#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwy s PRO 6 N 0.00 2.68 0.14 1.61 0.02 -1.26 -4.72 135.00 133.47 2pwy s PRO 6 Ca 0.00 1.25 0.08 0.00 0.02 0.00 0.00 61.00 62.36 2pwy s PRO 6 Cb 0.00 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 2pwy s PRO 6 CO 0.00 -1.33 -0.11 -0.51 -0.33 0.00 0.00 177.00 174.72 2pwy s LEU 7 N -5.26 2.94 -0.12 -5.54 1.43 0.61 -4.31 118.68 108.42 2pwy s LEU 7 Ca 0.64 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2pwy s LEU 7 Cb -0.18 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 2pwy s LEU 7 CO 0.47 0.14 -0.19 -0.22 0.23 0.00 0.00 176.35 176.79 2pwy s LEU 8 N -2.50 2.37 -0.15 1.79 2.96 0.15 -0.45 118.68 122.85 2pwy s LEU 8 Ca 0.22 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2pwy s LEU 8 Cb -0.10 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2pwy s LEU 8 CO 0.14 0.14 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.54 2pwy s LEU 9 N 0.46 3.45 -0.10 -0.68 1.43 0.33 -0.69 118.68 122.88 2pwy s LEU 9 Ca -0.13 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2pwy s LEU 9 Cb -0.17 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2pwy s LEU 9 CO 0.06 0.22 -0.21 -0.54 0.23 0.00 0.00 176.35 176.10 2pwy s LYS 10 N 0.09 3.05 0.13 1.70 1.02 -0.27 -0.28 119.74 125.17 2pwy s LYS 10 Ca 0.01 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.18 2pwy s LYS 10 Cb -0.13 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.83 2pwy s LYS 10 CO 0.02 0.24 0.18 -0.40 -0.92 0.00 0.00 175.35 174.46 2pwy n ASP 11 N 3.39 0.22 0.11 2.83 5.68 -0.24 -0.61 116.55 127.93 2pwy n ASP 11 Ca -0.18 -1.19 -0.03 0.00 -0.50 0.00 0.00 54.79 52.89 2pwy n ASP 11 Cb 0.53 -0.12 0.13 0.00 -1.14 0.00 0.00 41.12 40.53 2pwy n ASP 11 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2pwy h ARG 12 N 0.00 0.10 -0.95 0.11 -0.00 -1.89 -3.14 114.38 108.60 2pwy h ARG 12 Ca -0.06 -0.07 -0.19 0.00 -0.00 0.00 0.00 59.98 59.66 2pwy h ARG 12 Cb 0.21 0.01 -0.11 0.00 -0.00 0.00 0.00 29.97 30.08 2pwy h ARG 12 CO 0.06 0.70 0.24 0.36 -0.00 0.00 0.00 179.97 181.33 2pwy n LYS 13 N -3.81 1.88 0.00 0.08 -0.00 -1.26 -4.88 118.16 110.18 2pwy n LYS 13 Ca -0.02 -1.42 0.00 0.00 -0.00 0.00 0.00 58.31 56.87 2pwy n LYS 13 Cb 0.64 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 2pwy n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pwy n GLY 14 N -0.14 2.53 3.76 2.58 0.00 -1.19 -4.99 105.19 107.75 2pwy n GLY 14 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 2pwy n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pwy s ARG 15 N 0.00 4.32 0.13 1.61 3.03 -1.26 -4.70 118.95 122.08 2pwy s ARG 15 Ca 0.00 2.25 0.11 0.00 2.03 0.00 0.00 55.73 60.11 2pwy s ARG 15 Cb 0.00 -3.09 -0.04 0.00 -1.03 0.00 0.00 34.95 30.79 2pwy s ARG 15 CO 0.00 -0.28 -0.26 0.00 -1.13 0.00 0.00 175.30 173.63 2pwy s ALA 16 N -0.71 2.34 -0.04 7.88 0.00 -1.26 -1.08 121.76 128.89 2pwy s ALA 16 Ca 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2pwy s ALA 16 Cb -0.40 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.38 2pwy s ALA 16 CO 0.49 0.51 -0.01 0.71 0.00 0.00 0.00 175.76 177.47 2pwy s TYR 17 N -1.11 0.52 -0.09 0.00 2.02 0.61 -4.96 117.35 114.35 2pwy s TYR 17 Ca 0.14 -0.09 -0.21 0.00 -0.37 0.00 0.00 57.07 56.53 2pwy s TYR 17 Cb -0.10 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2pwy s TYR 17 CO 0.06 -0.20 0.61 -1.17 -1.57 0.00 0.00 175.55 173.28 2pwy s LEU 18 N 1.25 4.30 -0.05 -1.29 2.96 -1.26 -0.51 118.68 124.08 2pwy s LEU 18 Ca -0.06 1.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 2pwy s LEU 18 Cb -0.13 -2.93 -0.00 0.00 0.50 0.00 0.00 46.19 43.63 2pwy s LEU 18 CO -0.02 -0.07 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.09 2pwy s VAL 19 N 0.71 1.43 -0.47 1.68 1.01 0.40 -4.99 120.40 120.18 2pwy s VAL 19 Ca 0.33 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2pwy s VAL 19 Cb -0.17 -1.24 0.12 0.00 0.00 0.00 0.00 36.38 35.09 2pwy s VAL 19 CO 0.15 0.41 0.34 -0.36 0.00 0.00 0.00 175.10 175.64 2pwy s PHE 20 N 0.15 3.45 0.14 5.22 0.08 -1.26 -0.29 117.98 125.46 2pwy s PHE 20 Ca -0.06 -1.95 -0.31 0.00 0.12 0.00 0.00 56.93 54.73 2pwy s PHE 20 Cb -0.13 -3.47 -0.09 0.00 -0.57 0.00 0.00 43.02 38.77 2pwy s PHE 20 CO 0.03 -0.99 1.44 -2.14 -0.10 0.00 0.00 175.22 173.45 2pwy s PRO 21 N 1.31 4.29 0.06 0.24 0.02 -1.26 -5.04 135.00 134.61 2pwy s PRO 21 Ca 0.06 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.26 2pwy s PRO 21 Cb -0.26 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 2pwy s PRO 21 CO -0.01 -0.47 -0.06 -1.59 -0.33 0.00 0.00 177.00 174.53 2pwy s LYS 22 N 0.98 0.61 0.19 5.54 -2.85 -1.26 -5.08 119.74 117.87 2pwy s LYS 22 Ca 0.65 -0.96 -0.33 0.00 -1.00 0.00 0.00 55.97 54.33 2pwy s LYS 22 Cb -0.39 -0.17 -0.13 0.00 -2.06 0.00 0.00 37.83 35.08 2pwy s LYS 22 CO 0.31 0.00 1.62 -1.91 0.10 0.00 0.00 175.35 175.48 2pwy n GLU 23 N 0.88 2.39 -1.12 1.78 2.13 -1.26 -1.01 120.64 124.44 2pwy n GLU 23 Ca -0.19 0.86 -0.04 0.00 0.66 0.00 0.00 57.16 58.45 2pwy n GLU 23 Cb 0.57 -2.66 -0.02 0.00 0.27 0.00 0.00 31.44 29.61 2pwy n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pwy n GLY 24 N 3.51 0.59 3.82 8.31 0.00 -1.26 -4.99 105.19 115.16 2pwy n GLY 24 Ca 0.16 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2pwy n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwy s GLY 25 N -2.29 2.40 -0.07 -0.02 0.00 -0.18 -4.96 107.32 102.20 2pwy s GLY 25 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 2pwy s GLY 25 CO 0.00 0.71 -0.03 0.14 0.00 0.00 0.00 173.10 173.93 2pwy s VAL 26 N -2.15 0.55 -0.06 1.40 1.01 -1.26 -0.52 120.40 119.36 2pwy s VAL 26 Ca 0.63 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 2pwy s VAL 26 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2pwy s VAL 26 CO 0.14 0.27 1.09 0.12 0.00 0.00 0.00 175.10 176.73 2pwy s PHE 27 N 1.67 3.40 -0.16 5.22 5.36 0.15 -4.93 117.98 128.70 2pwy s PHE 27 Ca 0.01 1.44 0.02 0.00 -0.96 0.00 0.00 56.93 57.44 2pwy s PHE 27 Cb -0.13 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.28 2pwy s PHE 27 CO -0.05 -0.70 -0.20 -1.58 -1.46 0.00 0.00 175.22 171.24 2pwy s HIS 28 N 1.89 2.64 0.34 10.12 2.46 -1.26 -1.07 115.29 130.42 2pwy s HIS 28 Ca 0.52 -1.45 0.04 0.00 0.47 0.00 0.00 55.06 54.64 2pwy s HIS 28 Cb -0.22 -1.82 -0.06 0.00 -0.13 0.00 0.00 32.58 30.35 2pwy s HIS 28 CO 0.22 -0.70 0.06 -1.58 -2.47 0.00 0.00 174.74 170.26 2pwy s HIS 29 N 1.09 2.01 0.39 3.88 2.46 0.57 -5.02 115.29 120.67 2pwy s HIS 29 Ca -0.01 -0.95 0.10 0.00 0.47 0.00 0.00 55.06 54.67 2pwy s HIS 29 Cb -0.14 -1.33 0.88 0.00 -0.13 0.00 0.00 32.58 31.86 2pwy s HIS 29 CO -0.08 0.03 1.94 0.45 -2.47 0.00 0.00 174.74 174.62 2pwy h HIS 30 N 2.03 0.64 -0.51 3.88 3.86 -2.05 -1.65 115.15 121.36 2pwy h HIS 30 Ca -0.41 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 58.62 2pwy h HIS 30 Cb 1.25 -0.21 -0.12 0.00 1.06 0.00 0.00 27.41 29.39 2pwy h HIS 30 CO 0.69 0.30 0.25 1.63 0.86 0.00 0.00 177.93 181.65 2pwy n LYS 31 N -4.49 2.37 0.00 2.45 5.02 -1.26 -5.02 118.16 117.22 2pwy n LYS 31 Ca 0.12 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 2pwy n LYS 31 Cb 0.37 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2pwy n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwy n GLY 32 N -0.17 0.11 3.16 0.72 0.00 -0.62 -4.20 105.19 104.20 2pwy n GLY 32 Ca 0.29 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 2pwy n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pwy s SER 33 N -4.00 1.49 -0.05 1.61 1.04 -1.26 -0.32 113.70 112.21 2pwy s SER 33 Ca 0.00 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2pwy s SER 33 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.13 2pwy s SER 33 CO 0.00 -0.18 -0.03 -0.69 0.98 0.00 0.00 173.24 173.32 2pwy s VAL 34 N -1.89 0.46 0.47 5.02 1.01 -0.23 -4.27 120.40 120.97 2pwy s VAL 34 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 2pwy s VAL 34 Cb -0.06 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.71 2pwy s VAL 34 CO 0.01 0.23 1.43 -2.84 0.00 0.00 0.00 175.10 173.93 2pwy s PRO 35 N 1.30 3.55 0.51 2.72 0.02 -1.26 -0.67 135.00 141.17 2pwy s PRO 35 Ca -0.05 2.42 0.22 0.00 0.02 0.00 0.00 61.00 63.60 2pwy s PRO 35 Cb -0.13 -2.57 1.34 0.00 0.02 0.00 0.00 34.50 33.15 2pwy s PRO 35 CO -0.02 -0.93 2.09 0.45 -0.33 0.00 0.00 177.00 178.26 2pwy h HIS 36 N 2.12 0.00 -0.56 6.54 3.86 -1.10 -1.99 115.15 124.02 2pwy h HIS 36 Ca -0.51 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.64 2pwy h HIS 36 Cb 1.27 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.72 2pwy h HIS 36 CO 0.49 0.10 0.11 0.93 0.86 0.00 0.00 177.93 180.42 2pwy h GLU 37 N 0.00 0.89 -0.42 2.45 3.07 -1.85 -2.01 114.58 116.71 2pwy h GLU 37 Ca -0.00 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.57 2pwy h GLU 37 Cb 0.22 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2pwy