#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s63 s SER 16 N 0.00 6.39 0.69 4.04 0.01 -1.26 -5.08 113.70 118.49 1s63 s SER 16 Ca 0.00 0.39 -0.14 0.00 1.31 0.00 0.00 55.95 57.51 1s63 s SER 16 Cb 0.00 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.24 1s63 s SER 16 CO 0.00 -0.01 1.11 -2.84 0.41 0.00 0.00 173.24 171.92 1s63 s PRO 17 N -3.17 2.59 0.58 12.44 0.02 -1.26 -4.88 135.00 141.33 1s63 s PRO 17 Ca 0.38 1.37 0.39 0.00 0.02 0.00 0.00 61.00 63.16 1s63 s PRO 17 Cb -0.11 -1.93 2.13 0.00 0.02 0.00 0.00 34.50 34.61 1s63 s PRO 17 CO 0.28 -1.41 2.20 -0.39 -0.33 0.00 0.00 177.00 177.36 1s63 h VAL 18 N -0.29 0.00 -0.16 3.83 -1.51 -2.04 -2.48 116.25 113.60 1s63 h VAL 18 Ca -0.46 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1s63 h VAL 18 Cb 1.25 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1s63 h VAL 18 CO 0.53 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 174.20 1s63 n TRP 19 N -2.88 0.21 -4.16 5.19 4.27 -1.26 -4.79 117.44 114.02 1s63 n TRP 19 Ca -0.03 -0.10 -0.18 0.00 -3.89 0.00 0.00 57.50 53.30 1s63 n TRP 19 Cb 0.07 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.86 1s63 n TRP 19 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1s63 s SER 20 N -1.58 0.78 -0.22 -0.67 0.15 -0.93 -4.20 113.70 107.03 1s63 s SER 20 Ca 0.32 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 1s63 s SER 20 Cb 0.17 -0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.29 1s63 s SER 20 CO 0.26 -0.00 0.06 -0.70 1.20 0.00 0.00 173.24 174.06 1s63 s GLU 21 N 0.47 0.54 0.38 5.44 2.12 0.19 -4.52 118.70 123.32 1s63 s GLU 21 Ca -0.06 -0.49 -0.26 0.00 0.36 0.00 0.00 54.97 54.52 1s63 s GLU 21 Cb -0.09 -1.96 -0.11 0.00 0.26 0.00 0.00 34.13 32.23 1s63 s GLU 21 CO -0.00 -0.74 1.15 -2.30 -0.54 0.00 0.00 175.26 172.82 1s63 n PRO 22 N 5.07 1.69 -5.04 4.30 -0.02 -1.26 -4.80 135.00 134.94 1s63 n PRO 22 Ca -0.07 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 1s63 n PRO 22 Cb 0.46 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 1s63 n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s63 s LEU 23 N -0.78 2.38 0.22 2.45 1.43 -1.26 -5.03 118.68 118.10 1s63 s LEU 23 Ca 0.60 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1s63 s LEU 23 Cb -0.57 -1.44 0.25 0.00 0.03 0.00 0.00 46.19 44.46 1s63 s LEU 23 CO 0.59 0.32 1.82 0.22 0.23 0.00 0.00 176.35 179.53 1s63 h TYR 24 N 5.24 0.76 0.00 0.29 3.20 -1.95 -1.75 116.97 122.77 1s63 h TYR 24 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1s63 h TYR 24 Cb 1.14 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1s63 h TYR 24 CO 0.46 0.37 0.00 0.43 -1.64 0.00 0.00 178.16 177.78 1s63 n SER 25 N -4.74 0.53 -0.75 -2.11 7.64 -1.26 -2.66 113.62 110.27 1s63 n SER 25 Ca 0.09 0.64 0.09 0.00 1.01 0.00 0.00 58.87 60.70 1s63 n SER 25 Cb 0.16 -0.75 0.08 0.00 -1.01 0.00 0.00 64.21 62.70 1s63 n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s63 n LEU 26 N -2.09 2.56 -4.75 -3.43 4.77 -0.67 -4.88 117.00 108.50 1s63 n LEU 26 Ca 0.02 -1.00 -0.37 0.00 -0.03 0.00 0.00 56.01 54.63 1s63 n LEU 26 Cb 0.21 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1s63 n LEU 26 CO 0.18 0.45 0.91 -0.13 -1.33 0.00 0.00 177.39 177.46 1s63 s ARG 27 N -1.56 3.21 0.43 3.23 0.52 -1.09 -4.91 118.95 118.78 1s63 s ARG 27 Ca 0.22 2.01 0.09 0.00 -0.52 0.00 0.00 55.73 57.53 1s63 s ARG 27 Cb 0.16 -2.18 0.92 0.00 0.52 0.00 0.00 34.95 34.37 1s63 s ARG 27 CO 0.23 -1.07 2.04 -1.00 0.02 0.00 0.00 175.30 175.53 1s63 h PRO 28 N 1.40 0.36 0.00 3.54 0.13 -1.94 -1.30 132.00 134.19 1s63 h PRO 28 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1s63 h PRO 28 Cb 1.29 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1s63 h PRO 28 CO 0.57 0.29 0.00 0.93 -0.23 0.00 0.00 178.00 179.56 1s63 h GLU 29 N 0.37 0.00 0.00 0.86 3.07 -1.95 -2.95 114.58 113.97 1s63 h GLU 29 Ca 0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1s63 h GLU 29 Cb 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1s63 h GLU 29 CO -0.01 0.00 -0.06 1.25 -1.40 0.00 0.00 179.01 178.79 1s63 h HIS 30 N 0.00 0.00 -0.00 4.33 2.76 -1.53 -1.25 115.15 119.46 1s63 h HIS 30 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1s63 h HIS 30 Cb 0.37 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.33 1s63 h HIS 30 CO 0.00 0.06 0.00 0.00 -1.30 0.00 0.00 177.93 176.69 1s63 h ALA 31 N 1.94 1.70 0.00 5.26 0.00 -1.69 -0.26 119.26 126.21 1s63 h ALA 31 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s63 h ALA 31 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1s63 h ALA 31 CO 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1s63 h ARG 32 N 0.00 0.00 -0.00 0.00 -0.00 -1.45 -2.75 114.38 110.18 1s63 h ARG 32 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1s63 h ARG 32 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.98 1s63 h ARG 32 CO -0.00 0.00 -0.01 0.39 0.00 0.00 0.00 179.97 180.35 1s63 n GLU 33 N -2.77 1.16 -1.60 0.04 -0.58 -0.11 -4.89 120.64 111.89 1s63 n GLU 33 Ca -0.00 -0.28 -0.34 0.00 -0.42 0.00 0.00 57.16 56.12 1s63 n GLU 33 Cb 0.18 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.63 1s63 n GLU 33 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1s63 s ARG 34 N -2.03 2.44 0.26 3.49 1.81 -1.04 -4.15 118.95 119.73 1s63 s ARG 34 Ca 0.44 1.64 -0.30 0.00 -1.72 0.00 0.00 55.73 55.79 1s63 s ARG 34 Cb 0.22 -1.88 -0.13 0.00 -0.45 0.00 0.00 34.95 32.70 1s63 s ARG 34 CO 0.37 -1.58 1.37 -0.11 -0.68 0.00 0.00 175.30 174.66 1s63 n LEU 35 N -2.50 3.16 -4.20 2.53 7.94 -1.26 -4.97 117.00 117.69 1s63 n LEU 35 Ca 0.12 1.16 -0.37 0.00 -1.11 0.00 0.00 56.01 55.81 1s63 n LEU 35 Cb 0.51 -1.44 -0.12 0.00 0.53 0.00 0.00 43.42 42.90 1s63 n LEU 35 CO 0.47 -0.52 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.92 1s63 s GLN 36 N -0.77 2.37 0.00 1.96 -0.21 -1.26 -4.96 119.66 116.79 1s63 s GLN 36 Ca 0.65 -1.48 0.18 0.00 0.02 0.00 0.00 55.36 54.73 1s63 s GLN 36 Cb -0.63 -3.51 0.75 0.00 1.00 0.00 0.00 33.01 30.62 1s63 s GLN 36 CO 0.53 -0.86 1.53 -0.40 -2.12 0.00 0.00 175.29 173.97 1s63 n ASP 37 N 4.72 1.13 -1.69 5.90 5.68 -1.26 -4.92 116.55 126.11 1s63 n ASP 37 Ca -0.09 -1.68 -0.16 0.00 -0.50 0.00 0.00 54.79 52.37 1s63 n ASP 37 Cb 0.43 -0.08 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 1s63 n ASP 37 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1s63 n ASP 38 N -0.01 -4.29 -1.28 -1.12 8.00 -1.26 -0.78 116.55 115.81 1s63 n ASP 38 Ca 0.14 0.32 -0.17 0.00 0.71 0.00 0.00 54.79 55.80 1s63 n ASP 38 Cb 0.23 -3.83 -0.07 0.00 -0.02 0.00 0.00 41.12 37.43 1s63 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1s63 n SER 39 N -1.06 -5.00 -3.99 -2.24 7.64 -1.26 -4.96 113.62 102.75 1s63 n SER 39 Ca -0.16 0.41 -0.31 0.00 1.01 0.00 0.00 58.87 59.81 1s63 n SER 39 Cb 0.55 -3.97 -0.15 0.00 -1.01 0.00 0.00 64.21 59.63 1s63 n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1s63 s VAL 40 N -2.62 2.09 0.01 0.44 1.01 0.04 -5.10 120.40 116.27 1s63 s VAL 40 Ca 0.00 -2.15 -0.20 0.00 0.00 0.00 0.00 61.98 59.64 1s63 s VAL 40 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1s63 s VAL 40 CO 0.00 -0.54 0.57 -1.61 0.00 0.00 0.00 175.10 173.52 1s63 s GLU 41 N 1.01 4.27 0.20 2.72 2.02 -1.26 -4.91 118.70 122.74 1s63 s GLU 41 Ca 0.09 0.70 -0.02 0.00 0.02 0.00 0.00 54.97 55.75 1s63 s GLU 41 Cb -0.19 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1s63 s GLU 41 CO -0.10 0.44 0.15 0.95 0.02 0.00 0.00 175.26 176.73 1s63 s THR 42 N -0.41 0.01 0.29 3.63 -4.23 -1.26 -5.02 115.64 108.65 1s63 s THR 42 Ca 0.30 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1s63 s THR 42 Cb -0.18 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.51 1s63 s THR 42 CO 0.17 -0.04 1.77 0.58 -0.54 0.00 0.00 174.62 176.56 1s63 h VAL 43 N 2.61 0.71 0.15 2.29 2.07 -1.99 -1.38 116.25 120.71 1s63 h VAL 43 Ca -0.35 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1s63 h VAL 43 Cb 1.25 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1s63 h VAL 43 CO 0.52 0.13 -0.11 0.74 0.02 0.00 0.00 177.57 178.87 1s63 h THR 44 N 0.71 0.77 -0.34 2.57 2.02 -1.96 -1.50 112.91 115.17 1s63 h THR 44 Ca 0.53 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.62 1s63 h THR 44 Cb 0.80 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1s63 h THR 44 CO -0.38 0.00 -0.16 0.77 0.37 0.00 0.00 175.52 176.12 1s63 h SER 45 N -0.26 0.62 -0.49 4.18 4.64 -1.77 -1.62 113.55 118.85 1s63 h SER 45 Ca -0.01 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1s63 h SER 45 Cb 0.23 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1s63 h SER 45 CO -0.00 0.79 0.22 0.40 -0.87 0.00 0.00 176.83 177.37 1s63 h ILE 46 N 0.56 1.20 -0.43 0.95 2.04 -1.11 -0.26 117.51 120.46 1s63 h ILE 46 Ca 0.09 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1s63 h ILE 46 Cb 0.60 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1s63 h ILE 46 CO 0.04 0.23 -0.21 -0.33 0.00 0.00 0.00 178.15 177.87 1s63 h GLU 47 N 0.65 0.90 -0.39 2.37 4.39 -1.06 -2.08 114.58 119.35 1s63 h GLU 47 Ca 0.17 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1s63 h GLU 47 Cb 0.15 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1s63 h GLU 47 CO -0.02 1.04 0.22 0.37 -1.16 0.00 0.00 179.01 179.46 1s63 h GLN 48 N 0.72 0.54 -0.79 2.33 5.75 -1.12 -2.16 115.11 120.39 1s63 h GLN 48 Ca 0.09 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1s63 h GLN 48 Cb 0.78 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.19 1s63 h GLN 48 CO 0.06 0.44 0.40 0.00 -2.65 0.00 0.00 178.83 177.08 1s63 h ALA 49 N 1.08 1.21 -0.67 3.38 0.00 -0.98 -0.60 119.26 122.68 1s63 h ALA 49 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s63 h ALA 49 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1s63 h ALA 49 CO -0.02 0.61 0.33 0.87 0.00 0.00 0.00 179.25 181.04 1s63 h LYS 50 N 1.11 0.96 -0.22 0.00 1.57 -1.02 -0.83 116.57 118.13 1s63 h LYS 50 Ca 0.27 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1s63 h LYS 50 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1s63 h LYS 50 CO -0.04 0.75 -0.01 0.28 -0.57 0.00 0.00 179.45 179.86 1s63 h VAL 51 N 0.92 1.26 -0.72 0.50 2.07 -0.88 -2.65 116.25 116.76 1s63 h VAL 51 Ca 0.23 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1s63 h VAL 51 Cb 0.10 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1s63 h VAL 51 CO -0.03 0.29 0.45 -0.33 0.02 0.00 0.00 177.57 177.96 1s63 h GLU 52 N 0.16 0.97 -0.28 1.57 5.08 -0.90 -0.56 114.58 120.62 1s63 h GLU 52 Ca 0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1s63 h GLU 52 Cb 0.43 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1s63 h GLU 52 CO 0.01 0.67 0.18 1.49 -1.00 0.00 0.00 179.01 180.36 1s63 h GLU 53 N 0.99 0.37 -0.37 2.33 4.57 -1.01 -0.29 114.58 121.16 1s63 h GLU 53 Ca 0.26 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1s63 h GLU 53 Cb -0.