.26 118.26 1s2j h ALA 124 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s2j h ALA 124 Cb -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1s2j h ALA 124 CO -0.09 -0.28 0.66 -0.07 0.00 0.00 0.00 179.25 179.47 1s2j h LEU 125 N 0.13 1.14 -0.29 0.00 3.38 -1.11 -1.82 115.31 116.73 1s2j h LEU 125 Ca 0.05 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 1s2j h LEU 125 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1s2j h LEU 125 CO -0.01 0.82 -0.65 -0.61 0.09 0.00 0.00 178.44 178.08 1s2j h GLN 126 N 1.34 0.77 -0.94 1.13 5.75 -0.90 -2.90 115.11 119.36 1s2j h GLN 126 Ca 0.37 -0.54 0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1s2j h GLN 126 Cb -0.13 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1s2j h GLN 126 CO -0.09 1.17 0.61 0.00 -2.65 0.00 0.00 178.83 177.87 1s2j h ALA 127 N 0.70 1.25 -0.04 3.38 0.00 -0.75 -0.96 119.26 122.85 1s2j h ALA 127 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s2j h ALA 127 Cb 1.25 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1s2j h ALA 127 CO 0.13 0.48 0.02 0.00 0.00 0.00 0.00 179.25 179.88 1s2j h ALA 128 N 1.39 0.05 -0.87 0.00 0.00 -1.27 0.16 119.26 118.73 1s2j h ALA 128 Ca 0.38 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1s2j h ALA 128 Cb 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1s2j h ALA 128 CO -0.12 -0.40 0.55 0.87 0.00 0.00 0.00 179.25 180.15 1s2j h LYS 129 N -0.04 1.02 -0.40 0.00 1.57 -1.31 -1.39 116.57 116.03 1s2j h LYS 129 Ca 0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1s2j h LYS 129 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1s2j h LYS 129 CO -0.00 0.68 0.07 -0.44 -0.57 0.00 0.00 179.45 179.19 1s2j h ASP 130 N 1.05 0.62 -0.84 0.86 3.32 -0.92 -1.45 116.42 119.06 1s2j h ASP 130 Ca 0.36 -0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.23 1s2j h ASP 130 Cb 0.06 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 1s2j h ASP 130 CO -0.13 0.72 0.50 0.25 -1.72 0.00 0.00 179.24 178.86 1s2j h LEU 131 N 0.50 0.75 -0.27 1.55 5.85 -0.11 -0.14 115.31 123.44 1s2j h LEU 131 Ca 0.12 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 1s2j h LEU 131 Cb 0.36 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1s2j h LEU 131 CO 0.01 0.45 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.27 1s2j h LEU 132 N 0.87 0.65 -0.63 2.25 3.38 -1.01 -1.04 115.31 119.77 1s2j h LEU 132 Ca 0.39 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1s2j h LEU 132 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1s2j h LEU 132 CO -0.21 0.96 0.21 0.00 0.09 0.00 0.00 178.44 179.49 1s2j h ALA 133 N 0.70 0.83 -0.53 1.53 0.00 -0.96 -1.75 119.26 119.07 1s2j h ALA 133 Ca 0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1s2j h ALA 133 Cb 0.76 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1s2j h ALA 133 CO 0.06 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.71 1s2j h GLY 135 N 0.96 1.31 0.71 0.00 0.00 -1.02 0.12 103.07 105.15 1s2j h GLY 135 Ca 0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1s2j h GLY 135 CO 0.04 0.40 0.00 -2.08 