h GLU 37 CO 0.01 0.81 -0.11 0.00 -1.40 0.00 0.00 179.01 178.33 2pwy h ALA 38 N 1.27 1.01 -0.37 3.43 0.00 -1.73 -1.57 119.26 121.31 2pwy h ALA 38 Ca 0.18 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2pwy h ALA 38 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pwy h ALA 38 CO 0.00 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.76 2pwy h LEU 39 N 0.69 0.65 -0.85 0.00 3.38 -1.39 -1.86 115.31 115.92 2pwy h LEU 39 Ca 0.12 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2pwy h LEU 39 Cb 0.58 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2pwy h LEU 39 CO 0.04 0.81 0.39 -0.07 0.09 0.00 0.00 178.44 179.70 2pwy h LEU 40 N 0.47 1.12 -0.74 1.67 3.38 -1.22 -2.68 115.31 117.31 2pwy h LEU 40 Ca 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pwy h LEU 40 Cb 0.48 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2pwy h LEU 40 CO 0.02 0.95 0.00 -0.33 0.09 0.00 0.00 178.44 179.17 2pwy h GLU 41 N 1.21 0.00 -0.18 1.13 5.08 -1.21 -3.32 114.58 117.30 2pwy h GLU 41 Ca 0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2pwy h GLU 41 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2pwy h GLU 41 CO -0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.81 2pwy h ALA 42 N 2.02 1.40 -0.38 3.43 0.00 -0.97 -3.50 119.26 121.27 2pwy h ALA 42 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2pwy h ALA 42 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2pwy h ALA 42 CO 0.00 0.42 -0.10 0.41 0.00 0.00 0.00 179.25 179.98 2pwy n GLY 43 N -0.74 -1.97 3.66 0.00 0.00 -1.25 -4.01 105.19 100.88 2pwy n GLY 43 Ca -0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2pwy n GLY 43 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pwy s PRO 44 N -2.07 4.19 0.00 1.61 0.02 -1.26 -2.14 135.00 135.34 2pwy s PRO 44 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2pwy s PRO 44 Cb 0.00 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.60 2pwy s PRO 44 CO 0.00 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 2pwy n GLY 45 N 3.98 0.61 3.88 0.52 0.00 0.51 -5.03 105.19 109.65 2pwy n GLY 45 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2pwy n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwy s GLY 46 N -1.99 1.63 0.10 -0.02 0.00 -0.91 -4.73 107.32 101.39 2pwy s GLY 46 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 44.72 44.48 2pwy s GLY 46 CO 0.00 0.04 -0.25 -1.34 0.00 0.00 0.00 173.10 171.55 2pwy s VAL 47 N -3.35 2.33 0.22 1.40 -7.23 -1.26 -0.10 120.40 112.41 2pwy s VAL 47 Ca 0.58 -1.59 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 2pwy s VAL 47 Cb -0.11 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2pwy s VAL 47 CO 0.52 0.19 -0.17 0.68 -0.31 0.00 0.00 175.10 176.00 2pwy s VAL 48 N -0.99 2.01 -0.06 1.32 -7.23 0.36 -4.98 120.40 110.84 2pwy s VAL 48 Ca 0.14 -2.21 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 2pwy s VAL 48 Cb -0.10 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.76 2pwy s VAL 48 CO 0.05 -0.46 -0.14 0.00 -0.31 0.00 0.00 175.10 174.24 2pwy s ARG 49 N -3.39 1.80 0.84 4.82 1.70 -1.26 -0.36 118.95 123.09 2pwy s ARG 49 Ca 0.23 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 54.88 2pwy s ARG 49 Cb -0.03 -1.49 0.09 0.00 -0.57 0.00 0.00 34.95 32.95 2pwy s ARG 49 CO 0.09 0.11 1.09 0.95 -1.08 0.00 0.00 175.30 176.46 2pwy s THR 50 N 0.42 2.93 0.55 4.99 -4.23 -0.03 -4.93 115.64 115.34 2pwy s THR 50 Ca -0.11 0.30 0.27 0.00 -1.18 0.00 0.00 61.69 60.97 2pwy s THR 50 Cb -0.14 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.13 2pwy s THR 50 CO 0.04 -0.40 2.20 0.45 -0.54 0.00 0.00 174.62 176.37 2pwy h HIS 51 N -1.30 0.00 -0.00 3.99 3.86 -1.87 -1.72 115.15 118.11 2pwy h HIS 51 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2pwy h HIS 51 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2pwy h HIS 51 CO 0.46 0.03 -0.04 1.28 0.86 0.00 0.00 177.93 180.52 2pwy n LEU 52 N -3.93 0.09 0.00 2.43 4.77 -1.26 -4.91 117.00 114.19 2pwy n LEU 52 Ca -0.03 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2pwy n LEU 52 Cb 0.12 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2pwy n LEU 52 CO 0.29 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2pwy n GLY 53 N 1.35 0.79 3.67 -0.72 0.00 -0.65 -5.03 105.19 104.61 2pwy n GLY 53 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2pwy n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwy s GLU 54 N -0.93 4.26 -0.17 1.61 2.02 -1.26 -4.82 118.70 119.42 2pwy s GLU 54 Ca 0.00 1.72 -0.18 0.00 0.02 0.00 0.00 54.97 56.53 2pwy s GLU 54 Cb 0.00 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2pwy s GLU 54 CO 0.00 -0.64 0.49 -2.00 0.02 0.00 0.00 175.26 173.13 2pwy s GLU 55 N 3.14 4.24 -0.07 1.61 2.12 -1.26 -0.85 118.70 127.64 2pwy s GLU 55 Ca 0.57 0.40 0.03 0.00 0.36 0.00 0.00 54.97 56.33 2pwy s GLU 55 Cb -0.24 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.65 2pwy s GLU 55 CO 0.18 -0.03 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.23 2pwy s LEU 56 N 1.23 1.71 0.18 2.70 1.43 0.51 -4.09 118.68 122.35 2pwy s LEU 56 Ca 0.24 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 2pwy s LEU 56 Cb -0.15 -0.91 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 2pwy s LEU 56 CO 0.10 0.05 0.54 -0.94 0.23 0.00 0.00 176.35 176.33 2pwy s SER 57 N 0.62 6.73 -0.13 2.29 1.04 0.22 -0.49 113.70 123.98 2pwy s SER 57 Ca -0.15 0.99 -0.01 0.00 0.48 0.00 0.00 55.95 57.26 2pwy s SER 57 Cb -0.16 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 2pwy s SER 57 CO 0.04 0.03 -0.09 -0.69 0.98 0.00 0.00 173.24 173.51 2pwy s VAL 58 N -1.62 3.43 0.03 5.02 1.01 0.86 -1.12 120.40 128.02 2pwy s VAL 58 Ca 0.42 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2pwy s VAL 58 Cb -0.13 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 2pwy s VAL 58 CO 0.20 0.52 0.13 -1.00 0.00 0.00 0.00 175.10 174.95 2pwy s HIS 59 N 0.22 0.13 -0.12 5.22 3.76 0.13 -0.36 115.29 124.27 2pwy s HIS 59 Ca -0.06 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.23 2pwy s HIS 59 Cb -0.15 -0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 2pwy s HIS 59 CO 0.04 -0.37 0.80 -0.98 -0.85 0.00 0.00 174.74 173.38 2pwy s ARG 60 N -2.35 4.36 0.42 1.40 3.03 -1.26 0.32 118.95 124.88 2pwy s ARG 60 Ca -0.07 0.99 -0.25 0.00 2.03 0.00 0.00 55.73 58.44 2pwy s ARG 60 Cb -0.02 -3.52 -0.08 0.00 -1.03 0.00 0.00 34.95 30.29 2pwy s ARG 60 CO -0.03 -0.17 1.20 -1.25 -1.13 0.00 0.00 175.30 173.92 2pwy s PRO 61 N 1.60 3.91 0.90 3.89 0.04 -1.26 -4.85 135.00 139.23 2pwy s PRO 61 Ca 0.39 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 2pwy s PRO 61 Cb -0.17 -2.59 0.13 0.00 0.04 0.00 0.00 34.50 31.91 2pwy s PRO 61 CO 0.16 -0.46 1.09 0.95 0.04 0.00 0.00 177.00 178.78 2pwy s THR 62 N -1.42 2.60 0.22 1.26 -4.23 -1.26 -4.81 115.64 108.01 2pwy s THR 62 Ca 0.60 0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 2pwy s THR 62 Cb -0.32 -2.69 0.17 0.00 1.34 0.00 0.00 72.50 71.00 2pwy s THR 62 CO 0.40 -0.25 1.87 0.25 -0.54 0.00 0.00 174.62 176.35 2pwy h LEU 63 N -1.57 0.85 -0.19 4.79 5.85 -1.99 0.11 115.31 123.15 2pwy h LEU 63 Ca -0.50 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.26 2pwy h LEU 63 Cb 1.29 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2pwy h LEU 63 CO 0.55 0.60 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.06 2pwy h GLU 64 N 1.00 -0.09 -0.47 1.25 4.81 -1.99 -0.32 114.58 118.77 2pwy h GLU 64 Ca 0.30 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2pwy h GLU 64 Cb -0.04 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2pwy h GLU 64 CO -0.09 -0.06 0.31 0.93 -0.73 0.00 0.00 179.01 179.36 2pwy h GLU 65 N -0.10 0.63 0.23 1.92 5.08 -1.82 -2.59 114.58 117.93 2pwy h GLU 65 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2pwy h GLU 65 Cb 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2pwy h GLU 65 CO -0.25 0.43 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.12 2pwy h TYR 66 N 0.64 -0.37 -0.71 4.33 3.20 -0.47 -2.47 116.97 121.12 2pwy h TYR 66 Ca 0.17 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.19 2pwy h TYR 66 Cb -0.06 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.24 2pwy h TYR 66 CO -0.04 -0.22 0.17 -0.07 -1.64 0.00 0.00 178.16 176.36 2pwy h LEU 67 N -0.36 0.02 -1.24 2.82 4.07 -0.98 0.12 115.31 119.75 2pwy h LEU 67 Ca -0.02 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2pwy h LEU 67 Cb 0.30 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2pwy h LEU 67 CO 0.02 -0.02 0.00 -0.07 -1.08 0.00 0.00 178.44 177.29 2pwy h LEU 68 N 0.28 0.00 0.00 1.67 3.38 -1.18 -3.33 115.31 116.13 2pwy h LEU 68 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2pwy h LEU 68 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2pwy h LEU 68 CO -0.49 0.00 -0.61 1.41 0.09 0.00 0.00 178.44 178.84 2pwy n HIS 