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1s63 h GLU 53 CO -0.05 0.27 0.08 -0.22 -1.18 0.00 0.00 179.01 177.91 1s63 h LYS 54 N 0.37 0.61 -0.91 1.92 1.63 -1.07 -2.90 116.57 116.21 1s63 h LYS 54 Ca 0.10 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1s63 h LYS 54 Cb -0.02 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 1s63 h LYS 54 CO -0.02 0.65 0.51 0.82 -3.45 0.00 0.00 179.45 177.96 1s63 h ILE 55 N 0.46 1.26 -0.78 2.00 1.08 -0.86 -1.92 117.51 118.75 1s63 h ILE 55 Ca 0.12 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1s63 h ILE 55 Cb 0.32 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 1s63 h ILE 55 CO 0.00 0.29 0.49 -0.61 -0.69 0.00 0.00 178.15 177.63 1s63 h GLN 56 N 1.27 1.05 -0.62 2.37 5.75 -0.95 0.74 115.11 124.71 1s63 h GLN 56 Ca 0.32 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 1s63 h GLN 56 Cb 0.01 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1s63 h GLN 56 CO -0.05 0.72 0.41 0.93 -2.65 0.00 0.00 178.83 178.19 1s63 h GLU 57 N 1.06 0.82 -0.01 1.69 5.08 -1.22 -0.19 114.58 121.81 1s63 h GLU 57 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1s63 h GLU 57 Cb -0.08 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1s63 h GLU 57 CO -0.06 0.54 0.00 0.28 -1.00 0.00 0.00 179.01 178.78 1s63 h VAL 58 N 0.84 1.11 -0.44 3.13 2.07 -0.72 -2.63 116.25 119.61 1s63 h VAL 58 Ca 0.23 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1s63 h VAL 58 Cb -0.10 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1s63 h VAL 58 CO -0.05 0.08 0.05 -0.26 0.02 0.00 0.00 177.57 177.41 1s63 h PHE 59 N -0.12 0.07 -0.07 1.57 0.05 -0.54 -1.52 116.94 116.39 1s63 h PHE 59 Ca 0.00 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.84 1s63 h PHE 59 Cb 0.13 0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.11 1s63 h PHE 59 CO -0.03 -0.04 0.05 0.77 -0.18 0.00 0.00 178.31 178.88 1s63 h SER 60 N 0.17 0.00 0.66 2.17 0.02 -0.94 -1.83 113.55 113.80 1s63 h SER 60 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1s63 h SER 60 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1s63 h SER 60 CO -0.31 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 173.84 1s63 n SER 61 N -4.50 0.32 -1.03 3.07 3.41 -0.57 -2.15 113.62 112.16 1s63 n SER 61 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1s63 n SER 61 Cb 0.16 -0.64 0.17 0.00 -0.26 0.00 0.00 64.21 63.63 1s63 n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1s63 n TYR 62 N -1.85 0.23 -5.10 7.33 4.02 -0.69 -4.92 117.16 116.19 1s63 n TYR 62 Ca 0.03 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.90 57.49 1s63 n TYR 62 Cb 0.21 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.38 1s63 n TYR 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1s63 s LYS 63 N -1.77 2.67 -0.53 -0.72 2.20 -0.91 -4.37 119.74 116.31 1s63 s LYS 63 Ca 0.33 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 1s63 s LYS 63 Cb 0.21 -2.29 0.22 0.00 -1.51 0.00 0.00 37.83 34.47 1s63 s LYS 63 CO 0.31 0.41 0.56 1.19 -0.36 0.00 0.00 175.35 177.46 1s63 n PHE 64 N 2.89 1.48 0.00 4.03 3.01 -0.18 -4.98 117.46 123.70 1s63 n PHE 64 Ca -0.17 -3.84 0.00 0.00 1.01 0.00 0.00 57.45 54.44 1s63 n PHE 64 Cb 0.52 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1s63 n PHE 64 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1s63 n ASN 65 N 1.56 0.00 -0.06 4.37 3.02 -1.26 -0.78 115.26 122.11 1s63 n ASN 65 Ca 0.25 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.95 1s63 n ASN 65 Cb 0.45 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.30 1s63 n ASN 65 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1s63 n HIS 66 N 14.00 0.00 -3.21 3.10 -0.00 -1.26 -4.68 115.22 123.17 1s63 n HIS 66 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1s63 n HIS 66 Cb 0.00 -0.22 -0.07 0.00 -0.12 0.00 0.00 29.99 29.57 1s63 n HIS 66 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1s63 s LEU 67 N -2.51 4.10 -0.47 0.27 2.96 0.04 -5.00 118.68 118.07 1s63 s LEU 67 Ca 0.29 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1s63 s LEU 67 Cb 0.20 -2.69 0.14 0.00 0.50 0.00 0.00 46.19 44.35 1s63 s LEU 67 CO 0.47 -0.35 0.28 -0.69 -1.32 0.00 0.00 176.35 174.75 1s63 s VAL 68 N 2.38 1.44 0.48 1.68 1.01 -1.26 -1.01 120.40 125.12 1s63 s VAL 68 Ca 0.22 -2.78 -0.23 0.00 0.00 0.00 0.00 61.98 59.19 1s63 s VAL 68 Cb -0.15 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1s63 s VAL 68 CO 0.10 -0.95 1.12 -2.65 0.00 0.00 0.00 175.10 172.71 1s63 n PRO 69 N 3.26 1.46 -1.75 2.72 -0.02 -1.26 -0.64 135.00 138.76 1s63 n PRO 69 Ca 0.13 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1s63 n PRO 69 Cb 0.36 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1s63 n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s63 n ARG 70 N -0.29 2.39 -2.44 -0.52 1.74 -1.26 -4.70 116.66 111.59 1s63 n ARG 70 Ca 0.10 0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 57.67 1s63 n ARG 70 Cb 0.42 -2.58 -0.02 0.00 -1.02 0.00 0.00 32.46 29.26 1s63 n ARG 70 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1s63 s LEU 71 N -2.04 3.93 -0.08 0.55 1.43 -1.26 -4.74 118.68 116.47 1s63 s LEU 71 Ca 0.57 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.75 1s63 s LEU 71 Cb -0.49 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.33 1s63 s LEU 71 CO 0.61 -0.82 -0.10 -0.69 0.23 0.00 0.00 176.35 175.58 1s63 s VAL 72 N -1.79 1.07 -0.23 -1.59 1.01 -1.26 -1.90 120.40 115.71 1s63 s VAL 72 Ca 0.65 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1s63 s VAL 72 Cb -0.21 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1s63 s VAL 72 CO 0.26 0.35 0.93 -0.22 0.00 0.00 0.00 175.10 176.42 1s63 s LEU 73 N 1.01 4.09 -1.35 3.92 2.96 -1.26 -4.94 118.68 123.11 1s63 s LEU 73 Ca -0.08 1.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.92 1s63 s LEU 73 Cb -0.15 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 1s63 s LEU 73 CO -0.00 -0.59 2.48 0.00 -1.32 0.00 0.00 176.35 176.92 1s63 n GLN 74 N 6.13 2.91 -0.23 1.98 1.13 -1.26 -4.78 117.38 123.25 1s63 n GLN 74 Ca 0.09 -2.14 -0.07 0.00 -1.94 0.00 0.00 57.00 52.94 1s63 n GLN 74 Cb 0.47 -2.89 -0.02 0.00 0.11 0.00 0.00 30.24 27.91 1s63 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s63 h ARG 75 N 5.87 -0.17 -0.99 -1.09 3.08 -1.96 -1.40 114.38 117.71 1s63 h ARG 75 Ca 0.67 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.75 1s63 h ARG 75 Cb 0.41 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1s63 h ARG 75 CO 1.78 -0.12 0.65 0.93 -1.07 0.00 0.00 179.97 182.14 1s63 h GLU 76 N -0.18 1.26 -0.34 0.04 4.39 -1.99 0.27 114.58 118.03 1s63 h GLU 76 Ca 0.21 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 1s63 h GLU 76 Cb 0.56 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1s63 h GLU 76 CO -0.72 0.83 -0.17 0.87 -1.16 0.00 0.00 179.01 178.66 1s63 h LYS 77 N 1.30 0.72 -0.51 2.33 1.57 -1.78 -1.45 116.57 118.75 1s63 h LYS 77 Ca 0.38 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1s63 h LYS 77 Cb -0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1s63 h LYS 77 CO -0.10 0.92 0.20 0.45 -0.57 0.00 0.00 179.45 180.35 1s63 h HIS 78 N 0.50 0.78 -0.48 -1.35 3.86 -0.86 -2.19 115.15 115.41 1s63 h HIS 78 Ca 0.07 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1s63 h HIS 78 Cb 0.71 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 1s63 h HIS 78 CO 0.06 0.65 0.24 0.35 0.86 0.00 0.00 177.93 180.09 1s63 h PHE 79 N 0.69 0.44 -0.38 2.45 3.57 -0.34 -0.86 116.94 122.51 1s63 h PHE 79 Ca 0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1s63 h PHE 79 Cb 0.20 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1s63 h PHE 79 CO 0.01 0.22 -0.06 0.45 -2.23 0.00 0.00 178.31 176.69 1s63 h HIS 80 N 0.48 0.68 -0.34 0.41 3.86 -1.06 0.37 115.15 119.56 1s63 h HIS 80 Ca 0.21 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1s63 h HIS 80 Cb 0.12 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1s63 h HIS 80 CO -0.10 0.69 -0.03 -0.92 0.86 0.00 0.00 177.93 178.43 1s63 h TYR 81 N 0.59 0.67 -0.21 2.45 3.20 -0.94 -2.55 116.97 120.19 1s63 h TYR 81 Ca 0.11 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1s63 h TYR 81 Cb 0.47 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1s63 h TYR 81 CO 0.02 0.75 0.02 -0.07 -1.64 0.00 0.00 178.16 177.23 1s63 h LEU 82 N 0.41 0.35 -0.83 2.82 3.38 -0.87 -1.94 115.31 118.63 1s63 h LEU 82 Ca 0.09 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1s63 h LEU 82 Cb 0.50 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1s63 h LEU 82 CO 0.02 0.55 0.50 0.50 0.09 0.00 0.00 178.44 180.10 1s63 h LYS 83 N 0.14 0.87 -0.25 1.13 3.64 -0.93 -1.34 116.57 119.83 1s63 h LYS 83 Ca 0.06 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1s63 h LYS 83 Cb 0.36 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1s63 h LYS 83 CO 0.01 0.57 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.60 1s63 h ARG 84 N 0.89 0.48 -0.01 1.90 9.65 -1.38 -3.15 114.38 122.76 1s63 h ARG 84 Ca 0.37 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1s63 h ARG 84 Cb 0.22 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1s63 h ARG 84 CO -0.19 0.72 -0.13 0.78 2.80 0.00 0.00 179.97 183.94 1s63 h GLY 85 N 0.22 0.02 2.00 2.80 0.00 -0.76 -2.29 103.07 105.06 1s63 h GLY 85 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1s63 h GLY 85 CO 0.03 0.01 -0.07 -2.00 0.00 0.00 0.00 176.54 174.51 1s63 h LEU 86 N 0.02 0.00 0.00 3.11 5.85 -1.22 -3.28 115.31 119.79 1s63 h LEU 86 Ca 0.00 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.33 1s63 h LEU 86 Cb 0.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1s63 h LEU 86 CO 0.02 0.07 -2.36 0.54 -0.34 0.00 0.00 178.44 176.37 1s63 n ARG 87 N -3.48 0.54 -3.97 1.25 5.12 -0.91 -5.06 116.66 110.16 1s63 n ARG 87 Ca -0.02 0.20 -0.09 0.00 -1.93 0.00 0.00 57.85 56.01 1s63 n ARG 87 Cb 0.20 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 29.99 1s63 n ARG 87 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1s63 s GLN 88 N -2.46 0.38 0.03 5.56 0.74 -0.93 -5.16 119.66 117.83 1s63 s GLN 88 Ca -0.33 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.45 1s63 s GLN 88 Cb 0.11 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 1s63 s GLN 88 CO 0.47 -0.07 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.58 1s63 s LEU 89 N -1.60 2.28 0.84 3.68 1.43 -1.26 -4.22 118.68 119.82 1s63 s LEU 89 Ca -0.13 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 1s63 s LEU 89 Cb -0.08 0.01 0.10 0.00 0.03 0.00 0.00 46.19 46.25 1s63 s LEU 89 CO -0.01 -0.30 1.14 0.42 0.23 0.00 0.00 176.35 177.82 1s63 s THR 90 N -1.73 2.37 -1.76 5.49 -4.23 -1.26 -4.90 115.64 109.63 1s63 s THR 90 Ca -0.11 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 1s63 s THR 90 Cb -0.08 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.99 1s63 s THR 90 CO -0.01 -0.16 1.02 -0.90 -0.54 0.00 0.00 174.62 174.03 1s63 n ASP 91 N -3.50 0.00 0.14 3.99 5.68 -1.26 -0.87 116.55 120.74 1s63 n ASP 91 Ca 0.07 -0.08 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 1s63 n ASP 91 Cb 0.59 -0.12 0.51 0.00 -1.14 0.00 0.00 41.12 40.96 1s63 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s63 h ALA 92 N 2.45 1.00 -0.55 2.12 0.00 -2.06 -2.13 119.26 120.10 1s63 h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s63 h ALA 92 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s63 h ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1s63 n TYR 93 N -2.30 0.73 0.27 0.00 4.02 -0.05 -4.29 117.16 115.55 1s63 n TYR 93 Ca 0.02 -0.36 0.12 0.00 -0.01 0.00 0.00 57.90 57.67 1s63 n TYR 93 Cb 0.22 0.00 0.77 0.00 -0.02 0.00 0.00 39.34 40.31 1s63 n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1s63 h GLU 94 N 3.32 0.00 0.00 -0.72 5.08 -1.58 -0.31 114.58 120.37 1s63 h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s63 h GLU 94 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1s63 h GLU 94 CO 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 1s63 n LEU 96 N -1.92 3.45 0.26 0.00 4.77 -0.13 -4.66 117.00 118.78 1s63 n LEU 96 Ca 0.03 -3.10 0.17 0.00 -0.03 0.00 0.00 56.01 53.09 1s63 n LEU 96 Cb 0.22 -0.52 0.82 0.00 -2.33 0.00 0.00 43.42 41.61 1s63 n LEU 96 CO 0.18 0.73 1.01 -0.78 -1.33 0.00 0.00 177.39 177.20 1s63 h ASP 97 N 1.23 0.00 -0.45 -1.43 3.58 -1.42 -0.61 116.42 117.32 1s63 h ASP 97 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1s63 h ASP 97 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1s63 h ASP 97 CO 0.17 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.53 1s63 n ALA 98 N -1.99 3.38 -2.50 -0.78 0.00 -1.26 -4.34 120.51 113.01 1s63 n ALA 98 Ca -0.01 -2.01 0.02 0.00 0.00 0.00 0.00 53.44 51.45 1s63 n ALA 98 Cb 0.18 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 18.73 1s63 n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s63 n SER 99 N 0.23 0.84 -0.12 0.00 7.64 -0.24 -4.05 113.62 117.92 1s63 n SER 99 Ca 0.24 -2.01 0.02 0.00 1.01 0.00 0.00 58.87 58.13 1s63 n SER 99 Cb 1.01 -0.25 0.32 0.00 -1.01 0.00 0.00 64.21 64.28 1s63 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1s63 h ARG 100 N 1.12 0.79 0.00 1.43 3.08 -1.00 -0.82 114.38 118.99 1s63 h ARG 100 Ca -0.25 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1s63 h ARG 100 Cb 1.76 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1s63 h ARG 100 CO 0.07 0.54 -0.11 -1.35 -1.07 0.00 0.00 179.97 178.05 1s63 h PRO 101 N 0.81 0.00 -0.40 0.04 0.11 -1.84 -1.19 132.00 129.53 1s63 h PRO 101 Ca 0.22 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 1s63 h PRO 101 Cb -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1s63 h PRO 101 CO -0.04 0.11 -0.08 -1.49 -0.21 0.00 0.00 178.00 176.28 1s63 h TRP 102 N 0.00 0.86 -0.94 0.65 4.06 -1.46 -0.58 115.95 118.54 1s63 h TRP 102 Ca -0.00 -0.18 -0.00 0.00 2.06 0.00 0.00 58.89 60.77 1s63 h TRP 102 Cb 0.37 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.27 1s63 h TRP 102 CO 0.00 0.88 0.58 -0.07 -3.56 0.00 0.00 178.44 176.27 1s63 h LEU 103 N 0.58 1.12 -0.09 -4.49 3.38 -1.00 0.18 115.31 114.99 1s63 h LEU 103 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s63 h LEU 103 Cb 0.60 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s63 h LEU 103 CO 0.04 0.85 0.04 0.00 0.09 0.00 0.00 178.44 179.46 1s63 h TYR 105 N -0.00 -0.18 -0.54 0.00 3.20 -0.73 0.22 116.97 118.94 1s63 h TYR 105 Ca 0.03 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1s63 h TYR 105 Cb 0.16 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.43 1s63 h TYR 105 CO -0.02 -0.02 0.17 -1.49 -1.64 0.00 0.00 178.16 175.16 1s63 h TRP 106 N -0.31 0.29 -0.04 -3.82 6.55 -0.65 0.69 115.95 118.65 1s63 h TRP 106 Ca -0.02 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 1s63 h TRP 106 Cb 0.25 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1s63 h TRP 106 CO -0.03 0.06 -0.03 0.82 -1.05 0.00 0.00 178.44 178.21 1s63 h ILE 107 N 0.33 1.36 -0.67 1.49 2.04 -1.27 -2.15 117.51 118.65 1s63 h ILE 107 Ca 0.27 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1s63 h ILE 107 Cb 0.33 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1s63 h ILE 107 CO -0.29 0.31 0.37 -0.07 0.00 0.00 0.00 178.15 178.46 1s63 h LEU 108 N -0.34 0.84 -0.81 1.44 3.38 -0.81 -0.97 115.31 118.04 1s63 h LEU 108 Ca 0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1s63 h LEU 108 Cb 0.51 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1s63 h LEU 108 CO 0.01 0.69 0.07 -0.74 0.09 0.00 0.00 178.44 178.56 1s63 h HIS 109 N 0.92 1.03 -0.38 1.13 2.76 -0.90 0.67 115.15 120.37 1s63 h HIS 109 Ca 0.24 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1s63 h HIS 109 Cb 0.04 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1s63 h HIS 109 CO -0.01 0.89 0.11 0.77 -1.30 0.00 0.00 177.93 178.39 1s63 h SER 110 N 0.91 0.57 -0.54 3.26 0.02 -0.98 0.46 113.55 117.24 1s63 h SER 110 Ca 0.18 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1s63 h SER 110 Cb 0.43 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1s63 h SER 110 CO 0.01 0.63 0.17 -0.07 -1.14 0.00 0.00 176.83 176.44 1s63 h LEU 111 N 0.47 0.82 -0.41 5.07 3.38 -0.91 -1.08 115.31 122.66 1s63 h LEU 111 Ca 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1s63 h LEU 111 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1s63 h LEU 111 CO -0.00 0.78 0.10 -0.08 0.09 0.00 0.00 178.44 179.33 1s63 h GLU 112 N 0.86 0.64 -0.71 1.13 4.81 -0.55 0.30 114.58 121.06 1s63 h GLU 112 Ca 0.19 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1s63 h GLU 112 Cb 0.26 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1s63 h GLU 112 CO -0.01 0.66 0.34 -0.07 -0.73 0.00 0.00 179.01 179.21 1s63 h LEU 113 N 0.51 0.92 0.00 1.64 3.38 -0.36 -1.84 115.31 119.56 1s63 h LEU 113 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s63 h LEU 113 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1s63 h LEU 113 CO 0.00 0.77 0.00 0.18 0.09 0.00 0.00 178.44 179.48 1s63 n LEU 114 N -4.33 0.00 -3.68 1.67 4.77 -0.46 -1.04 117.00 113.93 1s63 n LEU 114 Ca 0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 1s63 n LEU 114 Cb 0.13 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1s63 n LEU 114 CO 0.39 0.00 0.21 -0.67 -1.33 0.00 0.00 177.39 175.99 1s63 n ASP 115 N -0.96 -5.97 -4.41 -1.43 2.03 -0.69 -4.97 116.55 100.14 1s63 n ASP 115 Ca 0.22 -0.60 -0.39 0.00 0.52 0.00 0.00 54.79 54.54 1s63 n ASP 115 Cb 0.10 -4.75 -0.11 0.00 -0.72 0.00 0.00 41.12 35.63 1s63 n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1s63 s GLU 116 N -6.39 3.13 0.67 -0.67 0.41 0.01 -5.03 118.70 110.83 1s63 s GLU 116 Ca 0.60 -0.86 -0.17 0.00 -0.41 0.00 0.00 54.97 54.13 1s63 s GLU 116 Cb -0.28 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 1s63 s GLU 116 CO 0.76 -0.53 1.25 -1.25 -0.49 0.00 0.00 175.26 174.99 1s63 s PRO 117 N 1.59 2.49 -0.33 0.39 0.04 -1.26 -4.45 135.00 133.46 1s63 s PRO 117 Ca 0.04 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1s63 s PRO 117 Cb -0.18 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1s63 s PRO 117 CO 0.06 -1.61 0.35 0.42 0.04 0.00 0.00 177.00 176.27 1s63 s ILE 118 N -1.64 5.18 0.51 0.56 -1.09 -1.26 -5.06 121.20 118.40 1s63 s ILE 118 Ca 0.79 0.08 -0.23 0.00 -2.23 0.00 0.00 60.65 59.06 1s63 s ILE 118 Cb -0.33 -3.80 -0.07 0.00 -1.58 0.00 0.00 42.46 36.68 1s63 s ILE 118 CO 0.40 -0.06 1.24 -2.65 -1.23 0.00 0.00 174.94 172.64 1s63 n PRO 119 N 5.36 1.62 -0.35 2.79 -0.02 -1.26 -4.77 135.00 138.37 1s63 n PRO 119 Ca -0.09 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 1s63 n PRO 119 Cb 0.50 -2.41 0.27 0.00 -0.02 0.00 0.00 33.50 31.84 1s63 n PRO 119 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1s63 h GLN 120 N 1.50 0.83 -0.34 -0.52 -0.00 -1.99 -1.11 115.11 113.49 1s63 h GLN 120 Ca -0.49 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.12 1s63 h GLN 120 Cb 1.31 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 28.59 1s63 h GLN 120 CO 0.57 0.55 0.22 0.82 0.00 0.00 0.00 178.83 180.99 1s63 h ILE 121 N 0.86 1.07 -0.55 2.39 1.08 -1.99 0.00 117.51 120.36 1s63 h ILE 121 Ca 0.53 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.81 1s63 h ILE 121 Cb 0.69 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1s63 h ILE 121 CO -0.33 0.08 0.17 0.58 -0.69 0.00 0.00 178.15 177.96 1s63 h VAL 122 N 0.44 1.24 -0.56 1.67 2.07 -1.75 -1.14 116.25 118.21 1s63 h VAL 122 Ca 0.13 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1s63 h VAL 122 Cb -0.03 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1s63 h VAL 122 CO -0.04 0.30 0.37 0.00 0.02 0.00 0.00 177.57 178.22 1s63 h ALA 123 N 1.03 0.71 -0.47 1.67 0.00 -0.81 0.16 119.26 121.56 1s63 h ALA 123 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1s63 h ALA 123 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1s63 h ALA 123 CO -0.00 0.16 0.08 1.15 0.00 0.00 0.00 179.25 180.64 1s63 h THR 124 N 0.76 1.25 -0.76 0.00 2.02 -0.83 -1.53 112.91 113.82 1s63 h THR 124 Ca 0.21 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1s63 h THR 124 Cb -0.08 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1s63 h THR 124 CO -0.04 0.32 0.39 0.44 0.37 0.00 0.00 175.52 177.00 1s63 h ASP 125 N 0.64 0.96 -0.36 4.18 3.45 -0.77 -0.46 116.42 124.06 1s63 h ASP 125 Ca 0.14 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 1s63 h ASP 125 Cb 0.38 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1s63 h ASP 125 CO 0.01 0.80 0.18 0.58 -1.57 0.00 0.00 179.24 179.24 1s63 h VAL 126 N 1.05 1.16 -0.39 -1.35 2.07 -0.77 -0.65 116.25 117.37 1s63 h VAL 126 Ca 0.26 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1s63 h VAL 126 Cb 0.07 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1s63 h VAL 126 CO -0.04 0.17 0.13 0.00 0.02 0.00 0.00 177.57 177.85 1s63 h GLN 128 N 0.28 0.81 -0.27 0.00 4.20 -0.77 -0.66 115.11 118.71 1s63 h GLN 128 Ca 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1s63 h GLN 128 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1s63 h GLN 128 CO -0.19 0.58 0.13 0.35 -0.67 0.00 0.00 178.83 179.03 1s63 h PHE 129 N 0.81 0.38 -0.01 2.96 3.57 -0.70 -1.96 116.94 121.98 1s63 h PHE 129 Ca 0.21 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1s63 h PHE 129 Cb -0.02 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1s63 h PHE 129 CO -0.02 0.34 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.16 1s63 h LEU 130 N 0.30 0.01 -0.66 0.59 3.38 -0.75 -0.91 115.31 117.27 1s63 h LEU 130 Ca 0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1s63 h LEU 130 Cb 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1s63 h LEU 130 CO -0.01 0.18 0.14 -0.08 0.09 0.00 0.00 178.44 178.76 1s63 h GLU 131 N 0.01 1.07 0.00 1.13 4.81 -0.65 -1.98 114.58 118.97 1s63 h GLU 131 Ca 0.00 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1s63 h GLU 131 Cb 0.31 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1s63 h GLU 131 CO 0.02 0.97 -0.18 -0.07 -0.73 0.00 0.00 179.01 179.02 1s63 h LEU 132 N 0.99 0.00 0.00 1.64 3.38 -0.45 -2.08 115.31 118.80 1s63 h LEU 132 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1s63 h LEU 132 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s63 h LEU 132 CO 0.01 0.18 -0.32 0.00 0.09 0.00 0.00 178.44 178.40 1s63 s GLN 134 N -3.16 4.39 0.28 0.00 0.74 -0.78 -0.89 119.66 120.24 1s63 s GLN 134 Ca 0.08 1.89 -0.20 0.00 0.05 0.00 0.00 55.36 57.18 1s63 s GLN 134 Cb 0.11 -3.30 -0.09 0.00 1.10 0.00 0.00 33.01 30.84 1s63 s GLN 134 CO 0.67 -0.31 0.78 0.45 -0.55 0.00 0.00 175.29 176.33 1s63 s SER 135 N 0.99 7.03 0.59 6.67 0.15 -0.09 -4.93 113.70 124.12 1s63 s SER 135 Ca 0.60 1.48 0.38 