0.00 0.00 0.00 176.54 174.91 1s2j h VAL 136 N 1.16 1.24 -0.99 4.60 2.07 -1.16 0.51 116.25 123.67 1s2j h VAL 136 Ca 0.36 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1s2j h VAL 136 Cb -0.01 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1s2j h VAL 136 CO -0.10 0.18 0.64 -0.61 0.02 0.00 0.00 177.57 177.70 1s2j h GLN 137 N -0.27 1.16 -0.00 1.57 4.15 -0.80 -1.59 115.11 119.33 1s2j h GLN 137 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1s2j h GLN 137 Cb 0.30 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1s2j h GLN 137 CO 0.00 0.77 -0.13 1.04 -1.93 0.00 0.00 178.83 178.58 1s2j n GLN 138 N -4.49 0.63 -0.90 1.69 6.02 0.38 -4.92 117.38 115.80 1s2j n GLN 138 Ca 0.14 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1s2j n GLN 138 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1s2j n GLN 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s2j n GLY 139 N 1.31 0.50 0.15 1.08 0.00 -0.60 -4.94 105.19 102.69 1s2j n GLY 139 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1s2j n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s2j h GLU 140 N 0.75 0.20 -6.20 1.61 4.39 -0.25 -3.39 114.58 111.68 1s2j h GLU 140 Ca 0.00 -0.16 -0.59 0.00 0.34 0.00 0.00 59.36 58.95 1s2j h GLU 140 Cb 0.00 0.03 -0.24 0.00 -0.10 0.00 0.00 28.75 28.44 1s2j h GLU 140 CO 0.00 0.82 -0.84 -0.51 -1.16 0.00 0.00 179.01 177.32 1s2j s LEU 141 N -7.70 2.22 0.37 1.33 1.43 -0.54 -1.21 118.68 114.59 1s2j s LEU 141 Ca -0.03 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 1s2j s LEU 141 Cb 0.11 -0.98 -0.11 0.00 0.03 0.00 0.00 46.19 45.24 1s2j s LEU 141 CO 0.81 0.13 1.37 -1.20 0.23 0.00 0.00 176.35 177.69 1s2j n SER 142 N 1.53 3.16 0.19 2.29 7.64 0.47 -4.41 113.62 124.48 1s2j n SER 142 Ca -0.18 1.20 0.17 0.00 1.01 0.00 0.00 58.87 61.06 1s2j n SER 142 Cb 0.53 -1.55 0.80 0.00 -1.01 0.00 0.00 64.21 62.99 1s2j n SER 142 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1s2j h GLU 143 N 2.61 0.00 -0.81 1.43 5.08 -1.91 0.52 114.58 121.49 1s2j h GLU 143 Ca -0.48 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.32 1s2j h GLU 143 Cb 1.27 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.20 1s2j h GLU 143 CO 0.63 0.00 0.09 -0.40 -1.00 0.00 0.00 179.01 178.32 1s2j n ASP 144 N -3.91 5.72 -4.54 1.42 5.75 -1.26 -5.05 116.55 114.68 1s2j n ASP 144 Ca 0.02 -3.77 -0.41 0.00 -0.01 0.00 0.00 54.79 50.62 1s2j n ASP 144 Cb 0.33 -0.68 0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1s2j n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s2j n TYR 145 N -0.88 0.32 -3.49 2.11 0.18 0.17 -4.99 117.16 110.57 1s2j n TYR 145 Ca 0.52 0.55 -0.37 0.00 1.88 0.00 0.00 57.90 60.48 1s2j n TYR 145 Cb 0.88 -2.10 -0.07 0.00 -0.38 0.00 0.00 39.34 37.67 1s2j n TYR 145 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1s2j s ALA 146 N -1.41 3.58 -0.25 -3.48 0.00 0.39 -4.75 121.76 115.84 1s2j s ALA 146 Ca 0.65 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 1s2j s ALA 146 Cb -0.55 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1s2j s ALA 146 CO 0.56 -0.03 0.29 -1.17 0.00 0.00 0.00 175.76 175.41 1s2j s LEU 147 N 0.74 4.09 0.11 0.00 2.96 0.08 -0.74 118.68 125.91 1s2j s LEU 147 Ca 0.17 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 1s2j s LEU 147 Cb -0.14 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1s2j s LEU 147 CO 0.05 -0.07 -0.09 0.27 -1.32 0.00 0.00 176.35 175.19 1s2j s ILE 148 N 1.55 0.95 0.18 6.68 -4.36 0.82 -1.83 121.20 125.20 1s2j s ILE 148 Ca 0.13 -1.82 -0.17 0.00 -0.26 0.00 0.00 60.65 58.52 1s2j s ILE 148 Cb -0.15 -1.56 -0.08 0.00 1.25 0.00 0.00 42.46 41.92 1s2j s ILE 148 CO 0.08 -0.68 0.64 0.00 0.24 0.00 0.00 174.94 175.22 1s2j s ALA 149 N -2.94 3.50 0.35 2.27 0.00 -1.26 0.31 121.76 123.98 1s2j s ALA 149 Ca 0.10 0.03 0.13 0.00 0.00 0.00 0.00 51.96 52.22 1s2j s ALA 149 Cb 0.00 -2.68 0.99 0.00 0.00 0.00 0.00 23.12 21.44 1s2j s ALA 149 CO -0.01 0.39 1.73 0.78 0.00 0.00 0.00 175.76 178.65 1s2j h GLY 150 N 3.54 1.71 2.00 0.00 0.00 -1.37 -1.71 103.07 107.24 1s2j h GLY 150 Ca -0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1s2j h GLY 150 CO 0.65 -0.25 -0.03 1.48 0.00 0.00 0.00 176.54 178.39 1s2j h SER 151 N 0.48 0.00 0.68 0.19 4.64 -0.70 -2.04 113.55 116.79 1s2j h SER 151 Ca 0.65 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.95 1s2j h SER 151 Cb 1.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1s2j h SER 151 CO -0.44 0.03 -0.10 1.56 -0.87 0.00 0.00 176.83 177.01 1s2j h GLN 152 N 0.00 0.00 0.00 4.77 4.20 -1.60 -3.39 115.11 119.09 1s2j h GLN 152 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s2j h GLN 152 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1s2j h GLN 152 CO 0.00 0.10 -0.14 1.33 -0.67 0.00 0.00 178.83 179.45 1s2j n VAL 153 N -3.34 0.00 -4.34 -0.54 0.24 -0.85 -4.77 118.33 104.74 1s2j n VAL 153 Ca -0.01 -0.14 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 1s2j n VAL 153 Cb 0.29 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.30 1s2j n VAL 153 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s2j s ILE 154 N -0.57 0.97 -0.98 1.34 -4.36 -0.83 -4.73 121.20 112.05 1s2j s ILE 154 Ca 0.00 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.15 1s2j s ILE 154 Cb 0.00 -2.44 0.07 0.00 1.25 0.00 0.00 42.46 41.34 1s2j s ILE 154 CO 0.00 -0.24 1.35 -0.55 0.24 0.00 0.00 174.94 175.74 1s2j s SER 155 N -3.33 6.52 0.20 4.36 0.15 -1.26 -4.47 113.70 115.88 1s2j s SER 155 Ca 0.31 -1.58 -0.21 0.00 0.70 0.00 0.00 55.95 55.16 1s2j s SER 155 Cb 0.06 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1s2j s SER 155 CO 0.10 -1.39 0.62 0.28 1.20 0.00 0.00 173.24 174.05 1s2j s THR 156 N 4.34 0.01 -0.47 6.45 -1.32 -1.26 -5.04 115.64 118.34 1s2j s THR 156 Ca 0.42 -0.44 0.22 0.00 -1.21 0.00 0.00 61.69 60.67 1s2j s THR 156 Cb -0.02 -1.40 -0.20 0.00 -1.51 0.00 0.00 72.50 69.37 1s2j s THR 156 CO -0.09 -0.03 0.83 0.00 -2.21 0.00 0.00 174.62 173.13 1s2j n GLN 157 N -0.39 0.38 -1.66 7.08 1.13 -1.26 -4.33 117.38 118.32 1s2j n GLN 157 Ca -0.12 -0.05 -0.45 0.00 -1.94 0.00 0.00 57.00 54.44 1s2j n GLN 157 Cb 0.63 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 1s2j