69 N -3.08 0.00 -1.62 1.13 8.25 -0.71 -5.05 115.22 114.13 2pwy n HIS 69 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2pwy n HIS 69 Cb 0.34 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.50 2pwy n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pwy s MET 70 N -1.66 2.42 0.32 -0.41 0.23 0.33 -4.77 119.30 115.75 2pwy s MET 70 Ca -0.00 1.78 -0.29 0.00 -1.03 0.00 0.00 55.69 56.14 2pwy s MET 70 Cb 0.01 -1.86 -0.12 0.00 -1.53 0.00 0.00 34.83 31.33 2pwy s MET 70 CO 0.06 -1.63 1.48 1.17 -2.03 0.00 0.00 175.02 174.07 2pwy n LYS 71 N -2.36 2.49 -5.27 3.16 4.81 -1.26 -5.00 118.16 114.73 2pwy n LYS 71 Ca 0.13 0.88 -0.31 0.00 -0.87 0.00 0.00 58.31 58.14 2pwy n LYS 71 Cb 0.50 -2.59 -0.16 0.00 0.02 0.00 0.00 35.03 32.79 2pwy n LYS 71 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2pwy s ARG 72 N -1.16 2.50 0.00 1.64 0.52 -1.26 -4.97 118.95 116.21 2pwy s ARG 72 Ca 0.60 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2pwy s ARG 72 Cb -0.53 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 32.80 2pwy s ARG 72 CO 0.55 0.40 0.00 -1.13 0.02 0.00 0.00 175.30 175.14 2pwy n SER 73 N 2.89 0.00 -4.83 0.23 3.41 -1.26 -4.97 113.62 109.09 2pwy n SER 73 Ca -0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.11 2pwy n SER 73 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2pwy n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwy s ALA 74 N -4.01 3.11 0.13 7.33 0.00 -1.26 -5.00 121.76 122.06 2pwy s ALA 74 Ca 0.00 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 2pwy s ALA 74 Cb 0.00 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 2pwy s ALA 74 CO 0.00 0.15 1.80 0.99 0.00 0.00 0.00 175.76 178.70 2pwy s THR 75 N -2.17 2.50 0.71 0.00 2.01 -1.26 -4.22 115.64 113.21 2pwy s THR 75 Ca 0.60 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.56 2pwy s THR 75 Cb -0.09 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2pwy s THR 75 CO 0.16 0.00 1.07 -2.16 -0.69 0.00 0.00 174.62 173.00 2pwy s PRO 76 N 2.52 2.77 0.20 4.92 0.04 -1.26 -4.87 135.00 139.32 2pwy s PRO 76 Ca 0.80 1.02 -0.33 0.00 0.04 0.00 0.00 61.00 62.53 2pwy s PRO 76 Cb -0.46 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 2pwy s PRO 76 CO 0.36 -1.24 1.47 2.41 0.04 0.00 0.00 177.00 180.04 2pwy n THR 77 N -3.21 0.52 -2.20 1.26 -1.04 -1.26 -4.96 114.28 103.39 2pwy n THR 77 Ca 0.08 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 2pwy n THR 77 Cb 0.53 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 2pwy n THR 77 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2pwy s TYR 78 N 0.36 2.91 0.28 -1.42 2.02 -1.26 -4.70 117.35 115.55 2pwy s TYR 78 Ca 0.73 1.51 0.01 0.00 -0.37 0.00 0.00 57.07 58.95 2pwy s TYR 78 Cb -0.68 -3.48 0.66 0.00 -0.40 0.00 0.00 41.96 38.07 2pwy s TYR 78 CO 0.45 -1.64 1.68 -1.35 -1.57 0.00 0.00 175.55 173.12 2pwy h PRO 79 N 2.42 0.33 -0.37 -1.71 0.11 -1.92 0.06 132.00 130.92 2pwy h PRO 79 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2pwy h PRO 79 Cb 1.24 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2pwy h PRO 79 CO 0.62 0.22 0.24 1.57 -0.21 0.00 0.00 178.00 180.43 2pwy h LYS 80 N 0.34 0.48 0.20 1.05 2.10 -1.99 -0.50 116.57 118.25 2pwy h LYS 80 Ca 0.52 -0.03 -0.33 0.00 -2.00 0.00 0.00 60.65 58.81 2pwy h LYS 80 Cb 0.98 -0.11 0.02 0.00 -0.90 0.00 0.00 32.23 32.22 2pwy h LYS 80 CO -0.55 0.32 -1.57 -0.44 -2.00 0.00 0.00 179.45 175.21 2pwy h ASP 81 N 0.50 0.66 -0.73 7.07 3.32 -1.52 -2.58 116.42 123.14 2pwy h ASP 81 Ca 0.13 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.22 2pwy h ASP 81 Cb -0.06 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2pwy h ASP 81 CO -0.03 1.72 0.31 0.00 -1.72 0.00 0.00 179.24 179.52 2pwy h ALA 82 N 0.10 0.95 -0.00 3.45 0.00 -0.81 0.13 119.26 123.09 2pwy h ALA 82 Ca -0.30 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2pwy h ALA 82 Cb 2.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2pwy h ALA 82 CO 0.20 0.56 -0.16 1.03 0.00 0.00 0.00 179.25 180.88 2pwy h SER 83 N 1.05 -0.46 -0.75 0.00 0.87 -1.16 -1.63 113.55 111.46 2pwy h SER 83 Ca 0.25 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 2pwy h SER 83 Cb 0.19 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 2pwy h SER 83 CO -0.02 -0.22 0.26 0.00 -0.53 0.00 0.00 176.83 176.32 2pwy h ALA 84 N 0.68 1.03 -0.66 6.23 0.00 -1.16 -2.91 119.26 122.47 2pwy h ALA 84 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2pwy h ALA 84 Cb 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2pwy h ALA 84 CO -0.15 0.66 0.43 0.52 0.00 0.00 0.00 179.25 180.70 2pwy h MET 85 N 1.12 0.83 -0.92 0.00 2.86 -0.33 0.10 114.93 118.59 2pwy h MET 85 Ca 0.25 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 2pwy h MET 85 Cb 0.27 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 2pwy h MET 85 CO -0.01 0.55 0.60 0.28 1.06 0.00 0.00 176.91 179.38 2pwy h VAL 86 N 0.85 1.15 -0.30 -2.22 2.07 -1.18 0.12 116.25 116.74 2pwy h VAL 86 Ca 0.25 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 2pwy h VAL 86 Cb -0.04 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 2pwy h VAL 86 CO -0.08 0.21 -0.16 0.74 0.02 0.00 0.00 177.57 178.30 2pwy h THR 87 N 1.15 1.30 -0.12 2.57 2.02 -1.20 -2.01 112.91 116.62 2pwy h THR 87 Ca 0.37 -1.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 2pwy h THR 87 Cb 0.01 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2pwy h THR 87 CO -0.12 0.41 -0.32 -0.07 0.37 0.00 0.00 175.52 175.79 2pwy h LEU 88 N 0.38 0.23 -0.16 2.58 3.38 -0.44 -0.74 115.31 120.53 2pwy h LEU 88 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pwy h LEU 88 Cb 0.69 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2pwy h LEU 88 CO 0.05 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.30 2pwy n LEU 89 N -4.11 0.35 -3.68 1.67 4.77 0.37 -4.88 117.00 111.49 2pwy n LEU 89 Ca -0.01 0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 2pwy n LEU 89 Cb 0.41 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2pwy n LEU 89 CO 0.40 -0.24 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.55 2pwy n ASP 90 N -1.85 -1.99 -4.69 -1.43 2.03 -0.28 -4.75 116.55 103.57 2pwy n ASP 90 Ca 0.05 -0.77 -0.42 0.00 0.52 0.00 0.00 54.79 54.17 2pwy n ASP 90 Cb 0.29 -4.26 -0.03 0.00 -0.72 0.00 0.00 41.12 36.40 2pwy n ASP 90 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pwy s LEU 91 N -6.73 4.26 0.31 -2.67 1.43 -1.02 -5.05 118.68 109.20 2pwy s LEU 91 Ca 0.11 1.41 0.11 0.00 -1.03 0.00 0.00 54.13 54.73 2pwy s LEU 91 Cb -0.05 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2pwy s LEU 91 CO 0.80 -0.36 -0.14 0.00 0.23 0.00 0.00 176.35 176.88 2pwy s ALA 92 N 1.71 2.88 0.28 4.21 0.00 -1.26 -4.86 121.76 124.72 2pwy s ALA 92 Ca 0.45 -1.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.17 2pwy s ALA 92 Cb -0.18 -0.23 -0.14 0.00 0.00 0.00 0.00 23.12 22.57 2pwy s ALA 92 CO 0.18 0.20 1.14 -2.30 0.00 0.00 0.00 175.76 174.98 2pwy n PRO 93 N -0.72 1.58 0.00 0.00 -0.02 -1.19 -2.31 135.00 132.34 2pwy n PRO 93 Ca -0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2pwy n PRO 93 Cb 0.61 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2pwy n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwy n GLY 94 N 1.35 1.55 3.80 -1.23 0.00 0.20 -4.91 105.19 105.94 2pwy n GLY 94 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2pwy n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwy s MET 95 N -0.57 2.56 -0.22 1.61 -1.94 -0.98 -4.36 119.30 115.40 2pwy s MET 95 Ca 0.00 1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 54.97 2pwy s MET 95 Cb 0.00 -1.94 0.02 0.00 2.01 0.00 0.00 34.83 34.92 2pwy s MET 95 CO 0.00 -1.38 -0.11 0.50 -0.01 0.00 0.00 175.02 174.02 2pwy s ARG 96 N -5.00 2.93 -0.08 2.03 3.52 -1.26 -1.39 118.95 119.70 2pwy s ARG 96 Ca 0.60 -0.89 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 2pwy s ARG 96 Cb -0.15 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 2pwy s ARG 96 CO 0.55 -0.31 -0.22 0.54 -0.81 0.00 0.00 175.30 175.05 2pwy s VAL 97 N 1.32 2.32 -0.01 7.11 0.11 -0.07 0.01 120.40 131.20 2pwy s VAL 97 Ca 0.02 -0.96 -0.16 0.00 -2.93 0.00 0.00 61.98 57.95 2pwy s VAL 97 Cb -0.15 -1.88 -0.06 0.00 -1.53 0.00 0.00 36.38 32.76 2pwy s VAL 97 CO -0.07 0.56 0.46 -0.22 -3.33 0.00 0.00 175.10 172.50 2pwy s LEU 98 N -0.03 4.45 -0.01 2.54 2.96 -0.62 -0.72 118.68 127.24 2pwy s LEU 98 Ca -0.07 1.