0.00 0.70 0.00 0.00 55.95 59.12 1s63 s SER 135 Cb -0.32 -2.45 1.84 0.00 -1.71 0.00 0.00 66.02 63.38 1s63 s SER 135 CO 0.30 -0.07 2.15 1.55 1.20 0.00 0.00 173.24 178.37 1s63 h PRO 136 N 2.98 0.00 -0.00 5.44 0.13 -1.95 -0.80 132.00 137.81 1s63 h PRO 136 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s63 h PRO 136 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s63 h PRO 136 CO 0.65 0.00 -0.10 -0.85 -0.23 0.00 0.00 178.00 177.47 1s63 n GLU 137 N -3.05 0.82 0.00 0.86 0.28 -1.26 -4.99 120.64 113.30 1s63 n GLU 137 Ca -0.01 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 56.69 1s63 n GLU 137 Cb 0.19 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1s63 n GLU 137 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s63 n GLY 138 N 1.25 2.49 0.00 -1.84 0.00 -0.30 -4.20 105.19 102.58 1s63 n GLY 138 Ca 0.16 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1s63 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s63 n GLY 139 N 1.26 -1.30 3.28 -0.02 0.00 -1.26 -4.50 105.19 102.65 1s63 n GLY 139 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 1s63 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s63 s PHE 140 N -1.40 1.96 0.55 1.61 0.40 -1.26 -0.91 117.98 118.93 1s63 s PHE 140 Ca 0.00 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1s63 s PHE 140 Cb 0.00 -1.16 0.08 0.00 0.51 0.00 0.00 43.02 42.44 1s63 s PHE 140 CO 0.00 0.11 0.76 0.20 0.70 0.00 0.00 175.22 176.99 1s63 s GLY 141 N -1.24 1.76 0.00 4.36 0.00 -0.07 -1.24 107.32 110.89 1s63 s GLY 141 Ca 0.09 -2.08 0.16 0.00 0.00 0.00 0.00 44.72 42.89 1s63 s GLY 141 CO 0.02 -1.66 1.51 0.61 0.00 0.00 0.00 173.10 173.58 1s63 n GLY 142 N -2.19 -0.95 3.72 0.20 0.00 -1.26 -4.69 105.19 100.01 1s63 n GLY 142 Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1s63 n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s63 s GLY 143 N -2.79 -0.36 0.12 -0.02 0.00 -1.26 -0.96 107.32 102.05 1s63 s GLY 143 Ca 0.12 0.57 -0.33 0.00 0.00 0.00 0.00 44.72 45.08 1s63 s GLY 143 CO 0.28 1.84 1.74 -1.05 0.00 0.00 0.00 173.10 175.91 1s63 n PRO 144 N -0.62 2.50 -0.25 2.90 -0.02 -1.26 -1.98 135.00 136.27 1s63 n PRO 144 Ca -0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1s63 n PRO 144 Cb 0.62 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1s63 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s63 n GLY 145 N 3.96 1.47 3.84 -1.23 0.00 -1.26 -5.03 105.19 106.96 1s63 n GLY 145 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1s63 n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s63 s GLN 146 N -0.37 3.99 0.72 1.61 -0.21 -0.84 -5.03 119.66 119.53 1s63 s GLN 146 Ca 0.00 0.86 -0.15 0.00 0.02 0.00 0.00 55.36 56.09 1s63 s GLN 146 Cb 0.00 -2.24 0.04 0.00 1.00 0.00 0.00 33.01 31.81 1s63 s GLN 146 CO 0.00 -0.11 1.21 0.71 -2.12 0.00 0.00 175.29 174.98 1s63 s TYR 147 N -2.39 2.07 0.67 0.91 4.12 -1.26 -4.39 117.35 117.08 1s63 s TYR 147 Ca 0.57 1.59 -0.13 0.00 0.02 0.00 0.00 57.07 59.12 1s63 s TYR 147 Cb -0.10 -3.47 0.00 0.00 -1.52 0.00 0.00 41.96 36.87 1s63 s TYR 147 CO 0.25 -2.59 1.08 -1.25 0.02 0.00 0.00 175.55 173.06 1s63 s PRO 148 N -3.89 2.85 -0.15 -1.71 0.04 -1.26 -3.99 135.00 126.88 1s63 s PRO 148 Ca 0.74 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 1s63 s PRO 148 Cb -0.29 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1s63 s PRO 148 CO 0.45 -1.19 0.44 -1.58 0.04 0.00 0.00 177.00 175.16 1s63 s HIS 149 N -2.61 -0.47 0.46 0.56 2.46 -0.37 -4.63 115.29 110.68 1s63 s HIS 149 Ca 0.63 1.13 0.12 0.00 0.47 0.00 0.00 55.06 57.41 1s63 s HIS 149 Cb -0.17 0.17 1.05 0.00 -0.13 0.00 0.00 32.58 33.50 1s63 s HIS 149 CO 0.46 -0.25 2.07 -0.07 -2.47 0.00 0.00 174.74 174.48 1s63 h LEU 150 N 5.29 0.27 0.76 8.88 3.38 -0.85 -1.82 115.31 131.22 1s63 h LEU 150 Ca -0.27 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1s63 h LEU 150 Cb 1.18 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1s63 h LEU 150 CO 0.24 0.19 -0.36 0.00 0.09 0.00 0.00 178.44 178.60 1s63 h ALA 151 N 1.82 -1.02 0.00 1.53 0.00 -1.92 -0.19 119.26 119.48 1s63 h ALA 151 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1s63 h ALA 151 Cb 0.12 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1s63 h ALA 151 CO -0.03 -0.94 -0.06 -1.00 0.00 0.00 0.00 179.25 177.22 1s63 h PRO 152 N -1.27 0.00 -0.14 0.00 0.13 -1.81 -1.73 132.00 127.18 1s63 h PRO 152 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1s63 h PRO 152 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1s63 h PRO 152 CO 0.17 0.06 0.01 1.15 -0.23 0.00 0.00 178.00 179.16 1s63 h THR 153 N 0.00 1.24 -0.35 1.56 2.02 -1.17 0.21 112.91 116.43 1s63 h THR 153 Ca -0.00 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1s63 h THR 153 Cb 0.29 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1s63 h THR 153 CO 0.01 0.23 0.12 0.22 0.37 0.00 0.00 175.52 176.47 1s63 h TYR 154 N -0.01 0.21 -0.29 3.16 3.20 -0.47 -1.49 116.97 121.29 1s63 h TYR 154 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1s63 h TYR 154 Cb 0.35 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1s63 h TYR 154 CO 0.03 0.09 0.14 0.00 -1.64 0.00 0.00 178.16 176.78 1s63 h ALA 155 N 1.22 0.37 -0.56 1.82 0.00 -1.15 -1.55 119.26 119.41 1s63 h ALA 155 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s63 h ALA 155 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s63 h ALA 155 CO -0.16 -0.07 0.32 0.00 0.00 0.00 0.00 179.25 179.33 1s63 h ALA 156 N 1.00 0.72 -0.33 0.00 0.00 -0.41 -0.15 119.26 120.09 1s63 h ALA 156 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1s63 h ALA 156 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1s63 h ALA 156 CO -0.01 0.22 0.10 0.28 0.00 0.00 0.00 179.25 179.83 1s63 h VAL 157 N 0.75 1.21 -0.63 0.00 2.07 -1.17 -0.76 116.25 117.73 1s63 h VAL 157 Ca 0.20 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1s63 h VAL 157 Cb 0.02 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1s63 h VAL 157 CO -0.03 0.24 0.40 0.78 0.02 0.00 0.00 177.57 178.98 1s63 h ASN 158 N 0.38 0.74 -0.26 0.57 4.21 -1.04 -0.70 115.58 119.49 1s63 h ASN 158 Ca 0.11 -0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.59 1s63 h ASN 158 Cb 0.27 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1s63 h ASN 158 CO -0.00 0.55 0.15 0.00 -1.29 0.00 0.00 177.43 176.84 1s63 h ALA 159 N 1.22 0.32 -0.75 -0.83 0.00 -0.78 0.62 119.26 119.06 1s63 h ALA 159 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s63 h ALA 159 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1s63 h ALA 159 CO -0.05 -0.23 0.43 -0.07 0.00 0.00 0.00 179.25 179.33 1s63 h LEU 160 N 0.31 0.91 -0.68 0.00 3.38 -0.87 -1.48 115.31 116.88 1s63 h LEU 160 Ca 0.10 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1s63 h LEU 160 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1s63 h LEU 160 CO -0.04 0.71 -0.50 0.00 0.09 0.00 0.00 178.44 178.70 1s63 h ILE 162 N 0.32 1.22 -0.32 0.00 2.04 -0.18 -2.21 117.51 118.39 1s63 h ILE 162 Ca 0.01 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1s63 h ILE 162 Cb 0.99 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1s63 h ILE 162 CO 0.09 0.26 0.16 0.40 0.00 0.00 0.00 178.15 179.06 1s63 h ILE 163 N 0.77 1.14 -0.66 -0.67 2.04 -1.07 -3.47 117.51 115.60 1s63 h ILE 163 Ca 0.19 -0.39 -0.28 0.00 1.00 0.00 0.00 64.86 65.38 1s63 h ILE 163 Cb 0.18 0.82 -0.11 0.00 -0.74 0.00 0.00 36.82 36.97 1s63 h ILE 163 CO -0.02 0.15 -0.26 0.61 0.00 0.00 0.00 178.15 178.63 1s63 n GLY 164 N -0.92 1.41 3.95 5.37 0.00 -0.10 -5.01 105.19 109.89 1s63 n GLY 164 Ca -0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1s63 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s63 s THR 165 N -2.41 4.49 0.42 2.61 -4.23 -1.26 -4.94 115.64 110.32 1s63 s THR 165 Ca 0.00 -0.53 0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1s63 s THR 165 Cb 0.00 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.38 1s63 s THR 165 CO 0.00 -0.42 1.97 -0.33 -0.54 0.00 0.00 174.62 175.30 1s63 h GLU 166 N 0.60 0.15 -0.33 3.99 5.08 -1.98 -0.72 114.58 121.38 1s63 h GLU 166 Ca -0.48 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1s63 h GLU 166 Cb 1.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1s63 h GLU 166 CO 0.59 0.28 0.20 1.49 -1.00 0.00 0.00 179.01 180.57 1s63 h GLU 167 N 0.15 0.40 -0.19 2.33 4.81 -1.99 -0.27 114.58 119.82 1s63 h GLU 167 Ca 0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1s63 h GLU 167 Cb 0.31 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1s63 h GLU 167 CO 0.02 0.26 0.03 0.00 -0.73 0.00 0.00 179.01 178.59 1s63 h ALA 168 N 1.14 0.25 -0.53 2.92 0.00 -1.60 -3.07 119.26 118.37 1s63 h ALA 168 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s63 h ALA 168 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1s63 h ALA 168 CO -0.05 -0.07 0.34 1.88 0.00 0.00 0.00 179.25 181.35 1s63 h TYR 169 N 0.10 0.64 0.00 0.00 0.99 -0.98 -2.79 116.97 114.93 1s63 h TYR 169 Ca 0.06 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1s63 h TYR 169 Cb 0.32 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 37.84 1s63 h TYR 169 CO 0.02 0.38 0.00 -0.25 -0.00 0.00 0.00 178.16 178.31 1s63 n ASP 170 N -4.75 0.67 0.05 3.88 8.00 -0.13 -2.66 116.55 121.62 1s63 n ASP 170 Ca 0.04 0.69 -0.00 0.00 0.71 0.00 0.00 54.79 56.23 1s63 n ASP 170 Cb 0.05 -0.82 0.30 0.00 -0.02 0.00 0.00 41.12 40.62 1s63 n ASP 170 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1s63 h ILE 171 N 0.00 1.22 -2.69 0.53 2.04 -1.40 -3.43 117.51 113.78 1s63 h ILE 171 Ca 0.00 -0.95 -0.54 0.00 1.00 0.00 0.00 64.86 64.37 1s63 h ILE 171 Cb 0.29 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1s63 h ILE 171 CO 0.00 0.31 1.01 -0.63 0.00 0.00 0.00 178.15 178.83 1s63 s ILE 172 N -4.71 3.36 -0.76 -0.67 1.01 -1.09 -4.92 121.20 113.42 1s63 s ILE 172 Ca -0.06 0.66 -0.21 0.00 0.00 0.00 0.00 60.65 61.04 1s63 s ILE 172 Cb 0.15 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 39.28 1s63 s ILE 172 CO 0.76 -0.02 1.03 0.21 0.00 0.00 0.00 174.94 176.92 1s63 s ASN 173 N 2.71 6.33 0.21 3.58 3.84 -1.26 -4.89 114.94 125.47 1s63 s ASN 173 Ca 0.72 -1.36 -0.07 0.00 0.21 0.00 0.00 52.86 52.37 1s63 s ASN 173 Cb -0.36 -2.42 0.16 0.00 -0.55 0.00 0.00 41.25 38.09 1s63 s ASN 173 CO 0.30 -1.32 1.70 0.03 -2.79 0.00 0.00 177.10 175.02 1s63 h ARG 174 N 9.34 1.01 -0.20 0.43 3.08 -1.95 -0.56 114.38 125.53 1s63 h ARG 174 Ca -0.13 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 1s63 h ARG 174 Cb 1.