n GLN 157 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1s2j n SER 158 N -2.03 2.60 -1.05 1.08 2.88 -1.26 -0.15 113.62 115.69 1s2j n SER 158 Ca 0.00 1.15 0.04 0.00 -1.33 0.00 0.00 58.87 58.73 1s2j n SER 158 Cb 0.47 -1.41 0.20 0.00 -0.75 0.00 0.00 64.21 62.71 1s2j n SER 158 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s2j n PRO 159 N 1.90 2.65 0.00 -1.46 -0.04 -1.25 -0.10 135.00 136.70 1s2j n PRO 159 Ca 0.11 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1s2j n PRO 159 Cb 0.31 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1s2j n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s2j n GLY 160 N 0.57 1.96 0.23 0.55 0.00 0.78 -4.21 105.19 105.08 1s2j n GLY 160 Ca 0.14 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.70 1s2j n GLY 160 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s2j h LEU 161 N 0.00 -0.17 -0.35 0.99 6.46 -1.68 0.40 115.31 120.96 1s2j h LEU 161 Ca 0.00 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1s2j h LEU 161 Cb 0.00 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1s2j h LEU 161 CO 0.00 -0.07 0.22 0.74 -0.62 0.00 0.00 178.44 178.70 1s2j h THR 162 N 0.16 1.11 -0.34 1.05 2.02 -1.31 0.15 112.91 115.75 1s2j h THR 162 Ca 0.32 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 67.13 1s2j h THR 162 Cb 0.51 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1s2j h THR 162 CO -0.48 0.11 -0.33 0.25 0.37 0.00 0.00 175.52 175.44 1s2j h LEU 163 N 0.45 0.78 -1.02 2.58 6.46 -0.67 -1.90 115.31 122.01 1s2j h LEU 163 Ca 0.12 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1s2j h LEU 163 Cb -0.01 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.66 1s2j h LEU 163 CO -0.02 1.04 0.48 0.22 -0.62 0.00 0.00 178.44 179.54 1s2j h TYR 164 N 0.63 1.14 -0.16 1.25 -0.00 0.07 -1.61 116.97 118.29 1s2j h TYR 164 Ca 0.07 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.73 58.68 1s2j h TYR 164 Cb 0.86 -0.37 -0.01 0.00 -0.00 0.00 0.00 36.73 37.21 1s2j h TYR 164 CO 0.04 0.78 -0.33 -0.91 -0.00 0.00 0.00 178.16 177.74 1s2j h ASN 165 N 1.18 0.33 0.46 -2.11 2.35 -0.24 -2.72 115.58 114.83 1s2j h ASN 165 Ca 0.30 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1s2j h ASN 165 Cb -0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1s2j h ASN 165 CO -0.05 0.65 -0.22 -0.08 -1.65 0.00 0.00 177.43 176.07 1s2j h GLU 166 N 0.28 -0.60 0.00 0.81 4.57 -0.66 -3.35 114.58 115.63 1s2j h GLU 166 Ca 0.04 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1s2j h GLU 166 Cb 0.72 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1s2j h GLU 166 CO 0.06 -0.31 -0.25 -0.84 -1.18 0.00 0.00 179.01 176.49 1s2j h ILE 167 N -0.83 0.54 0.00 2.32 3.07 -1.16 -2.46 117.51 118.99 1s2j h ILE 167 Ca -0.06 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.07 1s2j h ILE 167 Cb 0.56 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 1s2j h ILE 167 CO 0.10 0.24 0.00 0.00 -1.05 0.00 0.00 178.15 177.44 1s2j n GLN 168 N -3.32 0.07 -0.00 0.16 10.64 -1.04 -1.26 117.38 122.63 1s2j n GLN 168 Ca 0.01 0.26 0.10 0.00 -1.83 0.00 0.00 