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 2pwy s LEU 98 Cb -0.15 -2.68 -0.00 0.00 0.50 0.00 0.00 46.19 43.86 2pwy s LEU 98 CO 0.05 0.25 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.57 2pwy s GLU 99 N -0.74 0.50 -0.10 1.98 2.12 0.12 0.15 118.70 122.73 2pwy s GLU 99 Ca 0.25 -0.20 -0.19 0.00 0.36 0.00 0.00 54.97 55.20 2pwy s GLU 99 Cb -0.17 -0.49 0.04 0.00 0.26 0.00 0.00 34.13 33.78 2pwy s GLU 99 CO 0.14 0.11 0.46 0.00 -0.54 0.00 0.00 175.26 175.43 2pwy s ALA 100 N -0.05 -1.17 0.16 6.30 0.00 -0.89 -0.43 121.76 125.69 2pwy s ALA 100 Ca 0.01 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 2pwy s ALA 100 Cb -0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2pwy s ALA 100 CO -0.00 -0.26 0.46 0.20 0.00 0.00 0.00 175.76 176.16 2pwy s GLY 101 N -0.51 2.30 0.28 0.00 0.00 -0.71 -0.40 107.32 108.28 2pwy s GLY 101 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.31 2pwy s GLY 101 CO 0.03 -0.21 1.74 -0.84 0.00 0.00 0.00 173.10 173.83 2pwy h THR 102 N 2.31 0.64 0.00 0.90 2.02 -1.29 -3.45 112.91 114.05 2pwy h THR 102 Ca -0.47 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2pwy h THR 102 Cb 1.18 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2pwy h THR 102 CO 0.69 0.11 0.00 0.61 0.37 0.00 0.00 175.52 177.30 2pwy n GLY 103 N -1.33 1.39 0.57 2.16 0.00 -1.26 -1.26 105.19 105.46 2pwy n GLY 103 Ca 0.20 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.51 2pwy n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pwy n SER 104 N 11.26 2.22 0.00 1.61 7.64 -1.26 -4.20 113.62 130.88 2pwy n SER 104 Ca 0.00 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.27 2pwy n SER 104 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2pwy n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pwy n GLY 105 N 0.77 0.62 0.37 0.23 0.00 -0.39 -4.39 105.19 102.40 2pwy n GLY 105 Ca 0.08 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2pwy n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pwy h GLY 106 N 0.00 -0.93 1.33 -0.02 0.00 -1.93 -2.12 103.07 99.40 2pwy h GLY 106 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.68 2pwy h GLY 106 CO 0.00 -0.34 0.45 -2.00 0.00 0.00 0.00 176.54 174.65 2pwy h LEU 107 N -1.17 0.77 -0.63 3.11 5.85 -1.88 -2.65 115.31 118.71 2pwy h LEU 107 Ca -0.09 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.73 2pwy h LEU 107 Cb 0.71 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 2pwy h LEU 107 CO 0.15 0.56 0.16 0.74 -0.34 0.00 0.00 178.44 179.70 2pwy h THR 108 N 0.91 0.64 -0.60 1.05 2.02 -1.84 0.15 112.91 115.24 2pwy h THR 108 Ca 0.25 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 2pwy h THR 108 Cb -0.10 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 2pwy h THR 108 CO -0.05 0.05 0.31 -0.07 0.37 0.00 0.00 175.52 176.12 2pwy h LEU 109 N 0.29 0.76 -0.44 2.58 3.38 -1.02 0.64 115.31 121.50 2pwy h LEU 109 Ca 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2pwy h LEU 109 Cb 0.50 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2pwy h LEU 109 CO -0.41 0.66 0.26 -0.26 0.09 0.00 0.00 178.44 178.78 2pwy h PHE 110 N 0.81 0.59 -0.66 1.13 -1.00 -1.17 -1.90 116.94 114.74 2pwy h PHE 110 Ca 0.21 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.95 2pwy h PHE 110 Cb 0.08 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 2pwy h PHE 110 CO -0.01 0.42 0.30 -0.07 -1.61 0.00 0.00 178.31 177.35 2pwy h LEU 111 N 0.58 0.89 -0.58 1.54 3.38 -0.73 -2.09 115.31 118.30 2pwy h LEU 111 Ca 0.16 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2pwy h LEU 111 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2pwy h LEU 111 CO -0.03 0.79 0.01 0.00 0.09 0.00 0.00 178.44 179.30 2pwy h ALA 112 N 1.13 0.79 -0.60 1.53 0.00 -0.69 -1.94 119.26 119.48 2pwy h ALA 112 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2pwy h ALA 112 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2pwy h ALA 112 CO -0.02 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.16 2pwy h ARG 113 N 0.92 0.84 -0.54 0.00 3.08 -1.25 -1.78 114.38 115.65 2pwy h ARG 113 Ca 0.17 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2pwy h ARG 113 Cb 0.54 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2pwy h ARG 113 CO 0.03 0.65 0.21 0.00 -1.07 0.00 0.00 179.97 179.79 2pwy h ALA 114 N 1.15 0.70 0.00 0.04 0.00 -0.98 -3.11 119.26 117.05 2pwy h ALA 114 Ca 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pwy h ALA 114 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pwy h ALA 114 CO -0.03 0.31 -0.57 -0.39 0.00 0.00 0.00 179.25 178.58 2pwy h VAL 115 N 0.73 0.10 -1.54 0.00 -1.51 -1.36 -3.16 116.25 109.51 2pwy h VAL 115 Ca 0.18 -1.16 0.15 0.00 -1.23 0.00 0.00 66.70 64.64 2pwy h VAL 115 Cb 0.20 1.82 -0.04 0.00 -2.13 0.00 0.00 31.29 31.15 2pwy h VAL 115 CO -0.01 0.06 -0.20 0.61 -1.23 0.00 0.00 177.57 176.80 2pwy n GLY 116 N 1.16 -1.89 0.27 5.19 0.00 -0.67 -0.63 105.19 108.63 2pwy n GLY 116 Ca 0.01 -1.29 0.16 0.00 0.00 0.00 0.00 46.02 44.90 2pwy n GLY 116 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2pwy h GLU 117 N 0.00 0.00 0.00 1.61 4.11 -1.92 -1.46 114.58 116.92 2pwy h GLU 117 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2pwy h GLU 117 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2pwy h GLU 117 CO 0.00 0.07 -0.68 1.63 0.07 0.00 0.00 179.01 180.11 2pwy n LYS 118 N -3.26 0.18 -0.63 1.06 4.76 -1.26 -4.84 118.16 114.17 2pwy n LYS 118 Ca -0.00 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2pwy n LYS 118 Cb 0.29 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2pwy n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pwy n GLY 119 N 1.41 1.13 3.27 0.72 0.00 -0.55 -4.56 105.19 106.60 2pwy n GLY 119 Ca 0.04 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 2pwy n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pwy s LEU 120 N 0.00 0.30 -0.23 0.99 2.96 -0.49 -4.80 118.68 117.41 2pwy s LEU 120 Ca 0.00 0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 2pwy s LEU 120 Cb 0.00 1.33 -0.02 0.00 0.50 0.00 0.00 46.19 48.00 2pwy s LEU 120 CO 0.00 -0.16 0.01 -0.69 -1.32 0.00 0.00 176.35 174.19 2pwy s VAL 121 N 0.64 3.80 -0.50 1.68 1.01 0.14 -0.89 120.40 126.28 2pwy s VAL 121 Ca -0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2pwy s VAL 121 Cb -0.05 -2.75 0.12 0.00 0.00 0.00 0.00 36.38 33.70 2pwy s VAL 121 CO -0.04 0.39 0.42 -0.70 0.00 0.00 0.00 175.10 175.17 2pwy s GLU 122 N 1.47 2.76 -0.17 2.72 2.56 0.10 -0.59 118.70 127.55 2pwy s GLU 122 Ca 0.05 -1.70 -0.02 0.00 0.00 0.00 0.00 54.97 53.31 2pwy s GLU 122 Cb -0.15 -4.11 -0.01 0.00 2.00 0.00 0.00 34.13 31.86 2pwy s GLU 122 CO 0.00 -1.24 -0.10 0.45 -0.56 0.00 0.00 175.26 173.82 2pwy s SER 123 N 3.08 4.06 -0.04 -1.70 0.15 -0.25 -0.70 113.70 118.31 2pwy s SER 123 Ca 0.04 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2pwy s SER 123 Cb -0.28 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2pwy s SER 123 CO 0.02 0.08 -0.01 -0.31 1.20 0.00 0.00 173.24 174.21 2pwy s TYR 124 N 0.89 3.07 -0.12 3.44 2.02 0.43 -0.33 117.35 126.74 2pwy s TYR 124 Ca -0.02 0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.72 2pwy s TYR 124 Cb -0.15 -1.71 0.06 0.00 -0.40 0.00 0.00 41.96 39.76 2pwy s TYR 124 CO 0.00 0.44 0.27 -2.00 -1.57 0.00 0.00 175.55 172.70 2pwy s GLU 125 N -1.23 0.21 0.20 -0.62 2.56 -0.50 -0.90 118.70 118.42 2pwy s GLU 125 Ca 0.16 0.65 0.05 0.00 0.00 0.00 0.00 54.97 55.84 2pwy s GLU 125 Cb -0.11 -0.07 0.10 0.00 2.00 0.00 0.00 34.13 36.05 2pwy s GLU 125 CO 0.06 -0.21 1.45 0.00 -0.56 0.00 0.00 175.26 176.00 2pwy h ALA 126 N 7.62 0.66 -2.77 6.30 0.00 -1.82 -0.54 119.26 128.71 2pwy h ALA 126 Ca -0.30 -0.68 -0.68 0.00 0.00 0.00 0.00 54.91 53.26 2pwy h ALA 126 Cb 1.14 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 2pwy h ALA 126 CO 0.27 0.89 -0.51 1.03 0.00 0.00 0.00 179.25 180.94 2pwy s ARG 127 N -3.34 3.45 0.31 0.00 0.52 -1.26 -4.55 118.95 114.07 2pwy s ARG 127 Ca -0.02 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 2pwy s ARG 127 Cb 0.11 -3.72 0.56 0.00 0.52 0.00 0.00 34.95 32.42 2pwy s ARG 127 CO 0.81 -0.43 1.90 -1.00 0.02 0.00 0.00 175.30 176.60 2pwy h PRO 128 N 8.44 0.96 -0.56 3.54 0.13 -2.00 -1.11 132.00 141.40 2pwy h PRO 128 Ca -0.32 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2pwy h PRO 128 Cb 1.15 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2pwy h PRO 128 CO 0.63 0.64 0.11 0.45 -0.23 0.00 0.00 178.00 179.59 2pwy h HIS 129 N 0.99 0.93 -0.15 1.56 3.86 -1.99 -1.19 115.15 119.16 2pwy h HIS 129 Ca 0.40 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 2pwy h HIS 129 Cb 0.27 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2pwy h HIS 129 CO -0.00 0.79 0.02 0.45 0.86 0.00 0.00 177.93 180.04 2pwy h HIS 130 N 0.85 0.27 -0.54 2.45 3.86 -1.55 -2.80 115.15 117.69 2pwy h HIS 130 Ca 0.18 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2pwy h HIS 130 Cb 0.35 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2pwy h HIS 130 CO 0.02 0.44 0.33 1.25 0.86 0.00 0.00 177.93 180.83 2pwy h LEU 131 N 0.02 0.64 -0.46 2.43 5.85 -1.00 -0.58 115.31 122.21 2pwy h LEU 131 Ca 0.04 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2pwy h LEU 131 Cb 0.32 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2pwy h LEU 131 CO 0.00 