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1s63 h ARG 174 CO 1.17 0.97 0.10 0.93 -1.07 0.00 0.00 179.97 182.06 1s63 h GLU 175 N 0.94 0.28 -0.07 0.04 3.07 -1.96 -1.23 114.58 115.64 1s63 h GLU 175 Ca 0.18 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.84 1s63 h GLU 175 Cb 0.48 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1s63 h GLU 175 CO 0.02 0.29 -0.65 0.87 -1.40 0.00 0.00 179.01 178.15 1s63 h LYS 176 N 0.19 0.28 -0.36 2.33 1.79 -1.88 -2.61 116.57 116.31 1s63 h LYS 176 Ca 0.07 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1s63 h LYS 176 Cb 0.10 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1s63 h LYS 176 CO -0.01 0.83 0.23 1.25 -1.08 0.00 0.00 179.45 180.67 1s63 h LEU 177 N 0.20 0.42 -0.61 2.94 5.85 -0.81 0.13 115.31 123.43 1s63 h LEU 177 Ca -0.01 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1s63 h LEU 177 Cb 1.18 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1s63 h LEU 177 CO 0.10 0.33 0.25 0.25 -0.34 0.00 0.00 178.44 179.04 1s63 h LEU 178 N 0.48 0.83 -0.79 2.25 5.85 -1.15 -0.67 115.31 122.10 1s63 h LEU 178 Ca 0.13 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1s63 h LEU 178 Cb -0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1s63 h LEU 178 CO -0.03 0.76 0.45 1.56 -0.34 0.00 0.00 178.44 180.85 1s63 h GLN 179 N 0.84 1.10 -0.34 1.25 4.20 -1.14 -1.57 115.11 119.45 1s63 h GLN 179 Ca 0.20 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1s63 h GLN 179 Cb 0.18 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1s63 h GLN 179 CO -0.02 0.80 0.22 -0.92 -0.67 0.00 0.00 178.83 178.24 1s63 h TYR 180 N 1.10 0.43 -0.70 2.96 3.20 -0.22 -0.49 116.97 123.25 1s63 h TYR 180 Ca 0.28 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.20 1s63 h TYR 180 Cb 0.01 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1s63 h TYR 180 CO -0.00 0.27 0.43 -0.07 -1.64 0.00 0.00 178.16 177.15 1s63 h LEU 181 N 0.46 0.70 -1.17 2.82 3.38 -0.65 -1.19 115.31 119.66 1s63 h LEU 181 Ca 0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1s63 h LEU 181 Cb -0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1s63 h LEU 181 CO -0.03 0.48 0.56 1.88 0.09 0.00 0.00 178.44 181.42 1s63 h TYR 182 N 0.83 1.06 0.00 1.13 -1.99 -0.79 -1.50 116.97 115.71 1s63 h TYR 182 Ca 0.28 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1s63 h TYR 182 Cb 0.04 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 38.42 1s63 h TYR 182 CO -0.05 0.65 0.00 -1.13 -0.00 0.00 0.00 178.16 177.63 1s63 n SER 183 N -4.42 0.29 -0.00 3.88 3.41 -0.24 -2.40 113.62 114.14 1s63 n SER 183 Ca 0.10 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.36 1s63 n SER 183 Cb 0.05 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 1s63 n SER 183 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s63 n LEU 184 N -1.84 0.37 -4.69 1.04 4.77 -0.61 -4.94 117.00 111.10 1s63 n LEU 184 Ca 0.02 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 1s63 n LEU 184 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1s63 n LEU 184 CO 0.13 0.09 1.16 -0.75 -1.33 0.00 0.00 177.39 176.69 1s63 s LYS 185 N -2.39 4.27 0.14 3.23 2.47 -0.94 -1.27 119.74 125.26 1s63 s LYS 185 Ca 0.01 2.08 -0.02 0.00 -1.56 0.00 0.00 55.97 56.49 1s63 s LYS 185 Cb 0.09 -3.52 -0.05 0.00 -1.46 0.00 0.00 37.83 32.89 1s63 s LYS 185 CO 0.50 -0.59 0.33 -0.65 0.16 0.00 0.00 175.35 175.10 1s63 s GLN 186 N 2.23 3.53 0.57 4.03 -1.52 0.39 -4.98 119.66 123.91 1s63 s GLN 186 Ca 0.66 -0.30 0.31 0.00 -1.95 0.00 0.00 55.36 54.08 1s63 s GLN 186 Cb -0.34 -2.90 1.75 0.00 -0.22 0.00 0.00 33.01 31.30 1s63 s GLN 186 CO 0.29 0.48 2.19 -1.00 -0.25 0.00 0.00 175.29 177.00 1s63 h PRO 187 N 2.54 0.00 -0.02 2.91 0.13 -1.96 -1.77 132.00 133.84 1s63 h PRO 187 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1s63 h PRO 187 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s63 h PRO 187 CO 0.71 0.05 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 1s63 n ASP 188 N -3.64 0.19 0.00 1.44 3.85 -1.26 -4.88 116.55 112.26 1s63 n ASP 188 Ca -0.02 -1.42 0.00 0.00 -0.71 0.00 0.00 54.79 52.64 1s63 n ASP 188 Cb 0.15 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1s63 n ASP 188 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s63 n GLY 189 N 0.85 1.48 3.93 6.12 0.00 -0.66 -4.48 105.19 112.42 1s63 n GLY 189 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1s63 n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s63 s SER 190 N -1.59 4.22 0.03 1.61 1.04 -1.26 -3.76 113.70 113.99 1s63 s SER 190 Ca 0.00 0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.86 1s63 s SER 190 Cb 0.00 -0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.30 1s63 s SER 190 CO 0.00 -2.02 -0.13 -0.36 0.98 0.00 0.00 173.24 171.71 1s63 s PHE 191 N -3.49 1.18 0.53 5.02 0.40 -1.26 -0.46 117.98 119.89 1s63 s PHE 191 Ca 0.65 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 56.49 1s63 s PHE 191 Cb -0.08 -0.71 -0.07 0.00 0.51 0.00 0.00 43.02 42.67 1s63 s PHE 191 CO 0.48 0.02 1.01 -0.51 0.70 0.00 0.00 175.22 176.92 1s63 s LEU 192 N -0.96 3.63 0.31 -0.37 1.43 -0.39 -4.32 118.68 118.01 1s63 s LEU 192 Ca 0.02 1.68 0.14 0.00 -1.03 0.00 0.00 54.13 54.94 1s63 s LEU 192 Cb -0.07 -4.52 0.45 0.00 0.03 0.00 0.00 46.19 42.08 1s63 s LEU 192 CO 0.01 -0.75 1.64 0.24 0.23 0.00 0.00 176.35 177.72 1s63 h MET 193 N 0.90 0.00 -2.48 1.70 2.86 -1.14 -3.46 114.93 113.31 1s63 h MET 193 Ca -0.47 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.32 1s63 h MET 193 Cb 1.20 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.78 1s63 h MET 193 CO 0.60 0.52 0.43 -3.38 1.06 0.00 0.00 176.91 176.14 1s63 s HIS 194 N -3.53 -0.17 0.11 -0.22 0.00 -1.26 -0.18 115.29 110.04 1s63 s HIS 194 Ca -0.00 -0.15 -0.32 0.00 -3.00 0.00 0.00 55.06 51.58 1s63 s HIS 194 Cb 0.12 0.64 -0.12 0.00 -4.00 0.00 0.00 32.58 29.22 1s63 s HIS 194 CO 0.73 -0.89 1.76 0.28 -1.00 0.00 0.00 174.74 175.63 1s63 n VAL 195 N -0.45 0.25 -1.43 -5.38 0.31 -1.26 -0.04 118.33 110.33 1s63 n VAL 195 Ca -0.06 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1s63 n VAL 195 Cb 0.61 -1.92 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 1s63 n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s63 n GLY 196 N 4.01 1.19 2.53 2.92 0.00 -1.26 -4.99 105.19 109.59 1s63 n GLY 196 Ca 0.18 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1s63 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s63 n GLY 197 N -1.44 2.31 3.87 -0.02 0.00 0.95 -5.11 105.19 105.74 1s63 n GLY 197 Ca -0.12 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.37 1s63 n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s63 s GLU 198 N -3.63 3.79 -0.04 1.61 1.03 -1.26 -4.63 118.70 115.58 1s63 s GLU 198 Ca 0.32 0.64 0.06 0.00 0.03 0.00 0.00 54.97 56.02 1s63 s GLU 198 Cb -0.03 -2.27 -0.02 0.00 -0.80 0.00 0.00 34.13 31.02 1s63 s GLU 198 CO 0.20 -0.19 -0.21 0.14 -1.33 0.00 0.00 175.26 173.87 1s63 s VAL 199 N -2.58 2.44 0.24 1.83 -7.23 -1.26 -0.65 120.40 113.18 1s63 s VAL 199 Ca 0.54 -0.95 -0.22 0.00 -1.81 0.00 0.00 61.98 59.53 1s63 s VAL 199 Cb -0.10 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 34.97 1s63 s VAL 199 CO 0.35 0.58 0.78 1.51 -0.31 0.00 0.00 175.10 178.01 1s63 s ASP 200 N -0.55 -0.25 0.61 4.85 1.47 -1.26 -4.88 116.67 116.66 1s63 s ASP 200 Ca 0.08 -0.52 0.31 0.00 1.18 0.00 0.00 52.55 53.59 1s63 s ASP 200 Cb -0.11 0.65 1.69 0.00 -0.34 0.00 0.00 42.92 44.81 1s63 s ASP 200 CO 0.00 -1.20 2.04 0.58 0.68 0.00 0.00 175.17 177.27 1s63 h VAL 201 N 2.00 0.29 -0.98 2.11 2.07 -1.04 -2.10 116.25 118.59 1s63 h VAL 201 Ca -0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1s63 h VAL 201 Cb 1.25 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1s63 h VAL 201 CO 0.24 0.00 0.63 0.03 0.02 0.00 0.00 177.57 178.49 1s63 h ARG 202 N 0.00 1.06 -0.83 1.57 3.08 -1.91 -2.57 114.38 114.79 1s63 h ARG 202 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1s63 h ARG 202 Cb 0.64 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1s63 h ARG 202 CO -0.00 0.70 0.50 0.66 -1.07 0.00 0.00 179.97 180.76 1s63 h SER 203 N 1.10 0.99 -0.71 7.04 4.64 -1.67 -0.15 113.55 124.79 1s63 h SER 203 Ca 0.44 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1s63 h SER 203 Cb 0.26 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1s63 h SER 203 CO -0.20 0.76 0.32 0.00 -0.87 0.00 0.00 176.83 176.85 1s63 h ALA 204 N 1.27 0.92 -0.21 5.18 0.00 -1.62 0.11 119.26 124.91 1s63 h ALA 204 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1s63 h ALA 204 Cb -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1s63 h ALA 204 CO -0.06 0.50 -0.15 -0.92 0.00 0.00 0.00 179.25 178.63 1s63 h TYR 205 N 1.00 0.56 -0.48 0.00 3.20 -1.22 -0.39 116.97 119.65 1s63 h TYR 205 Ca 0.24 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1s63 h TYR 205 Cb 0.15 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1s63 h TYR 205 CO 0.01 0.79 0.25 0.00 -1.64 0.00 0.00 178.16 177.57 1s63 h ALA 207 N 1.24 -0.06 -0.84 0.00 0.00 -0.92 -2.19 119.26 116.50 1s63 h ALA 207 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1s63 h ALA 207 Cb 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1s63 h ALA 207 CO -0.13 -0.45 0.43 0.00 0.00 0.00 0.00 179.25 179.10 1s63 h ALA 208 N 0.73 1.17 0.64 0.00 0.00 -0.86 -0.62 119.26 120.33 1s63 h ALA 208 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1s63 h ALA 208 Cb 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1s63 h ALA 208 CO 0.01 0.64 -0.31 1.03 0.00 0.00 0.00 179.25 180.63 1s63 h SER 209 N 1.18 -0.72 -0.52 0.00 0.87 -0.71 -1.64 113.55 112.01 1s63 h SER 209 Ca 0.29 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1s63 h SER 209 Cb 0.08 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1s63 h SER 209 CO -0.04 -0.43 0.09 -0.37 -0.53 0.00 0.00 176.83 175.54 1s63 h VAL 210 N -0.99 1.24 -0.47 2.23 -1.51 -1.34 -1.96 116.25 113.45 1s63 h VAL 210 Ca -0.09 -0.94 -0.06 0.00 -1.23 0.00 0.00 66.70 64.38 1s63 h VAL 210 Cb 0.69 0.72 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 1s63 h VAL 210 CO 0.14 0.35 0.05 0.00 -1.23 0.00 0.00 177.57 176.88 1s63 h ALA 211 N 1.23 0.63 -0.15 5.19 0.00 -1.09 -1.52 119.26 123.56 1s63 h ALA 211 Ca 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1s63 h ALA 211 Cb 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s63 h ALA 211 CO 0.01 0.39 -0.19 0.66 0.00 0.00 0.00 179.25 180.11 1s63 h SER 212 N 0.66 0.42 -0.88 0.00 4.64 -1.21 -0.86 113.55 116.31 1s63 h SER 212 Ca 0.14 -0.51 0.03 0.00 -0.47 0.00 0.00 61.79 60.98 1s63 h SER 212 Cb 0.43 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1s63 h SER 212 CO 0.01 0.84 0.57 -0.07 -0.87 0.00 0.00 176.83 177.32 1s63 h LEU 213 N 0.00 0.95 -1.43 5.97 3.38 -1.32 -2.58 115.31 120.28 1s63 h LEU 213 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s63 h LEU 213 Cb 0.74 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1s63 h LEU 213 CO 0.04 0.65 0.00 0.35 0.09 0.00 0.00 178.44 179.58 1s63 n THR 214 N -4.53 0.35 -3.56 0.22 -2.24 -0.58 -4.18 114.28 99.76 1s63 n THR 214 Ca 0.11 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 1s63 n THR 214 Cb 0.09 0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 1s63 n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1s63 n ASN 215 N 0.63 -2.86 -0.14 3.42 5.15 -0.69 -4.86 115.26 115.92 1s63 n ASN 215 Ca 0.16 -0.79 0.09 0.00 -0.60 0.00 0.00 54.58 53.44 1s63 n ASN 215 Cb 0.38 -4.39 0.12 0.00 -0.53 0.00 0.00 39.78 35.36 1s63 n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1s63 n ILE 216 N -4.04 1.62 -2.58 -1.44 -5.35 -0.42 -4.24 119.36 102.90 1s63 n ILE 216 Ca -0.23 -1.95 -0.42 0.00 -0.27 0.00 0.00 62.75 59.87 1s63 n ILE 216 Cb 0.65 -0.13 -0.03 0.00 -1.74 0.00 0.00 39.64 38.40 1s63 