57.00 55.53 1s2j n GLN 168 Cb 0.49 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.25 1s2j n GLN 168 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1s2j n GLU 169 N -1.32 0.13 -2.33 2.61 1.02 -0.92 -4.87 120.64 114.95 1s2j n GLU 169 Ca 0.03 -0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.82 1s2j n GLU 169 Cb 0.05 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1s2j n GLU 169 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1s2j s TRP 170 N -2.99 2.94 0.72 -0.32 0.52 -0.39 -5.01 118.94 114.40 1s2j s TRP 170 Ca 0.07 1.55 -0.15 0.00 0.02 0.00 0.00 56.10 57.59 1s2j s TRP 170 Cb 0.16 -3.08 0.03 0.00 -1.15 0.00 0.00 33.47 29.43 1s2j s TRP 170 CO 0.86 -1.04 1.21 -2.14 0.02 0.00 0.00 176.95 175.86 1s2j s PRO 171 N -3.52 2.20 0.00 4.98 0.02 -1.26 -2.95 135.00 134.48 1s2j s PRO 171 Ca 0.67 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1s2j s PRO 171 Cb -0.17 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1s2j s PRO 171 CO 0.27 -1.79 0.00 0.72 -0.33 0.00 0.00 177.00 175.87 1s2j n HIS 172 N -2.62 0.00 -1.66 6.54 8.25 -1.26 -4.88 115.22 119.59 1s2j n HIS 172 Ca 0.14 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.14 1s2j n HIS 172 Cb 0.50 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 1s2j n HIS 172 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1s2j n TRP 173 N -2.00 2.06 -4.77 4.41 -0.00 -1.15 -0.74 117.44 115.24 1s2j n TRP 173 Ca 0.00 0.43 -0.33 0.00 -0.00 0.00 0.00 57.50 57.61 1s2j n TRP 173 Cb 0.00 -2.45 -0.16 0.00 -0.00 0.00 0.00 31.31 28.70 1s2j n TRP 173 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1s2j s LEU 174 N 0.36 2.34 0.18 5.87 0.20 -0.76 -4.82 118.68 122.06 1s2j s LEU 174 Ca 0.72 -0.50 0.20 0.00 0.69 0.00 0.00 54.13 55.24 1s2j s LEU 174 Cb -0.70 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1s2j s LEU 174 CO 0.47 0.11 1.04 0.77 -0.29 0.00 0.00 176.35 178.46 1s2j h SER 175 N 7.07 0.00 -1.35 3.68 4.64 -1.93 -3.40 113.55 122.25 1s2j h SER 175 Ca -0.28 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.53 1s2j h SER 175 Cb 1.21 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 1s2j h SER 175 CO 0.54 0.26 -0.89 -0.46 -0.87 0.00 0.00 176.83 175.41 1s2j n ASN 176 N -2.84 3.59 -4.77 4.97 6.94 -1.26 -5.09 115.26 116.80 1s2j n ASN 176 Ca -0.03 -3.38 -0.35 0.00 -0.02 0.00 0.00 54.58 50.80 1s2j n ASN 176 Cb 0.67 -0.48 0.02 0.00 -2.36 0.00 0.00 39.78 37.63 1s2j n ASN 176 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1s2j s PRO 177 N -3.39 3.18 0.15 -0.53 0.04 -1.26 -4.95 135.00 128.24 1s2j s PRO 177 Ca 0.41 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1s2j s PRO 177 Cb 0.42 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.90 1s2j s PRO 177 CO -0.11 -0.99 1.20 -1.58 0.04 0.00 0.00 177.00 175.56 1s2j s HIS 178 N -1.82 3.43 -2.10 0.56 2.46 -1.26 -4.91 115.29 111.65 1s2j s HIS 178 Ca 0.73 1.38 0.31 0.00 0.47 0.00 0.00 55.06 57.95 1s2j s HIS 178 Cb -0.25 -3.43 1.73 0.00 -0.13 0.00 0.00 32.58 30.50 1s2j s HIS 178 CO 0.30 -1.25 2.13 0.72 -2.47 0.00 0.00 174.74 174.17