0.50 0.22 0.00 -0.34 0.00 0.00 178.44 178.82 2pwy h ALA 132 N 1.17 0.58 -0.50 1.25 0.00 -1.21 0.64 119.26 121.18 2pwy h ALA 132 Ca 0.19 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2pwy h ALA 132 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2pwy h ALA 132 CO -0.04 -0.14 0.10 0.37 0.00 0.00 0.00 179.25 179.54 2pwy h GLN 133 N 0.44 0.82 -0.39 0.00 5.75 -1.26 -2.20 115.11 118.28 2pwy h GLN 133 Ca 0.20 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2pwy h GLN 133 Cb 0.12 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 2pwy h GLN 133 CO -0.15 0.81 0.22 0.00 -2.65 0.00 0.00 178.83 177.06 2pwy h ALA 134 N 0.98 0.49 -0.85 3.38 0.00 -0.53 0.29 119.26 123.01 2pwy h ALA 134 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pwy h ALA 134 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2pwy h ALA 134 CO 0.01 -0.12 0.49 0.93 0.00 0.00 0.00 179.25 180.55 2pwy h GLU 135 N 0.45 1.18 -0.20 0.00 5.08 -0.79 0.52 114.58 120.82 2pwy h GLU 135 Ca 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2pwy h GLU 135 Cb 0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2pwy h GLU 135 CO -0.08 0.85 0.13 0.00 -1.00 0.00 0.00 179.01 178.91 2pwy h ARG 136 N 1.18 0.27 -0.80 2.33 3.08 -0.93 -0.95 114.38 118.57 2pwy h ARG 136 Ca 0.30 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 2pwy h ARG 136 Cb -0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2pwy h ARG 136 CO -0.05 0.18 0.46 -0.91 -1.07 0.00 0.00 179.97 178.58 2pwy h ASN 137 N 0.27 0.97 -0.09 7.04 2.35 -0.24 -1.14 115.58 124.75 2pwy h ASN 137 Ca 0.07 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2pwy h ASN 137 Cb -0.03 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 2pwy h ASN 137 CO -0.02 0.77 -0.01 0.58 -1.65 0.00 0.00 177.43 177.10 2pwy h VAL 138 N 1.10 1.26 0.00 2.81 2.07 -0.80 -3.24 116.25 119.46 2pwy h VAL 138 Ca 0.28 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2pwy h VAL 138 Cb -0.01 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2pwy h VAL 138 CO -0.05 0.24 -0.33 0.03 0.02 0.00 0.00 177.57 177.47 2pwy h ARG 139 N -0.14 0.00 0.00 1.57 3.08 -0.98 -0.04 114.38 117.87 2pwy h ARG 139 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2pwy h ARG 139 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2pwy h ARG 139 CO 0.01 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 2pwy h ALA 140 N 1.67 1.00 0.00 0.04 0.00 -1.23 -3.33 119.26 117.41 2pwy h ALA 140 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pwy h ALA 140 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pwy h ALA 140 CO 0.04 0.00 -1.00 0.34 0.00 0.00 0.00 179.25 178.63 2pwy n PHE 141 N -2.91 0.00 -3.69 0.00 7.35 -0.89 -4.34 117.46 112.98 2pwy n PHE 141 Ca 0.01 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.50 2pwy n PHE 141 Cb 0.30 -0.00 -0.18 0.00 0.35 0.00 0.00 39.48 39.95 2pwy n PHE 141 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2pwy s TRP 142 N -2.00 0.16 -1.34 -5.13 -0.11 -0.08 -5.02 118.94 105.41 2pwy s TRP 142 Ca -0.00 0.19 0.22 0.00 1.22 0.00 0.00 56.10 57.72 2pwy s TRP 142 Cb 0.00 -0.53 -0.16 0.00 -1.50 0.00 0.00 33.47 31.28 2pwy s TRP 142 CO 0.00 -0.21 0.96 0.00 -4.62 0.00 0.00 176.95 173.08 2pwy n GLN 143 N 5.28 0.39 -2.38 5.86 -0.00 -1.26 -4.36 117.38 120.91 2pwy n GLN 143 Ca -0.04 -0.33 -0.42 0.00 -0.00 0.00 0.00 57.00 56.22 2pwy n GLN 143 Cb 0.50 -1.49 -0.03 0.00 -0.00 0.00 0.00 30.24 29.22 2pwy n GLN 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2pwy s VAL 144 N -2.83 3.97 -0.71 -0.39 1.01 -1.26 -4.93 120.40 115.26 2pwy s VAL 144 Ca 0.11 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 2pwy s VAL 144 Cb 0.17 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2pwy s VAL 144 CO 0.77 0.07 2.82 -1.84 0.00 0.00 0.00 175.10 176.92 2pwy n GLU 145 N 4.40 3.05 -0.34 2.72 0.00 -1.26 -4.44 120.64 124.77 2pwy n GLU 145 Ca 0.10 -2.43 0.07 0.00 0.00 0.00 0.00 57.16 54.91 2pwy n GLU 145 Cb 0.46 -2.31 0.23 0.00 0.00 0.00 0.00 31.44 29.81 2pwy n GLU 145 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2pwy n ASN 146 N 1.58 3.56 -4.30 -1.84 6.94 -1.26 -4.92 115.26 115.02 2pwy n ASN 146 Ca 0.54 -2.36 -0.34 0.00 -0.02 0.00 0.00 54.58 52.40 2pwy n ASN 146 Cb 0.50 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 37.38 2pwy n ASN 146 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2pwy s VAL 147 N -1.66 2.94 -0.32 3.53 1.01 -1.26 -0.69 120.40 123.95 2pwy s VAL 147 Ca 0.34 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2pwy s VAL 147 Cb 0.22 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.36 2pwy s VAL 147 CO 0.16 0.50 0.11 -0.13 0.00 0.00 0.00 175.10 175.74 2pwy s ARG 148 N 0.85 2.89 0.23 2.72 0.52 0.24 -4.96 118.95 121.44 2pwy s ARG 148 Ca -0.04 -1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 54.02 2pwy s ARG 148 Cb -0.15 -3.46 -0.08 0.00 0.52 0.00 0.00 34.95 31.78 2pwy s ARG 148 CO 0.00 -0.56 0.65 -0.06 0.02 0.00 0.00 175.30 175.35 2pwy s PHE 149 N 1.47 3.53 -0.03 -0.53 0.08 -1.26 -1.09 117.98 120.15 2pwy s PHE 149 Ca 0.01 1.17 -0.01 0.00 0.12 0.00 0.00 56.93 58.22 2pwy s PHE 149 Cb -0.18 -2.47 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 2pwy s PHE 149 CO 0.03 0.29 0.04 -1.01 -0.10 0.00 0.00 175.22 174.47 2pwy s HIS 150 N -1.67 0.12 -0.18 0.36 3.76 0.55 -4.92 115.29 113.31 2pwy s HIS 150 Ca 0.45 0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 55.24 2pwy s HIS 150 Cb -0.14 -0.40 -0.00 0.00 1.11 0.00 0.00 32.58 33.15 2pwy s HIS 150 CO 0.20 -0.15 0.94 -1.17 -0.85 0.00 0.00 174.74 173.70 2pwy s LEU 151 N 1.60 4.16 0.00 0.89 2.96 -1.26 -1.41 118.68 125.62 2pwy s LEU 151 Ca -0.02 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 2pwy s LEU 151 Cb -0.13 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2pwy s LEU 151 CO -0.03 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.10 2pwy n GLY 152 N 3.36 1.75 3.74 7.98 0.00 -0.21 -4.92 105.19 116.89 2pwy n GLY 152 Ca 0.08 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2pwy n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwy s LYS 153 N -1.80 4.71 0.33 1.61 1.02 -1.26 -2.74 119.74 121.62 2pwy s LYS 153 Ca 0.00 1.41 0.04 0.00 0.02 0.00 0.00 55.97 57.44 2pwy s LYS 153 Cb 0.00 -3.35 0.64 0.00 -0.52 0.00 0.00 37.83 34.61 2pwy s LYS 153 CO 0.00 0.31 1.93 1.25 -0.92 0.00 0.00 175.35 177.91 2pwy h LEU 154 N 5.20 0.78 -2.31 3.17 5.85 -1.96 -0.94 115.31 125.10 2pwy h LEU 154 Ca -0.44 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.32 2pwy h LEU 154 Cb 1.21 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2pwy h LEU 154 CO 0.71 0.50 0.21 -0.33 -0.34 0.00 0.00 178.44 179.18 2pwy h GLU 155 N 0.88 0.00 -0.28 1.25 3.07 -1.92 -1.47 114.58 116.10 2pwy h GLU 155 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2pwy h GLU 155 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2pwy h GLU 155 CO -0.13 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.87 2pwy n GLU 156 N -3.43 2.09 -2.01 2.33 1.02 -0.38 -4.94 120.64 115.33 2pwy n GLU 156 Ca 0.00 -1.91 -0.37 0.00 -0.02 0.00 0.00 57.16 54.86 2pwy n GLU 156 Cb 0.30 -1.35 0.02 0.00 -0.02 0.00 0.00 31.44 30.40 2pwy n GLU 156 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pwy s ALA 157 N -1.14 2.84 -0.53 0.62 0.00 -0.56 -4.96 121.76 118.03 2pwy s ALA 157 Ca 0.26 1.13 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 2pwy s ALA 157 Cb 0.15 -3.48 0.10 0.00 0.00 0.00 0.00 23.12 19.90 2pwy s ALA 157 CO 0.21 -1.06 0.54 -1.21 0.00 0.00 0.00 175.76 174.24 2pwy s GLU 158 N -2.89 3.02 0.02 0.00 0.41 -1.26 -5.05 118.70 112.94 2pwy s GLU 158 Ca 0.69 -1.41 0.07 0.00 -0.41 0.00 0.00 54.97 53.91 2pwy s GLU 158 Cb -0.34 -4.22 -0.03 0.00 -1.78 0.00 0.00 34.13 27.76 2pwy s GLU 158 CO 0.40 -1.29 -0.20 -0.51 -0.49 0.00 0.00 175.26 173.18 2pwy s LEU 159 N 2.01 2.49 0.30 1.80 1.43 -1.26 -5.11 118.68 120.34 2pwy s LEU 159 Ca 0.07 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 2pwy s LEU 159 Cb -0.26 -1.46 -0.10 0.00 0.03 0.00 0.00 46.19 44.40 2pwy s LEU 159 CO 0.06 0.28 1.17 -1.61 0.23 0.00 0.00 176.35 176.48 2pwy s GLU 160 N -1.17 4.51 0.21 1.70 2.02 -1.26 -4.92 118.70 119.79 2pwy s GLU 160 Ca 0.13 1.94 -0.30 0.00 0.02 0.00 0.00 54.97 56.76 2pwy s GLU 160 Cb -0.10 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 30.92 2pwy s GLU 160 CO 0.03 0.05 1.10 -2.00 0.02 0.00 0.00 175.26 174.46 2pwy s GLU 161 N -1.61 4.61 -1.53 1.61 2.12 -1.26 -3.73 118.70 118.91 2pwy s GLU 161 Ca 0.47 1.75 -0.11 0.00 0.36 0.00 0.00 54.97 57.44 2pwy s GLU 161 Cb -0.34 -3.25 0.08 0.00 0.26 0.00 0.00 34.13 30.88 2pwy s GLU 161 CO 0.45 0.12 0.81 0.00 -0.54 0.00 0.00 175.26 176.11 2pwy n ALA 162 N 1.96 -1.49 0.51 6.30 0.00 -0.08 -4.85 120.51 122.86 2pwy n ALA 162 Ca 0.01 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2pwy n ALA 162 Cb 0.46 -3.