n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1s63 s ILE 217 N -2.47 4.54 0.29 7.28 1.01 -1.25 -4.90 121.20 125.70 1s63 s ILE 217 Ca 0.27 1.83 0.08 0.00 0.00 0.00 0.00 60.65 62.83 1s63 s ILE 217 Cb 0.24 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1s63 s ILE 217 CO 0.02 0.01 0.20 0.42 0.00 0.00 0.00 174.94 175.59 1s63 s THR 218 N 2.05 3.94 0.37 2.92 -4.23 -1.26 -5.02 115.64 114.41 1s63 s THR 218 Ca 0.52 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1s63 s THR 218 Cb -0.21 -3.24 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1s63 s THR 218 CO 0.20 -0.29 1.99 -0.65 -0.54 0.00 0.00 174.62 175.33 1s63 h PRO 219 N 1.47 0.73 0.00 3.99 0.11 -2.03 -2.96 132.00 133.31 1s63 h PRO 219 Ca -0.46 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1s63 h PRO 219 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1s63 h PRO 219 CO 0.60 0.48 -1.01 0.38 -0.21 0.00 0.00 178.00 178.24 1s63 h ASP 220 N 0.75 0.00 -0.84 -2.05 2.03 -2.00 -3.39 116.42 110.92 1s63 h ASP 220 Ca 0.27 0.00 0.19 0.00 -0.73 0.00 0.00 57.03 56.76 1s63 h ASP 220 Cb 0.12 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.47 1s63 h ASP 220 CO -0.08 0.49 -0.09 0.25 -1.03 0.00 0.00 179.24 178.78 1s63 h LEU 221 N 0.00 -0.58 -3.49 0.15 5.85 -1.93 -1.19 115.31 114.12 1s63 h LEU 221 Ca -0.09 0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1s63 h LEU 221 Cb 1.45 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 1s63 h LEU 221 CO 0.05 -0.26 0.05 0.49 -0.34 0.00 0.00 178.44 178.43 1s63 n PHE 222 N -5.47 1.73 -1.77 1.25 3.01 -1.26 -4.95 117.46 110.00 1s63 n PHE 222 Ca 0.15 -0.92 -0.42 0.00 1.01 0.00 0.00 57.45 57.27 1s63 n PHE 222 Cb 0.51 -0.48 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1s63 n PHE 222 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1s63 s GLU 223 N -2.87 4.15 0.00 -1.08 2.12 -0.45 -1.58 118.70 119.00 1s63 s GLU 223 Ca 0.50 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.34 1s63 s GLU 223 Cb 0.40 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1s63 s GLU 223 CO 0.12 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 1s63 n GLY 224 N 4.23 2.50 0.14 -1.50 0.00 -1.26 -4.37 105.19 104.94 1s63 n GLY 224 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1s63 n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s63 h THR 225 N 0.00 1.15 -0.79 2.61 2.02 -1.38 -1.80 112.91 114.72 1s63 h THR 225 Ca 0.00 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 66.81 1s63 h THR 225 Cb 0.00 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1s63 h THR 225 CO 0.00 0.16 0.46 0.00 0.37 0.00 0.00 175.52 176.50 1s63 h ALA 226 N 0.98 1.10 -0.45 6.16 0.00 -1.89 -0.37 119.26 124.78 1s63 h ALA 226 Ca 0.09 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1s63 h ALA 226 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s63 h ALA 226 CO -0.01 0.12 -0.22 0.93 0.00 0.00 0.00 179.25 180.06 1s63 h GLU 227 N 0.80 0.93 -0.54 0.00 3.07 -1.90 -1.13 114.58 115.81 1s63 h GLU 227 Ca 0.37 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 1s63 h GLU 227 Cb 0.28 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1s63 h GLU 227 CO -0.22 1.06 0.12 2.35 -1.40 0.00 0.00 179.01 180.92 1s63 h TRP 228 N 0.80 0.92 -0.54 4.33 7.01 -0.72 -1.81 115.95 125.95 1s63 h TRP 228 Ca 0.10 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1s63 h TRP 228 Cb 0.78 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1s63 h TRP 228 CO 0.05 0.81 0.26 0.82 -2.79 0.00 0.00 178.44 177.59 1s63 h ILE 229 N 0.77 1.20 -0.65 2.65 2.04 -0.87 -2.19 117.51 120.46 1s63 h ILE 229 Ca 0.17 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1s63 h ILE 229 Cb 0.36 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1s63 h ILE 229 CO 0.00 0.22 0.43 0.00 0.00 0.00 0.00 178.15 178.81 1s63 h ALA 230 N 1.10 1.61 0.00 1.87 0.00 -0.96 0.69 119.26 123.56 1s63 h ALA 230 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1s63 h ALA 230 Cb 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s63 h ALA 230 CO -0.02 0.34 -0.02 0.00 0.00 0.00 0.00 179.25 179.54 1s63 h ARG 231 N 0.81 0.00 0.00 0.00 3.08 -0.69 -1.42 114.38 116.16 1s63 h ARG 231 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1s63 h ARG 231 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1s63 h ARG 231 CO -0.07 0.02 -0.08 0.00 -1.07 0.00 0.00 179.97 178.77 1s63 s GLN 233 N -3.16 4.39 0.04 0.00 0.74 -0.54 -0.73 119.66 120.40 1s63 s GLN 233 Ca 0.08 1.95 0.00 0.00 0.05 0.00 0.00 55.36 57.44 1s63 s GLN 233 Cb 0.09 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1s63 s GLN 233 CO 0.64 -0.31 0.02 0.27 -0.55 0.00 0.00 175.29 175.37 1s63 n ASN 234 N 3.59 1.39 0.21 6.67 6.94 -0.56 -4.92 115.26 128.58 1s63 n ASN 234 Ca 0.09 -1.16 0.18 0.00 -0.02 0.00 0.00 54.58 53.66 1s63 n ASN 234 Cb 0.44 0.01 0.84 0.00 -2.36 0.00 0.00 39.78 38.71 1s63 n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1s63 h TRP 235 N 0.64 0.00 0.00 -2.53 5.08 -1.94 -1.52 115.95 115.68 1s63 h TRP 235 Ca -0.03 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.84 1s63 h TRP 235 Cb 0.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.25 1s63 h TRP 235 CO 0.00 0.00 -0.47 0.93 -1.28 0.00 0.00 178.44 177.62 1s63 h GLU 236 N 0.00 0.00 0.00 0.12 5.08 -1.96 -3.47 114.58 114.35 1s63 h GLU 236 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1s63 h GLU 236 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s63 h GLU 236 CO -0.00 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 1s63 n GLY 237 N 0.62 1.84 0.76 -3.84 0.00 -0.57 -4.54 105.19 99.45 1s63 n GLY 237 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1s63 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s63 n GLY 238 N -0.12 -0.93 3.25 -0.02 0.00 -1.26 -3.42 105.19 102.69 1s63 n GLY 238 Ca 0.00 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 1s63 n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s63 s ILE 239 N -1.41 1.98 0.56 -0.61 1.01 -1.26 -1.50 121.20 119.97 1s63 s ILE 239 Ca 0.15 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1s63 s ILE 239 Cb -0.00 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.84 1s63 s ILE 239 CO 0.10 0.55 0.77 -0.83 0.00 0.00 0.00 174.94 175.54 1s63 s GLY 240 N -0.13 1.83 0.36 6.18 0.00 0.09 -1.56 107.32 114.09 1s63 s GLY 240 Ca -0.04 -1.65 0.06 0.00 0.00 0.00 0.00 44.72 43.09 1s63 s GLY 240 CO 0.04 -1.30 1.93 -1.33 0.00 0.00 0.00 173.10 172.43 1s63 h GLY 241 N 0.11 0.51 -2.84 0.20 0.00 -1.84 -3.43 103.07 95.78 1s63 h GLY 241 Ca -0.38 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1s63 h GLY 241 CO 0.46 0.26 -0.33 -1.34 0.00 0.00 0.00 176.54 175.59 1s63 s VAL 242 N -5.06 0.08 0.19 4.60 -7.23 -1.26 -0.46 120.40 111.25 1s63 s VAL 242 Ca -0.07 -1.32 -0.33 0.00 -1.81 0.00 0.00 61.98 58.45 1s63 s VAL 242 Cb 0.16 -1.71 -0.14 0.00 0.56 0.00 0.00 36.38 35.25 1s63 s VAL 242 CO 0.75 -0.38 1.44 -2.65 -0.31 0.00 0.00 175.10 173.95 1s63 n PRO 243 N -0.18 1.90 0.00 4.82 -0.02 -1.26 -1.85 135.00 138.41 1s63 n PRO 243 Ca -0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1s63 n PRO 243 Cb 0.63 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1s63 n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s63 n GLY 244 N 2.64 3.35 3.86 -1.23 0.00 -1.26 -5.03 105.19 107.52 1s63 n GLY 244 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1s63 n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s63 s MET 245 N -0.71 3.75 0.33 1.61 -1.94 -0.77 -5.01 119.30 116.56 1s63 s MET 245 Ca 0.00 0.72 -0.29 0.00 -1.71 0.00 0.00 55.69 54.41 1s63 s MET 245 Cb 0.00 -2.18 -0.12 0.00 2.01 0.00 0.00 34.83 34.54 1s63 s MET 245 CO 0.00 -0.33 1.39 -1.91 -0.01 0.00 0.00 175.02 174.16 1s63 n GLU 246 N -2.03 2.32 -2.00 2.03 2.13 -1.26 -4.05 120.64 117.79 1s63 n GLU 246 Ca 0.05 0.82 -0.42 0.00 0.66 0.00 0.00 57.16 58.27 1s63 n GLU 246 Cb 0.54 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 1s63 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s63 s ALA 247 N -0.82 3.67 0.00 4.31 0.00 -1.26 -4.01 121.76 123.65 1s63 s ALA 247 Ca 0.58 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1s63 s ALA 247 Cb -0.55 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 18.99 1s63 s ALA 247 CO 0.59 -0.75 -0.00 -1.58 0.00 0.00 0.00 175.76 174.02 1s63 s HIS 248 N 0.44 0.04 0.27 0.00 2.46 -0.60 -4.62 115.29 113.28 1s63 s HIS 248 Ca 0.63 -0.03 -0.00 0.00 0.47 0.00 0.00 55.06 56.13 1s63 s HIS 248 Cb -0.42 -0.02 0.52 0.00 -0.13 0.00 0.00 32.58 32.53 1s63 s HIS 248 CO 0.38 -0.01 1.81 0.78 -2.47 0.00 0.00 174.74 175.23 1s63 h GLY 249 N 6.08 1.50 0.93 1.59 0.00 -0.96 0.12 103.07 112.33 1s63 h GLY 249 Ca -0.25 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1s63 h GLY 249 CO 0.51 0.09 0.09 -1.33 0.00 0.00 0.00 176.54 175.90 1s63 h GLY 250 N 0.84 0.24 2.00 4.60 0.00 -1.86 0.03 103.07 108.92 1s63 h GLY 250 Ca 0.47 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.60 1s63 h GLY 250 CO -0.29 0.06 -0.63 -0.97 0.00 0.00 0.00 176.54 174.71 1s63 h TYR 251 N 0.20 0.00 -0.32 5.60 0.99 -1.67 -2.44 116.97 119.32 1s63 h TYR 251 Ca 0.07 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.67 1s63 h TYR 251 Cb 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.74 1s63 h TYR 251 CO -0.09 0.63 -0.33 1.15 -0.00 0.00 0.00 178.16 179.52 1s63 h THR 252 N 0.00 1.29 0.30 -2.88 2.02 -0.56 0.24 112.91 113.31 1s63 h THR 252 Ca -0.01 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 1s63 h THR 252 Cb 1.19 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1s63 h THR 252 CO 0.08 0.49 -0.14 0.15 0.37 0.00 0.00 175.52 176.47 1s63 h PHE 253 N 0.56 -0.37 -0.44 3.16 3.57 -0.94 -0.63 116.94 121.85 1s63 h PHE 253 Ca 0.05 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1s63 h PHE 253 Cb 0.91 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 1s63 h PHE 253 CO 0.07 -0.22 0.03 0.00 -2.23 0.00 0.00 178.31 175.96 1s63 h GLY 255 N 0.15 -0.12 1.01 0.00 0.00 -0.75 -1.45 103.07 101.90 1s63 h GLY 255 Ca 0.22 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 1s63 h GLY 255 CO -0.33 -0.04 -0.14 -2.00 0.00 0.00 0.00 176.54 174.03 1s63 h LEU 256 N -0.18 0.83 -0.85 3.11 5.85 -0.95 -1.73 115.31 121.38 1s63 h LEU 256 Ca -0.01 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1s63 h LEU 256 Cb 0.15 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1s63 h LEU 256 CO 0.02 1.02 0.41 0.00 -0.34 0.00 0.00 178.44 179.55 1s63 h ALA 257 N 0.84 1.10 -0.35 1.25 0.00 -1.04 0.51 119.26 121.55 1s63 h ALA 257 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1s63 h ALA 257 Cb 0.68 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1s63 h ALA 257 CO 0.05 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.14 1s63 h ALA 258 N 1.22 0.46 -0.46 0.00 0.00 -1.09 -1.68 119.26 117.70 1s63 h ALA 258 Ca 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1s63 h ALA 258 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1s63 h ALA 258 CO -0.04 0.01 0.15 -0.07 0.00 0.00 0.00 179.25 179.30 1s63 h LEU 259 N 0.44 0.62 -0.53 0.00 3.38 -0.72 -0.91 115.31 117.59 1s63 h LEU 259 Ca 0.12 