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.42 2pwy n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwy n ALA 163 N -4.51 3.28 -2.47 0.00 0.00 -0.31 -4.59 120.51 111.90 2pwy n ALA 163 Ca -0.05 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 2pwy n ALA 163 Cb 0.56 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 2pwy n ALA 163 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pwy s TYR 164 N -1.88 2.66 -1.50 0.00 2.02 -0.56 -4.84 117.35 113.26 2pwy s TYR 164 Ca 0.06 -0.19 0.26 0.00 -0.37 0.00 0.00 57.07 56.82 2pwy s TYR 164 Cb 0.09 -1.57 0.66 0.00 -0.40 0.00 0.00 41.96 40.74 2pwy s TYR 164 CO 0.40 0.22 1.51 -0.25 -1.57 0.00 0.00 175.55 175.86 2pwy n ASP 165 N 1.98 0.85 -3.60 2.29 8.00 0.10 -1.28 116.55 124.88 2pwy n ASP 165 Ca -0.17 -0.68 -0.04 0.00 0.71 0.00 0.00 54.79 54.61 2pwy n ASP 165 Cb 0.52 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.78 2pwy n ASP 165 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2pwy s GLY 166 N -2.67 -0.24 -0.11 0.44 0.00 -1.23 -4.40 107.32 99.11 2pwy s GLY 166 Ca 0.20 1.79 -0.01 0.00 0.00 0.00 0.00 44.72 46.70 2pwy s GLY 166 CO 0.58 0.63 -0.05 0.14 0.00 0.00 0.00 173.10 174.40 2pwy s VAL 167 N -2.16 0.90 -0.24 1.40 1.01 -0.12 -1.59 120.40 119.60 2pwy s VAL 167 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2pwy s VAL 167 Cb -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2pwy s VAL 167 CO -0.04 0.30 0.10 0.00 0.00 0.00 0.00 175.10 175.45 2pwy s ALA 168 N 1.75 3.33 -0.09 5.51 0.00 0.12 -0.81 121.76 131.58 2pwy s ALA 168 Ca 0.04 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.04 2pwy s ALA 168 Cb -0.13 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 2pwy s ALA 168 CO -0.08 -0.30 -0.23 -0.51 0.00 0.00 0.00 175.76 174.64 2pwy s LEU 169 N 1.28 2.15 -0.33 0.00 1.43 0.15 -2.09 118.68 121.27 2pwy s LEU 169 Ca 0.06 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2pwy s LEU 169 Cb -0.14 -1.42 0.12 0.00 0.03 0.00 0.00 46.19 44.78 2pwy s LEU 169 CO 0.05 0.19 0.18 -0.62 0.23 0.00 0.00 176.35 176.37 2pwy s ASP 170 N 0.17 3.23 0.10 2.29 -1.08 0.46 -0.67 116.67 121.17 2pwy s ASP 170 Ca -0.13 -1.84 -0.26 0.00 -0.52 0.00 0.00 52.55 49.80 2pwy s ASP 170 Cb -0.16 -0.41 0.08 0.00 -1.46 0.00 0.00 42.92 40.97 2pwy s ASP 170 CO 0.07 -0.36 0.77 -1.48 0.52 0.00 0.00 175.17 174.69 2pwy s LEU 171 N 1.46 -0.42 0.29 -1.34 0.05 -1.26 -1.75 118.68 115.72 2pwy s LEU 171 Ca 0.14 -0.09 0.03 0.00 0.05 0.00 0.00 54.13 54.26 2pwy s LEU 171 Cb -0.20 2.31 0.44 0.00 -2.05 0.00 0.00 46.19 46.69 2pwy s LEU 171 CO -0.14 -0.84 1.74 0.00 -0.55 0.00 0.00 176.35 176.56 2pwy h MET 172 N 2.00 0.49 -2.11 1.48 -0.00 -1.98 -3.37 114.93 111.45 2pwy h MET 172 Ca -0.27 -0.17 -0.57 0.00 -0.00 0.00 0.00 59.70 58.70 2pwy h MET 172 Cb 1.27 -0.04 -0.41 0.00 -0.00 0.00 0.00 31.60 32.42 2pwy h MET 172 CO 0.32 0.68 -0.87 0.39 -0.00 0.00 0.00 176.91 177.43 2pwy n GLU 173 N -4.14 1.74 0.29 -0.10 1.02 -1.26 -4.95 120.64 113.24 2pwy n GLU 173 Ca -0.00 -3.99 0.16 0.00 -0.02 0.00 0.00 57.16 53.32 2pwy n GLU 173 Cb 0.38 -1.79 0.86 0.00 -0.02 0.00 0.00 31.44 30.87 2pwy n GLU 173 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2pwy h PRO 174 N 3.78 0.00 -0.37 3.49 0.13 -1.97 -2.06 132.00 135.01 2pwy h PRO 174 Ca 0.13 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.36 2pwy h PRO 174 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2pwy h PRO 174 CO 0.65 0.06 0.28 0.11 -0.23 0.00 0.00 178.00 178.86 2pwy h TRP 175 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.69 115.95 113.99 2pwy h TRP 175 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2pwy h TRP 175 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.51 2pwy h TRP 175 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 178.44 179.40 2pwy h LYS 176 N 0.00 0.00 -0.25 0.12 1.57 -1.81 -3.02 116.57 113.18 2pwy h LYS 176 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2pwy h LYS 176 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2pwy h LYS 176 CO -0.00 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.21 2pwy n VAL 177 N -2.39 0.68 -0.31 0.50 0.24 -0.64 -4.67 118.33 111.74 2pwy n VAL 177 Ca 0.03 -0.84 -0.04 0.00 -2.04 0.00 0.00 64.34 61.45 2pwy n VAL 177 Cb 0.31 0.74 0.08 0.00 -1.47 0.00 0.00 33.84 33.50 2pwy n VAL 177 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2pwy h LEU 178 N 2.19 0.99 -0.17 1.34 3.38 -1.46 -0.03 115.31 121.55 2pwy h LEU 178 Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2pwy h LEU 178 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2pwy h LEU 178 CO 0.00 0.76 0.10 -0.33 0.09 0.00 0.00 178.44 179.05 2pwy h GLU 179 N 1.15 0.24 -0.41 1.13 5.08 -1.83 -0.10 114.58 119.84 2pwy h GLU 179 Ca 0.30 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2pwy h GLU 179 Cb -0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2pwy h GLU 179 CO -0.06 0.23 0.10 -0.22 -1.00 0.00 0.00 179.01 178.06 2pwy h LYS 180 N 0.18 0.66 -0.57 2.33 1.63 -1.83 -2.09 116.57 116.88 2pwy h LYS 180 Ca 0.06 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2pwy h LYS 180 Cb 0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 2pwy h LYS 180 CO -0.01 0.67 0.33 0.00 -3.45 0.00 0.00 179.45 176.99 2pwy h ALA 181 N 0.95 0.73 -0.92 5.00 0.00 -0.86 -1.56 119.26 122.61 2pwy h ALA 181 Ca 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pwy h ALA 181 Cb 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2pwy h ALA 181 CO 0.00 0.24 0.56 0.00 0.00 0.00 0.00 179.25 180.04 2pwy h ALA 182 N 1.16 1.17 -0.19 0.00 0.00 -0.88 -0.59 119.26 119.93 2pwy h ALA 182 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pwy h ALA 182 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2pwy h ALA 182 CO -0.04 0.63 0.12 1.25 0.00 0.00 0.00 179.25 181.21 2pwy h LEU 183 N 1.27 0.21 -0.49 0.00 5.85 -0.95 -3.24 115.31 117.95 2pwy h LEU 183 Ca 0.33 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.87 2pwy h LEU 183 Cb -0.06 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2pwy h LEU 183 CO -0.06 0.16 -0.61 0.00 -0.34 0.00 0.00 178.44 177.59 2pwy h ALA 184 N 1.06 0.67 -2.51 1.25 0.00 -0.90 -0.19 119.26 118.65 2pwy h ALA 184 Ca 0.07 -0.54 -0.53 0.00 0.00 0.00 0.00 54.91 53.91 2pwy h ALA 184 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pwy h ALA 184 CO -0.01 0.71 0.44 -1.17 0.00 0.00 0.00 179.25 179.21 2pwy s LEU 185 N -8.21 4.42 0.58 0.00 2.96 -0.26 -1.17 118.68 117.00 2pwy s LEU 185 Ca -0.07 1.86 -0.19 0.00 -0.22 0.00 0.00 54.13 55.51 2pwy s LEU 185 Cb 0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 2pwy s LEU 185 CO 0.84 -0.26 1.19 -0.54 -1.32 0.00 0.00 176.35 176.25 2pwy s LYS 186 N 0.55 3.10 0.37 1.98 1.02 -0.41 -4.46 119.74 121.89 2pwy s LYS 186 Ca 0.52 1.77 -0.27 0.00 0.02 0.00 0.00 55.97 58.02 2pwy s LYS 186 Cb -0.25 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 34.98 2pwy s LYS 186 CO 0.30 -1.09 1.24 -2.30 -0.92 0.00 0.00 175.35 172.58 2pwy n PRO 187 N -1.48 1.94 -0.88 -1.68 -0.02 -1.26 -2.28 135.00 129.34 2pwy n PRO 187 Ca 0.13 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2pwy n PRO 187 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2pwy n PRO 187 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2pwy n ASP 188 N 0.58 -0.35 -4.99 2.55 2.03 0.15 -4.98 116.55 111.55 2pwy n ASP 188 Ca 0.06 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.18 2pwy n ASP 188 Cb 0.37 -0.72 0.03 0.00 -0.72 0.00 0.00 41.12 40.08 2pwy n ASP 188 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2pwy s ARG 189 N -0.29 2.66 -0.00 -0.67 1.81 -0.97 -4.71 118.95 116.78 2pwy s ARG 189 Ca 0.00 -1.15 0.03 0.00 -1.72 0.00 0.00 55.73 52.89 2pwy s ARG 189 Cb 0.00 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 2pwy s ARG 189 CO 0.00 -0.49 -0.08 -0.06 -0.68 0.00 0.00 175.30 173.99 2pwy s PHE 190 N -2.52 2.85 -0.21 -0.53 0.08 -1.26 -0.40 117.98 115.98 2pwy s PHE 190 Ca 0.57 -0.06 -0.09 0.00 0.12 0.00 0.00 56.93 57.46 2pwy s PHE 190 Cb -0.10 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2pwy s PHE 190 CO 0.35 0.35 0.12 -1.17 -0.10 0.00 0.00 175.22 174.77 2pwy s LEU 191 N -1.32 3.99 -0.13 -0.37 0.20 0.07 -0.95 118.68 120.17 2pwy s LEU 191 Ca 0.16 0.10 0.01 0.00 0.69 0.00 0.00 54.13 55.10 2pwy s LEU 191 Cb -0.11 -2.04 0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2pwy s LEU 191 CO 0.06 0.12 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.39 2pwy s VAL 192 N 0.73 1.60 -0.08 1.68 1.01 0.01 -0.75 120.40 124.61 2pwy s VAL 192 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2pwy s VAL 192 Cb -0.13 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2pwy s VAL 192 CO 0.02 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 2pwy s ALA 193 N 1.16 2.63 -0.28 5.51 0.00 -0.01 -0.68 121.76 130.09 2pwy s ALA 193 Ca -0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2pwy s ALA 193 Cb -0.14 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2pwy s ALA 193 CO -0.05 0.45 0.18 -0.47 0.00 0.00 0.00 175.76 175.87 2pwy s TYR 194 N -0.35 3.21 -0.07 0.00 5.04 0.16 -0.85 117.35 124.49 2pwy s TYR 194 Ca 0.03 0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.68 2pwy s TYR 194 Cb -0.12 -2.37 0.04 0.00 0.35 0.00 0.00 41.96 39.85 2pwy s TYR 194 CO 0.02 -0.19 0.10 -0.51 -1.34 0.00 0.00 175.55 173.63 2pwy s LEU 195 N 1.74 0.08 0.33 6.97 1.43 0.05 -4.30 118.68 124.99 2pwy s LEU 195 Ca 0.07 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2pwy s LEU 195 Cb -0.16 -0.01 0.58 0.00 0.03 0.00 0.00 46.19 46.63 2pwy s LEU 195 CO 0.10 -0.26 1.92 1.55 0.23 0.00 0.00 176.35 179.90 2pwy h PRO 196 N 8.41 0.71 -6.03 1.29 0.13 -1.84 0.27 132.00 134.94 2pwy h PRO 196 Ca -0.13 -0.10 -0.68 0.00 -0.87 0.00 0.00 66.00 64.22 2pwy h PRO 196 Cb 1.12 -0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.97 2pwy h PRO 196 CO 0.16 0.59 -0.63 -0.80 -0.23 0.00 0.00 178.00 177.09 2pwy s ASN 197 N -6.61 5.16 0.43 1.44 0.01 -1.26 -4.51 114.94 109.61 2pwy s ASN 197 Ca -0.09 0.09 0.18 0.00 -0.71 0.00 0.00 52.86 52.34 2pwy s ASN 197 Cb 0.16 -1.41 0.99 0.00 0.41 0.00 0.00 41.25 41.40 2pwy s ASN 197 CO 0.77 0.35 1.92 -0.29 -1.51 0.00 0.00 177.10 178.34 2pwy h ILE 198 N 4.00 0.97 -0.78 0.60 6.09 -2.00 -2.01 117.51 124.38 2pwy h ILE 198 Ca -0.50 -0.97 -0.04 0.00 -1.37 0.00 0.00 64.86 61.98 2pwy h ILE 198 Cb 1.19 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 40.00 2pwy h ILE 198 CO 0.55 0.26 0.32 0.71 -3.07 0.00 0.00 178.15 176.92 2pwy h THR 199 N 0.00 1.26 -0.61 2.19 1.35 -1.98 -0.13 112.91 114.98 2pwy h THR 199 Ca -0.00 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 2pwy h THR 199 Cb 0.53 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 2pwy h THR 199 CO 0.03 0.33 0.36 1.56 -0.25 0.00 0.00 175.52 177.55 2pwy h GLN 200 N 1.13 0.83 0.04 4.72 4.20 -1.78 -0.98 115.11 123.27 2pwy h GLN 200 Ca 0.26 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.91 2pwy h GLN 200 Cb 0.20 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2pwy h GLN 200 CO -0.02 0.61 -0.13 0.28 -0.67 0.00 0.00 178.83 178.90 2pwy h VAL 201 N 0.83 0.70 -0.91 -0.54 2.07 -1.02 0.52 116.25 117.89 2pwy h VAL 201 Ca 0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 2pwy h VAL 201 Cb -0.01 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2pwy h VAL 201 CO -0.04 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.99 2pwy h LEU 202 N -0.24 1.13 -0.58 2.57 3.38 -0.90 -1.00 115.31 119.68 2pwy h LEU 202 Ca 0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2pwy h LEU 202 Cb 0.27 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2pwy h LEU 202 CO -0.10 0.90 0.17 -0.08 0.09 0.00 0.00 178.44 179.42 2pwy h GLU 203 N 1.27 0.92 -0.29 1.13 4.81 -0.89 -1.44 114.58 120.09 2pwy h GLU 203 Ca 0.32 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2pwy h GLU 203 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2pwy h GLU 203 CO -0.05 0.84 0.16 1.25 -0.73 0.00 0.00 179.01 180.47 2pwy h LEU 204 N 0.83 0.37 -0.48 1.64 5.85 -0.53 -0.17 115.31 122.82 2pwy h LEU 204 Ca 0.19 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2pwy h LEU 204 Cb 0.31 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2pwy h LEU 204 CO -0.00 0.36 0.21 0.58 -0.34 0.00 0.00 178.44 179.25 2pwy h VAL 205 N 0.35 0.91 -0.16 1.05 2.07 -1.09 0.68 116.25 120.07 2pwy h VAL 205 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2pwy h VAL 205 Cb 0.08 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2pwy h VAL 205 CO -0.02 0.08 0.04 0.03 0.02 0.00 0.00 177.57 177.72 2pwy h ARG 206 N 0.42 0.25 -0.88 1.57 -0.00 -1.09 -2.91 114.38 111.74 2pwy h ARG 206 Ca 0.22 -0.06 0.04 0.00 -0.50 0.00 0.00 59.98 59.67 2pwy h ARG 206 Cb 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.05 2pwy h ARG 206 CO -0.18 0.39 0.58 0.00 0.00 0.00 0.00 179.97 180.76 2pwy h ALA 207 N 0.85 1.45 0.00 0.04 0.00 -0.74 -2.04 119.26 118.82 2pwy h ALA 207 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pwy h ALA 207 Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2pwy h ALA 207 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2pwy h ALA 208 N 1.49 1.00 0.00 0.00 0.00 -0.67 -2.02 119.26 119.06 2pwy h ALA 208 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pwy h ALA 208 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pwy h ALA 208 CO -0.11 0.00 -0.02 0.93 0.00 0.00 0.00 179.25 180.06 2pwy h GLU 209 N 0.00 0.00 -0.65 0.00 5.08 -1.30 -2.41 114.58 115.30 2pwy h GLU 209 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pwy h GLU 209 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2pwy h GLU 209 CO 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2pwy n ALA 210 N -2.26 2.89 -2.23 3.43 0.00 -0.76 -4.95 120.51 116.64 2pwy n ALA 210 Ca -0.03 -1.35 -0.11 0.00 0.00 0.00 0.00 53.44 51.95 2pwy n ALA 210 Cb 0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 2pwy n ALA 210 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2pwy s HIS 211 N -1.65 0.89 -1.56 0.00 3.76 -0.91 -5.06 115.29 110.76 2pwy s HIS 211 Ca 0.46 -0.88 -0.10 0.00 -0.15 0.00 0.00 55.06 54.39 2pwy s HIS 211 Cb 0.28 -0.51 -0.09 0.00 1.11 0.00 0.00 32.58 33.37 2pwy s HIS 211 CO 0.24 -0.14 2.88 -0.35 -0.85 0.00 0.00 174.74 176.52 2pwy n PRO 212 N 0.07 3.54 -4.58 8.40 -0.04 -1.26 -4.84 135.00 136.29 2pwy n PRO 212 Ca -0.13 -2.13 -0.21 0.00 -0.04 0.00 0.00 63.50 60.99 2pwy n PRO 212 Cb 0.60 -2.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.14 2pwy n PRO 212 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwy s PHE 213 N 2.30 1.16 -0.16 0.54 0.08 -1.26 -1.49 117.98 119.15 2pwy s PHE 213 Ca 0.67 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.38 2pwy s PHE 213 Cb 0.17 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 2pwy s PHE 213 CO -0.06 -0.03 0.22 0.50 -0.10 0.00 0.00 175.22 175.76 2pwy s ARG 214 N -0.28 4.13 -0.05 0.44 3.52 0.04 -4.88 118.95 121.88 2pwy s ARG 214 Ca 0.04 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 2pwy s ARG 214 Cb -0.05 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2pwy s ARG 214 CO -0.00 0.34 1.53 -1.17 -0.81 0.00 0.00 175.30 175.19 2pwy s LEU 215 N 0.19 4.30 -0.13 -0.88 2.96 -1.26 -0.75 118.68 123.11 2pwy s LEU 215 Ca 0.13 2.15 0.06 0.00 -0.22 0.00 0.00 54.13 56.25 2pwy s LEU 215 Cb -0.12 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 2pwy s LEU 215 CO 0.02 -0.85 -0.04 -0.62 -1.32 0.00 0.00 176.35 173.54 2pwy n GLU 216 N 6.47 1.26 -3.77 1.98 1.02 0.14 -4.95 120.64 122.81 2pwy n GLU 216 Ca 0.16 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 2pwy n GLU 216 Cb 0.43 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.45 2pwy n GLU 216 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2pwy s ARG 217 N -2.29 0.42 -0.10 3.49 1.81 -0.98 -4.97 118.95 116.34 2pwy s ARG 217 Ca -0.13 0.32 -0.02 0.00 -1.72 0.00 0.00 55.73 54.19 2pwy s ARG 217 Cb 0.04 0.20 0.04 0.00 -0.45 0.00 0.00 34.95 34.78 2pwy s ARG 217 CO 0.41 -0.07 0.02 0.08 -0.68 0.00 0.00 175.30 175.05 2pwy s VAL 218 N -0.11 0.35 0.09 3.52 1.01 -1.26 -0.66 120.40 123.35 2pwy s VAL 218 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2pwy s VAL 218 Cb -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 2pwy s VAL 218 CO 0.01 0.14 0.12 -1.48 0.00 0.00 0.00 175.10 173.90 2pwy s LEU 219 N 1.97 1.72 -0.13 3.92 0.05 -0.18 -4.97 118.68 121.07 2pwy s LEU 219 Ca 0.04 -0.83 0.02 0.00 0.05 0.00 0.00 54.13 53.40 2pwy s LEU 219 Cb -0.13 0.74 -0.00 0.00 -2.05 0.00 0.00 46.19 44.74 2pwy s LEU 219 CO -0.06 -0.71 -0.19 -1.61 -0.55 0.00 0.00 176.35 173.24 2pwy s GLU 220 N -3.91 3.17 -0.06 1.48 2.02 -1.26 -0.91 118.70 119.23 2pwy s GLU 220 Ca 0.09 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 54.10 2pwy s GLU 220 Cb 0.06 -2.49 -0.05 0.00 0.10 0.00 0.00 34.13 31.75 2pwy s GLU 220 CO -0.08 0.11 0.52 0.08 0.02 0.00 0.00 175.26 175.91 2pwy s VAL 221 N 0.55 5.07 -0.05 2.63 1.01 -1.26 -5.07 120.40 123.28 2pwy s VAL 221 Ca -0.11 1.06 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2pwy s VAL 221 Cb -0.16 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2pwy s VAL 221 CO 0.04 0.39 -0.11 -0.83 0.00 0.00 0.00 175.10 174.59 2pwy s GLY 222 N 0.12 0.71 -0.39 4.51 0.00 -1.26 -4.89 107.32 106.12 2pwy s GLY 222 Ca 0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 44.72 44.62 2pwy s GLY 222 CO 0.13 0.06 0.15 -0.98 0.00 0.00 0.00 173.10 172.47 2pwy s TRP 223 N 0.52 3.65 -0.47 1.90 0.52 -1.26 -5.07 118.94 118.73 2pwy s TRP 223 Ca -0.11 -2.67 -0.21 0.00 0.02 0.00 0.00 56.10 53.13 2pwy s TRP 223 Cb -0.14 -3.10 