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1s63 h LEU 259 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1s63 h LEU 259 CO -0.02 0.59 0.15 0.58 0.09 0.00 0.00 178.44 179.83 1s63 h VAL 260 N 0.67 1.24 -0.75 1.22 2.07 -0.52 0.17 116.25 120.34 1s63 h VAL 260 Ca 0.16 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1s63 h VAL 260 Cb 0.19 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1s63 h VAL 260 CO -0.01 0.30 0.35 0.40 0.02 0.00 0.00 177.57 178.64 1s63 h ILE 261 N 0.74 1.24 0.00 4.57 2.04 -0.55 -1.92 117.51 123.63 1s63 h ILE 261 Ca 0.17 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1s63 h ILE 261 Cb 0.31 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1s63 h ILE 261 CO -0.00 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.62 1s63 n LEU 262 N -4.38 0.00 -3.61 1.44 4.77 -0.42 -4.91 117.00 109.89 1s63 n LEU 262 Ca 0.07 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.02 1s63 n LEU 262 Cb 0.14 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1s63 n LEU 262 CO 0.39 -0.00 0.24 0.29 -1.33 0.00 0.00 177.39 176.98 1s63 n LYS 263 N -1.21 -7.82 -0.84 3.23 5.02 0.09 -4.92 118.16 111.70 1s63 n LYS 263 Ca 0.17 0.82 0.05 0.00 -2.02 0.00 0.00 58.31 57.33 1s63 n LYS 263 Cb 0.20 -5.87 0.12 0.00 -0.02 0.00 0.00 35.03 29.47 1s63 n LYS 263 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s63 n ARG 264 N -4.96 0.89 -0.22 1.97 5.12 0.37 -4.85 116.66 114.97 1s63 n ARG 264 Ca -0.00 -2.60 0.13 0.00 -1.93 0.00 0.00 57.85 53.44 1s63 n ARG 264 Cb 0.56 -0.97 0.42 0.00 -1.16 0.00 0.00 32.46 31.32 1s63 n ARG 264 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1s63 h GLU 265 N 0.81 0.58 0.00 5.56 3.07 -1.91 -0.89 114.58 121.80 1s63 h GLU 265 Ca -0.08 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1s63 h GLU 265 Cb 1.34 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1s63 h GLU 265 CO 0.03 0.38 0.04 0.54 -1.40 0.00 0.00 179.01 178.61 1s63 n ARG 266 N -4.52 0.11 0.27 2.33 1.74 -1.26 -1.49 116.66 113.83 1s63 n ARG 266 Ca 0.15 0.60 0.18 0.00 -0.77 0.00 0.00 57.85 58.01 1s63 n ARG 266 Cb 0.46 -1.90 0.80 0.00 -1.02 0.00 0.00 32.46 30.80 1s63 n ARG 266 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1s63 h SER 267 N 0.00 0.00 -2.38 0.55 0.02 -1.54 -3.44 113.55 106.75 1s63 h SER 267 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1s63 h SER 267 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1s63 h SER 267 CO 0.00 0.00 -0.30 -0.76 -1.14 0.00 0.00 176.83 174.63 1s63 s LEU 268 N -5.86 4.08 -0.76 5.07 1.43 -0.56 -4.85 118.68 117.24 1s63 s LEU 268 Ca -0.00 0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1s63 s LEU 268 Cb 0.10 -3.02 0.08 0.00 0.03 0.00 0.00 46.19 43.38 1s63 s LEU 268 CO 0.47 -0.28 1.07 0.21 0.23 0.00 0.00 176.35 178.05 1s63 s ASN 269 N -4.06 6.30 0.45 2.29 3.84 -1.26 -4.86 114.94 117.64 1s63 s ASN 269 Ca 0.39 -1.22 0.21 0.00 0.21 0.00 0.00 52.86 52.46 1s63 s ASN 269 Cb -0.09 -2.44 1.06 0.00 -0.55 0.00 0.00 41.25 39.23 1s63 s ASN 269 CO 0.33 -1.40 1.92 -0.07 -2.79 0.00 0.00 177.10 175.09 1s63 h LEU 270 N 11.40 0.00 -0.08 3.21 3.38 -1.92 -2.56 115.31 128.73 1s63 h LEU 270 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1s63 h LEU 270 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1s63 h LEU 270 CO 1.19 0.24 -0.00 0.50 0.09 0.00 0.00 178.44 180.46 1s63 h LYS 271 N 0.00 0.15 0.00 1.13 3.11 -1.98 0.02 116.57 119.00 1s63 h LYS 271 Ca -0.00 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.68 1s63 h LYS 271 Cb 0.56 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 1s63 h LYS 271 CO 0.03 0.43 -0.51 0.66 -2.81 0.00 0.00 179.45 177.25 1s63 h SER 272 N -0.14 0.00 -0.11 4.20 4.64 -1.89 -2.22 113.55 118.03 1s63 h SER 272 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1s63 h SER 272 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1s63 h SER 272 CO 0.01 0.51 -0.09 0.25 -0.87 0.00 0.00 176.83 176.63 1s63 h LEU 273 N 0.00 0.26 -0.29 5.97 6.46 -1.36 -1.60 115.31 124.75 1s63 h LEU 273 Ca -0.01 -0.47 0.04 0.00 -0.12 0.00 0.00 57.88 57.32 1s63 h LEU 273 Cb 1.03 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 1s63 h LEU 273 CO 0.07 0.68 0.08 0.25 -0.62 0.00 0.00 178.44 178.89 1s63 h LEU 274 N -0.15 0.05 -0.97 2.25 5.85 -0.89 -0.64 115.31 120.82 1s63 h LEU 274 Ca 0.02 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1s63 h LEU 274 Cb 0.60 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1s63 h LEU 274 CO 0.02 0.06 0.13 -0.61 -0.34 0.00 0.00 178.44 177.71 1s63 h GLN 275 N 0.19 0.89 0.17 1.25 4.15 -1.40 -2.22 115.11 118.14 1s63 h GLN 275 Ca 0.13 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1s63 h GLN 275 Cb 0.13 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1s63 h GLN 275 CO -0.16 0.80 -0.08 2.35 -1.93 0.00 0.00 178.83 179.80 1s63 h TRP 276 N 0.85 -0.21 -0.60 3.99 7.01 -0.86 -2.55 115.95 123.57 1s63 h TRP 276 Ca 0.18 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1s63 h TRP 276 Cb 0.31 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 1s63 h TRP 276 CO 0.02 0.08 0.30 -0.24 -2.79 0.00 0.00 178.44 175.81 1s63 h VAL 277 N -0.51 1.21 -0.13 2.65 3.04 -1.04 -2.28 116.25 119.20 1s63 h VAL 277 Ca -0.02 -0.57 -0.03 0.00 -1.01 0.00 0.00 66.70 65.07 1s63 h VAL 277 Cb 0.39 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1s63 h VAL 277 CO 0.04 0.24 -0.04 0.71 -1.01 0.00 0.00 177.57 177.50 1s63 h THR 278 N 0.81 1.11 0.00 3.17 1.35 -1.46 -0.39 112.91 117.52 1s63 h THR 278 Ca 0.21 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1s63 h THR 278 Cb 0.10 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1s63 h THR 278 CO -0.03 0.15 0.00 -1.20 -0.25 0.00 0.00 175.52 174.19 1s63 n SER 279 N -4.38 0.61 0.01 5.36 7.64 -0.88 -2.75 113.62 119.23 1s63 n SER 279 Ca -0.01 0.64 0.14 0.00 1.01 0.00 0.00 58.87 60.64 1s63 n SER 279 Cb 0.19 -0.77 0.58 0.00 -1.01 0.00 0.00 64.21 63.20 1s63 n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1s63 n ARG 280 N -2.16 0.02 -2.62 1.43 5.12 -0.15 -4.75 116.66 113.55 1s63 n ARG 280 Ca 0.03 0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 1s63 n ARG 280 Cb 0.25 -1.52 -0.03 0.00 -1.16 0.00 0.00 32.46 30.00 1s63 n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1s63 s GLN 281 N -3.01 4.43 -0.17 5.56 0.74 -1.11 -1.57 119.66 124.53 1s63 s GLN 281 Ca 0.14 1.49 -0.29 0.00 0.05 0.00 0.00 55.36 56.74 1s63 s GLN 281 Cb 0.18 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 1s63 s GLN 281 CO 0.55 -0.30 1.27 -1.64 -0.55 0.00 0.00 175.29 174.62 1s63 s MET 282 N 1.83 4.21 0.34 1.67 -1.94 0.31 -4.93 119.30 120.79 1s63 s MET 282 Ca 0.51 1.65 0.06 0.00 -1.71 0.00 0.00 55.69 56.20 1s63 s MET 282 Cb -0.21 -3.78 0.73 0.00 2.01 0.00 0.00 34.83 33.58 1s63 s MET 282 CO 0.21 -0.74 1.88 0.07 -0.01 0.00 0.00 175.02 176.44 1s63 h ARG 283 N 8.31 0.77 0.00 2.03 0.11 -1.89 0.30 114.38 124.01 1s63 h ARG 283 Ca -0.27 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.69 1s63 h ARG 283 Cb 1.10 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 1s63 h ARG 283 CO 0.97 0.51 -0.59 0.35 0.10 0.00 0.00 179.97 181.31 1s63 h PHE 284 N 0.79 0.00 -0.17 4.08 3.57 -1.92 -3.40 116.94 119.89 1s63 h PHE 284 Ca 0.43 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.83 1s63 h PHE 284 Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1s63 h PHE 284 CO -0.00 0.67 -0.32 0.93 -2.23 0.00 0.00 178.31 177.35 1s63 h GLU 285 N -1.00 0.34 0.00 1.11 3.07 -1.93 -3.47 114.58 112.70 1s63 h GLU 285 Ca -0.12 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1s63 h GLU 285 Cb 0.77 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1s63 h GLU 285 CO -0.07 0.63 0.00 0.41 -1.40 0.00 0.00 179.01 178.58 1s63 n GLY 286 N -0.32 2.91 0.89 -3.84 0.00 0.09 -4.42 105.19 100.51 1s63 n GLY 286 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1s63 n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s63 n GLY 287 N -0.41 -0.77 3.61 -0.02 0.00 -1.26 -3.41 105.19 102.92 1s63 n GLY 287 Ca 0.00 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1s63 n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s63 s PHE 288 N -1.41 2.80 0.28 1.61 0.40 -1.26 -0.53 117.98 119.88 1s63 s PHE 288 Ca 0.17 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 1s63 s PHE 288 Cb -0.01 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 1s63 s PHE 288 CO 0.12 0.45 0.40 1.14 0.70 0.00 0.00 175.22 178.02 1s63 s GLN 289 N -2.27 3.26 0.16 0.44 -2.07 -0.61 -1.32 119.66 117.25 1s63 s GLN 289 Ca 0.23 -0.89 0.14 0.00 -1.82 0.00 0.00 55.36 53.01 1s63 s GLN 289 Cb -0.11 -2.84 -0.07 0.00 -1.09 0.00 0.00 33.01 28.90 1s63 s GLN 289 CO 0.15 0.26 1.15 0.78 -1.32 0.00 0.00 175.29 176.32 1s63 h GLY 290 N 1.06 0.00 -3.08 2.60 0.00 -1.89 -3.46 103.07 98.31 1s63 h GLY 290 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1s63 h GLY 290 CO 0.57 0.00 0.01 1.09 0.00 0.00 0.00 176.54 178.21 1s63 s ARG 291 N -2.88 1.12 0.30 4.80 1.70 -1.26 -0.31 118.95 122.41 1s63 s ARG 291 Ca 0.01 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 1s63 s ARG 291 Cb 0.08 0.50 -0.12 0.00 -0.57 0.00 0.00 34.95 34.84 1s63 s ARG 291 CO 0.79 -0.45 1.41 0.00 -1.08 0.00 0.00 175.30 175.96 1s63 n ASN 293 N 1.56 -4.64 -4.05 0.00 3.02 -1.26 -5.01 115.26 104.89 1s63 n ASN 293 Ca 0.08 0.30 -0.22 0.00 -0.03 0.00 0.00 54.58 54.71 1s63 n ASN 293 Cb 0.35 -3.43 -0.03 0.00 -0.61 0.00 0.00 39.78 36.06 1s63 n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s63 n LYS 294 N -2.56 0.99 -3.02 3.52 5.02 -0.96 -4.96 118.16 116.18 1s63 n LYS 294 Ca -0.14 -2.66 -0.29 0.00 -2.02 0.00 0.00 58.31 53.20 1s63 n LYS 294 Cb 0.48 0.52 -0.03 0.00 -0.02 0.00 0.00 35.03 35.98 1s63 n LYS 294 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s63 s LEU 295 N 0.00 3.89 0.69 -0.35 1.43 -1.26 -4.86 118.68 118.22 1s63 s LEU 295 Ca 0.11 0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 1s63 s LEU 295 Cb -0.01 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1s63 s LEU 295 CO 0.07 -0.35 1.22 0.54 0.23 0.00 0.00 176.35 178.06 1s63 s VAL 296 N -2.32 2.35 -0.28 -1.59 0.11 -1.26 -4.11 120.40 113.29 1s63 s VAL 296 Ca 0.47 0.19 -0.16 0.00 -2.93 0.00 0.00 61.98 59.56 1s63 s VAL 296 Cb -0.10 -2.86 0.10 0.00 -1.53 0.00 0.00 36.38 31.99 1s63 s VAL 296 CO 0.33 -0.08 0.76 -0.62 -3.33 0.00 0.00 175.10 172.17 1s63 s ASP 297 N -1.87 -0.85 0.52 3.54 -1.08 -0.44 -4.85 116.67 111.65 1s63 s ASP 297 Ca 0.76 1.33 0.25 0.00 -0.52 0.00 0.00 52.55 54.38 1s63 s ASP 297 Cb -0.30 1.42 1.37 0.00 -1.46 0.00 0.00 42.92 43.95 1s63 s ASP 297 CO 0.42 -0.21 1.97 1.23 0.52 0.00 0.00 175.17 179.10 1s63 h GLY 298 N 6.86 0.09 2.00 2.66 0.00 -0.78 -1.54 103.07 112.36 1s63 h GLY 298 Ca -0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1s63 h GLY 298 CO 0.16 0.01 -0.21 0.00 0.00 0.00 0.00 176.54 176.50 1s63 n TYR 300 N -3.71 0.00 0.21 0.00 0.53 -0.58 -1.59 117.16 112.03 1s63 n TYR 300 Ca -0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.93 1s63 n TYR 300 Cb 0.33 -0.33 0.57 0.00 -1.03 0.00 0.00 39.34 38.87 1s63 n TYR 300 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1s63 