0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2pwy s TRP 223 CO 0.02 -0.96 0.70 0.50 0.02 0.00 0.00 176.95 177.23 2pwy s ARG 224 N 0.99 3.26 0.16 4.98 3.52 -1.26 -4.93 118.95 125.67 2pwy s ARG 224 Ca 0.10 -0.45 -0.26 0.00 -0.13 0.00 0.00 55.73 54.99 2pwy s ARG 224 Cb -0.21 -4.00 -0.08 0.00 -1.56 0.00 0.00 34.95 29.10 2pwy s ARG 224 CO -0.06 -1.14 0.79 -1.21 -0.81 0.00 0.00 175.30 172.87 2pwy s GLU 225 N 2.99 4.59 0.04 5.12 0.41 -1.26 -4.97 118.70 125.61 2pwy s GLU 225 Ca 0.23 1.18 0.01 0.00 -0.41 0.00 0.00 54.97 55.98 2pwy s GLU 225 Cb -0.15 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 2pwy s GLU 225 CO 0.18 0.54 0.09 -1.58 -0.49 0.00 0.00 175.26 173.99 2pwy s TRP 226 N -1.04 3.25 -0.26 1.61 0.52 -1.26 -0.39 118.94 121.36 2pwy s TRP 226 Ca 0.37 0.14 -0.14 0.00 0.02 0.00 0.00 56.10 56.49 2pwy s TRP 226 Cb -0.23 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 2pwy s TRP 226 CO 0.26 0.54 0.33 -2.00 0.02 0.00 0.00 176.95 176.10 2pwy s GLU 227 N -2.11 4.02 -0.29 4.98 2.12 0.31 -4.77 118.70 122.94 2pwy s GLU 227 Ca 0.27 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.58 2pwy s GLU 227 Cb -0.12 -3.64 0.09 0.00 0.26 0.00 0.00 34.13 30.72 2pwy s GLU 227 CO 0.19 -0.22 0.05 0.08 -0.54 0.00 0.00 175.26 174.81 2pwy s VAL 228 N 1.90 1.41 -0.36 3.70 1.01 -1.26 -1.50 120.40 125.30 2pwy s VAL 228 Ca 0.13 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.54 2pwy s VAL 228 Cb -0.16 -1.95 0.14 0.00 0.00 0.00 0.00 36.38 34.42 2pwy s VAL 228 CO 0.10 -0.49 0.27 -0.13 0.00 0.00 0.00 175.10 174.84 2pwy s ARG 229 N 1.38 0.56 0.23 2.72 0.52 0.27 -5.00 118.95 119.63 2pwy s ARG 229 Ca 0.06 -1.11 -0.32 0.00 -0.52 0.00 0.00 55.73 53.84 2pwy s ARG 229 Cb -0.18 -1.07 -0.13 0.00 0.52 0.00 0.00 34.95 34.09 2pwy s ARG 229 CO -0.15 -1.20 1.50 1.28 0.02 0.00 0.00 175.30 176.75 2pwy n LEU 230 N 4.18 3.36 0.27 2.53 4.32 -1.26 -1.12 117.00 129.27 2pwy n LEU 230 Ca 0.11 1.12 0.17 0.00 -0.02 0.00 0.00 56.01 57.39 2pwy n LEU 230 Cb 0.40 -1.46 0.68 0.00 -1.62 0.00 0.00 43.42 41.42 2pwy n LEU 230 CO 0.11 -0.30 0.98 -0.65 -1.22 0.00 0.00 177.39 176.32 2pwy h PRO 231 N 4.84 0.00 -6.57 3.23 0.11 -2.03 -3.51 132.00 128.08 2pwy h PRO 231 Ca -0.45 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.13 2pwy h PRO 231 Cb 1.26 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.39 2pwy h PRO 231 CO 0.80 0.00 0.73 0.08 -0.21 0.00 0.00 178.00 179.41 2pwy s VAL 232 N -3.64 3.23 -0.34 3.15 1.01 -0.28 -4.99 120.40 118.54 2pwy s VAL 232 Ca 0.01 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.89 2pwy s VAL 232 Cb 0.09 -3.57 0.19 0.00 0.00 0.00 0.00 36.38 33.09 2pwy s VAL 232 CO 0.53 0.08 0.77 0.00 0.00 0.00 0.00 175.10 176.48 2pwy s ALA 233 N 1.00 -3.07 0.09 5.51 0.00 -1.24 -0.57 121.76 123.48 2pwy s ALA 233 Ca 0.64 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 53.25 2pwy s ALA 233 Cb -0.37 -2.75 0.06 0.00 0.00 0.00 0.00 23.12 20.06 2pwy s ALA 233 CO 0.31 -2.13 0.57 -3.38 0.00 0.00 0.00 175.76 171.14 2pwy s HIS 234 N 2.38 -0.50 0.46 0.00 -3.43 -0.56 -5.01 115.29 108.63 2pwy s HIS 234 Ca 0.16 0.48 -0.24 0.00 -0.80 0.00 0.00 55.06 54.66 2pwy s HIS 234 Cb -0.04 0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 31.47 2pwy s HIS 234 CO -0.17 -0.73 1.18 -2.30 -2.00 0.00 0.00 174.74 170.71 2pwy n PRO 235 N 0.10 1.62 -1.77 -0.38 -0.02 -1.26 -0.53 135.00 132.75 2pwy n PRO 235 Ca -0.18 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 2pwy n PRO 235 Cb 0.62 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2pwy n PRO 235 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pwy n ARG 236 N -0.21 2.65 -0.25 -0.52 1.74 0.48 -4.69 116.66 115.87 2pwy n ARG 236 Ca 0.09 0.93 -0.00 0.00 -0.77 0.00 0.00 57.85 58.09 2pwy n ARG 236 Cb 0.41 -2.66 0.21 0.00 -1.02 0.00 0.00 32.46 29.40 2pwy n ARG 236 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2pwy h PHE 237 N 3.05 1.01 -3.34 -1.55 0.04 -1.90 -3.39 116.94 110.85 2pwy h PHE 237 Ca -0.50 0.01 -0.65 0.00 2.80 0.00 0.00 57.97 59.63 2pwy h PHE 237 Cb 1.24 -0.34 -0.26 0.00 2.20 0.00 0.00 35.95 38.79 2pwy h PHE 237 CO 0.53 0.66 -0.73 -0.65 -0.60 0.00 0.00 178.31 177.52 2pwy s GLN 238 N -5.85 3.45 0.18 1.51 -1.52 -1.26 -5.12 119.66 111.05 2pwy s GLN 238 Ca -0.11 -0.62 0.04 0.00 -1.95 0.00 0.00 55.36 52.72 2pwy s GLN 238 Cb 0.18 -2.85 -0.05 0.00 -0.22 0.00 0.00 33.01 30.07 2pwy s GLN 238 CO 0.79 0.05 -0.07 -0.65 -0.25 0.00 0.00 175.29 175.17 2pwy s GLN 239 N 0.81 1.17 -0.14 2.91 -1.52 -1.26 -5.03 119.66 116.60 2pwy s GLN 239 Ca -0.03 -1.54 -0.29 0.00 -1.95 0.00 0.00 55.36 51.56 2pwy s GLN 239 Cb -0.15 -0.65 -0.04 0.00 -0.22 0.00 0.00 33.01 31.95 2pwy s GLN 239 CO 0.01 0.02 1.65 0.08 -0.25 0.00 0.00 175.29 176.81 2pwy s VAL 240 N -3.34 3.63 0.06 1.09 1.01 -1.26 -4.91 120.40 116.67 2pwy s VAL 240 Ca 0.21 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 2pwy s VAL 240 Cb 0.03 -3.56 -0.29 0.00 0.00 0.00 0.00 36.38 32.57 2pwy s VAL 240 CO 0.04 -0.16 1.06 1.23 0.00 0.00 0.00 175.10 177.27 2pwy h GLY 241 N 11.07 0.32 -4.75 4.51 0.00 -2.00 -3.48 103.07 108.75 2pwy h GLY 241 Ca -0.37 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.12 2pwy h GLY 241 CO 0.98 0.73 0.23 -1.58 0.00 0.00 0.00 176.54 176.90 2pwy s HIS 242 N -2.64 -0.67 0.08 5.60 2.46 -1.26 -5.07 115.29 113.79 2pwy s HIS 242 Ca -0.05 1.48 0.00 0.00 0.47 0.00 0.00 55.06 56.95 2pwy s HIS 242 Cb 0.07 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 2pwy s HIS 242 CO 0.88 -0.41 0.00 0.25 -2.47 0.00 0.00 174.74 172.99 2pwy n THR 243 N 1.96 0.91 -3.54 0.89 -2.24 -1.26 -5.14 114.28 105.86 2pwy n THR 243 Ca -0.15 0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 2pwy n THR 243 Cb 0.56 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 2pwy n THR 243 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwy s ALA 244 N -2.00 -1.53 0.24 6.98 0.00 -1.26 -4.42 121.76 119.77 2pwy s ALA 244 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 2pwy s ALA 244 Cb 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.88 2pwy s ALA 244 CO 0.00 -0.84 0.65 -0.06 0.00 0.00 0.00 175.76 175.52 2pwy s PHE 245 N -3.73 3.49 -0.13 0.00 0.08 0.96 -4.54 117.98 114.10 2pwy s PHE 245 Ca 0.04 1.14 -0.02 0.00 0.12 0.00 0.00 56.93 58.21 2pwy s PHE 245 Cb -0.02 -2.45 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2pwy s PHE 245 CO -0.08 0.25 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.74 2pwy s LEU 246 N -2.53 3.20 -0.13 -0.37 1.43 -0.09 -0.77 118.68 119.42 2pwy s LEU 246 Ca 0.47 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2pwy s LEU 246 Cb -0.13 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2pwy s LEU 246 CO 0.19 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 176.10 2pwy s VAL 247 N 0.08 1.85 -0.16 -1.59 1.01 -0.03 -1.01 120.40 120.56 2pwy s VAL 247 Ca -0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 2pwy s VAL 247 Cb -0.14 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2pwy s VAL 247 CO 0.03 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 2pwy s ALA 248 N 0.89 2.51 -0.11 5.51 0.00 0.17 -0.83 121.76 129.90 2pwy s ALA 248 Ca -0.07 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.85 2pwy s ALA 248 Cb -0.15 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 2pwy s ALA 248 CO -0.02 -0.10 -0.20 -0.51 0.00 0.00 0.00 175.76 174.93 2pwy s LEU 249 N 0.92 2.34 -0.22 0.00 1.43 0.07 -0.68 118.68 122.53 2pwy s LEU 249 Ca -0.03 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2pwy s LEU 249 Cb -0.15 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2pwy s LEU 249 CO -0.02 0.18 0.05 -0.60 0.23 0.00 0.00 176.35 176.19 2pwy s ARG 250 N 0.26 3.72 0.14 1.70 3.52 0.07 -0.75 118.95 127.61 2pwy s ARG 250 Ca -0.14 -0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 54.70 2pwy s ARG 250 Cb -0.17 -3.25 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 2pwy s ARG 250 CO 0.07 -0.05 1.41 0.50 -0.81 0.00 0.00 175.30 176.42 2pwy s ARG 251 N 1.22 4.31 0.56 5.12 6.06 0.46 -0.78 118.95 135.90 2pwy s ARG 251 Ca 0.04 2.13 0.04 0.00 -2.50 0.00 0.00 55.73 55.44 2pwy s ARG 251 Cb -0.14 -3.22 0.06 0.00 0.06 0.00 0.00 34.95 31.71 2pwy s ARG 251 CO 0.03 -0.43 0.78 1.67 -2.50 0.00 0.00 175.30 174.85 2pwy s TRP 252 N 0.87 2.33 -0.20 5.12 -2.14 -0.55 0.34 118.94 124.71 2pwy s TRP 252 Ca 0.64 -0.28 -0.17 0.00 2.66 0.00 0.00 56.10 58.95 2pwy s TRP 252 Cb -0.38 -2.63 -0.04 0.00 -3.10 0.00 0.00 33.47 27.32 2pwy s TRP 252 CO 0.33 -1.00 0.43 -1.59 -2.66 0.00 0.00 176.95 172.46 2pwy s LYS 253 N -4.73 4.18 0.00 3.25 0.00 -1.26 -4.59 119.74 116.59 2pwy s LYS 253 Ca 0.59 0.26 0.17 0.00 0.00 0.00 0.00 55.97 57.00 2pwy s LYS 253 Cb -0.08 -3.54 1.04 0.00 0.00 0.00 0.00 37.83 35.24 2pwy s LYS 253 CO 0.39 -0.07 1.44 0.41 0.00 0.00 0.00 175.35 177.52