h SER 301 N 0.00 0.06 0.00 7.72 0.02 -1.43 -0.73 113.55 119.19 1s63 h SER 301 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1s63 h SER 301 Cb 0.20 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1s63 h SER 301 CO 0.00 0.11 -0.77 0.33 -1.14 0.00 0.00 176.83 175.35 1s63 n PHE 302 N -4.46 0.69 -0.34 3.45 7.35 -0.62 -3.57 117.46 119.97 1s63 n PHE 302 Ca -0.02 0.30 0.08 0.00 -0.76 0.00 0.00 57.45 57.05 1s63 n PHE 302 Cb 0.14 -0.75 0.25 0.00 0.35 0.00 0.00 39.48 39.46 1s63 n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1s63 h TRP 303 N -1.00 1.00 0.00 -5.13 4.06 -1.54 0.20 115.95 113.54 1s63 h TRP 303 Ca -0.06 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1s63 h TRP 303 Cb 0.74 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.59 1s63 h TRP 303 CO -0.23 0.32 -0.61 1.96 -3.56 0.00 0.00 178.44 176.32 1s63 h GLN 304 N 0.83 0.00 -0.43 0.49 1.08 -1.38 -3.37 115.11 112.33 1s63 h GLN 304 Ca 0.50 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.73 1s63 h GLN 304 Cb 0.61 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1s63 h GLN 304 CO -0.31 0.29 0.29 0.00 -0.95 0.00 0.00 178.83 178.14 1s63 h ALA 305 N -0.83 1.84 0.00 3.87 0.00 -1.56 -0.02 119.26 122.55 1s63 h ALA 305 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s63 h ALA 305 Cb 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s63 h ALA 305 CO -0.05 0.11 -0.01 0.78 0.00 0.00 0.00 179.25 180.08 1s63 h GLY 306 N 0.45 0.00 2.00 0.00 0.00 -0.72 -1.26 103.07 103.54 1s63 h GLY 306 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 1s63 h GLY 306 CO -0.04 0.00 -0.28 1.41 0.00 0.00 0.00 176.54 177.63 1s63 h LEU 307 N 0.00 0.00 -0.37 3.11 3.38 -1.14 -3.22 115.31 117.06 1s63 h LEU 307 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1s63 h LEU 307 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1s63 h LEU 307 CO 0.00 0.28 0.09 -0.07 0.09 0.00 0.00 178.44 178.83 1s63 h LEU 308 N 0.00 0.57 -1.26 1.67 -0.00 -1.35 0.56 115.31 115.50 1s63 h LEU 308 Ca -0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 57.88 57.59 1s63 h LEU 308 Cb 0.61 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1s63 h LEU 308 CO 0.04 0.65 -0.07 -0.65 -0.00 0.00 0.00 178.44 178.41 1s63 h PRO 309 N 0.46 0.42 -0.31 1.13 0.11 -1.70 0.04 132.00 132.14 1s63 h PRO 309 Ca 0.12 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 1s63 h PRO 309 Cb 0.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1s63 h PRO 309 CO 0.00 0.51 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.16 1s63 h LEU 310 N 0.40 0.60 -0.61 2.35 3.38 -1.50 -1.91 115.31 118.01 1s63 h LEU 310 Ca 0.08 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1s63 h LEU 310 Cb 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1s63 h LEU 310 CO 0.02 0.81 0.08 -0.07 0.09 0.00 0.00 178.44 179.38 1s63 h LEU 311 N 0.37 0.99 -0.06 1.67 3.38 -0.68 -1.65 115.31 119.32 1s63 h LEU 311 Ca 0.08 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1s63 h LEU 311 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1s63 h LEU 311 CO 0.03 1.00 -0.09 -0.74 0.09 0.00 0.00 178.44 178.73 1s63 h HIS 312 N 0.93 -0.23 -0.51 1.13 2.76 -0.88 0.39 115.15 118.74 1s63 h HIS 312 Ca 0.18 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 1s63 h HIS 312 Cb 0.45 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.47 1s63 h HIS 312 CO 0.03 -0.14 0.25 -0.09 -1.30 0.00 0.00 177.93 176.68 1s63 h ARG 313 N -0.13 0.46 0.04 5.26 9.65 -1.23 -0.10 114.38 128.33 1s63 h ARG 313 Ca 0.06 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1s63 h ARG 313 Cb 0.21 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1s63 h ARG 313 CO -0.14 0.31 -0.02 0.00 2.80 0.00 0.00 179.97 182.92 1s63 h ALA 314 N 1.29 -0.05 -0.43 2.80 0.00 -0.88 -1.37 119.26 120.62 1s63 h ALA 314 Ca 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1s63 h ALA 314 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1s63 h ALA 314 CO -0.18 -0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 178.42 1s63 h LEU 315 N -0.13 0.74 -0.98 0.00 3.38 -0.81 -2.76 115.31 114.75 1s63 h LEU 315 Ca -0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1s63 h LEU 315 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1s63 h LEU 315 CO 0.01 0.87 0.18 -0.74 0.09 0.00 0.00 178.44 178.85 1s63 h HIS 316 N 0.69 0.95 -0.39 1.13 2.76 -0.86 -1.79 115.15 117.64 1s63 h HIS 316 Ca 0.12 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1s63 h HIS 316 Cb 0.56 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1s63 h HIS 316 CO 0.03 0.77 0.09 0.00 -1.30 0.00 0.00 177.93 177.52 1s63 h ALA 317 N 1.30 1.44 -0.02 5.26 0.00 -0.97 -0.75 119.26 125.53 1s63 h ALA 317 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s63 h ALA 317 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s63 h ALA 317 CO -0.01 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.70 1s63 n GLN 318 N -4.33 1.17 -3.01 0.00 6.02 -0.74 -4.92 117.38 111.57 1s63 n GLN 318 Ca 0.02 -0.25 -0.11 0.00 -0.01 0.00 0.00 57.00 56.65 1s63 n GLN 318 Cb 0.19 -1.42 0.04 0.00 1.02 0.00 0.00 30.24 30.07 1s63 n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s63 n GLY 319 N 0.97 0.26 3.63 1.08 0.00 -0.29 -4.95 105.19 105.89 1s63 n GLY 319 Ca 0.19 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1s63 n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s63 s ASP 320 N -3.15 6.28 0.00 1.61 -1.08 -0.80 -4.88 116.67 114.65 1s63 s ASP 320 Ca 0.27 1.76 0.23 0.00 -0.52 0.00 0.00 52.55 54.29 1s63 s ASP 320 Cb -0.12 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 39.82 1s63 s ASP 320 CO 0.34 -1.32 1.74 -0.81 0.52 0.00 0.00 175.17 175.64 1s63 n PRO 321 N 7.77 0.05 0.00 4.34 -0.04 -1.26 -3.41 135.00 142.45 1s63 n PRO 321 Ca 0.20 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1s63 n PRO 321 Cb 0.45 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.55 1s63 n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s63 n ALA 322 N -1.47 2.58 -1.77 0.55 0.00 -1.26 -4.98 120.51 114.17 1s63 n ALA 322 Ca 0.06 -0.66 -0.39 0.00 0.00 0.00 0.00 53.44 52.46 1s63 n ALA 322 Cb 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1s63 n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s63 s LEU 323 N -2.05 4.11 0.62 0.00 1.43 -1.22 -4.98 118.68 116.59 1s63 s LEU 323 Ca 0.28 2.58 -0.17 0.00 -1.03 0.00 0.00 54.13 55.79 1s63 s LEU 323 Cb 0.20 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1s63 s LEU 323 CO 0.33 -0.97 1.15 -0.55 0.23 0.00 0.00 176.35 176.54 1s63 s SER 324 N -0.93 5.19 -0.08 2.29 0.15 -1.26 -4.95 113.70 114.10 1s63 s SER 324 Ca 0.61 2.17 0.13 0.00 0.70 0.00 0.00 55.95 59.56 1s63 s SER 324 Cb -0.36 -2.57 0.40 0.00 -1.71 0.00 0.00 66.02 61.78 1s63 s SER 324 CO 0.45 -1.58 1.32 0.23 1.20 0.00 0.00 173.24 174.86 1s63 n MET 325 N -1.97 2.88 0.00 5.44 0.00 -1.26 -4.68 117.12 117.53 1s63 n MET 325 Ca 0.12 -2.40 0.00 0.00 0.00 0.00 0.00 57.70 55.42 1s63 n MET 325 Cb 0.51 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 32.20 1s63 n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1s63 n SER 326 N -0.01 0.00 -4.06 7.83 3.41 -1.26 -4.78 113.62 114.75 1s63 n SER 326 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 1s63 n SER 326 Cb 0.64 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1s63 n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1s63 s HIS 327 N 0.00 0.56 0.59 7.33 3.76 -1.26 -4.70 115.29 121.56 1s63 s HIS 327 Ca 0.00 -0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 54.14 1s63 s HIS 327 Cb 0.00 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 33.29 1s63 s HIS 327 CO 0.00 -0.17 0.99 -1.58 -0.85 0.00 0.00 174.74 173.14 1s63 s TRP 328 N -2.13 3.59 -0.18 1.40 0.23 -1.26 -4.67 118.94 115.92 1s63 s TRP 328 Ca -0.06 1.26 -0.05 0.00 -2.03 0.00 0.00 56.10 55.23 1s63 s TRP 328 Cb -0.05 -2.68 -0.12 0.00 0.03 0.00 0.00 33.47 30.65 1s63 s TRP 328 CO -0.02 -0.59 3.18 -1.33 0.96 0.00 0.00 176.95 179.15 1s63 n MET 329 N -2.50 2.09 -4.06 4.98 2.81 -1.26 -4.78 117.12 114.40 1s63 n MET 329 Ca 0.05 -1.46 -0.10 0.00 -1.81 0.00 0.00 57.70 54.38 1s63 n MET 329 Cb 0.54 -1.99 -0.07 0.00 -0.71 0.00 0.00 33.22 30.99 1s63 n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1s63 s PHE 330 N -0.14 0.63 -0.88 2.03 -0.12 -1.26 -4.82 117.98 113.42 1s63 s PHE 330 Ca 0.60 -0.94 -0.23 0.00 -0.05 0.00 0.00 56.93 56.30 1s63 s PHE 330 Cb 0.33 -0.08 0.06 0.00 -0.63 0.00 0.00 43.02 42.70 1s63 s PHE 330 CO -0.08 -0.86 1.29 -1.58 -0.05 0.00 0.00 175.22 173.94 1s63 s HIS 331 N -4.06 2.57 0.22 3.49 5.65 -1.26 -4.85 115.29 117.04 1s63 s HIS 331 Ca 0.28 -0.66 -0.09 0.00 0.25 0.00 0.00 55.06 54.83 1s63 s HIS 331 Cb 0.02 -4.56 0.21 0.00 -1.18 0.00 0.00 32.58 27.07 1s63 s HIS 331 CO 0.09 -1.87 1.86 1.96 -0.65 0.00 0.00 174.74 176.14 1s63 h GLN 332 N 9.68 0.94 -0.18 2.88 4.20 -1.88 -2.04 115.11 128.71 1s63 h GLN 332 Ca -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1s63 h GLN 332 Cb 1.03 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1s63 h GLN 332 CO 1.30 0.62 0.01 0.37 -0.67 0.00 0.00 178.83 180.46 1s63 h GLN 333 N 0.96 0.31 -0.80 1.46 4.15 -1.88 -2.35 115.11 116.96 1s63 h GLN 333 Ca 0.30 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1s63 h GLN 333 Cb -0.01 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 1s63 h GLN 333 CO -0.10 0.50 0.45 0.00 -1.93 0.00 0.00 178.83 177.76 1s63 h ALA 334 N 0.80 1.30 -0.55 3.38 0.00 -1.84 -0.58 119.26 121.76 1s63 h ALA 334 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1s63 h ALA 334 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1s63 h ALA 334 CO 0.01 0.58 0.15 1.25 0.00 0.00 0.00 179.25 181.24 1s63 h LEU 335 N 1.11 0.83 -1.18 0.00 5.85 -1.29 -0.99 115.31 119.64 1s63 h LEU 335 Ca 0.28 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1s63 h LEU 335 Cb -0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1s63 h LEU 335 CO -0.05 0.84 0.18 1.56 -0.34 0.00 0.00 178.44 180.62 1s63 h GLN 336 N 0.78 0.75 -0.31 1.25 4.20 -0.83 -1.47 115.11 119.48 1s63 h GLN 336 Ca 0.18 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1s63 h GLN 336 Cb 0.32 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1s63 h GLN 336 CO -0.00 0.64 0.06 0.93 -0.67 0.00 0.00 178.83 179.79 1s63 h GLU 337 N 0.74 0.50 -0.27 1.46 5.08 -0.61 -0.25 114.58 121.23 1s63 h GLU 337 Ca 0.17 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1s63 h GLU 337 Cb 0.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1s63 h GLU 337 CO -0.01 0.59 0.15 -0.92 -1.00 0.00 0.00 179.01 177.83 1s63 h TYR 338 N 0.33 0.37 0.09 4.33 3.20 -0.83 -0.40 116.97 124.06 1s63 h TYR 338 Ca 0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1s63 h TYR 338 Cb 0.33 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1s63 h TYR 338 CO 0.02 0.30 -0.04 0.82 -1.64 0.00 0.00 178.16 177.62 1s63 h ILE 339 N 0.33 1.05 -0.58 1.81 2.04 -1.14 0.35 117.51 121.37 1s63 h ILE 339 Ca 0.10 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1s63 h ILE 339 Cb 0.05 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1s63 h ILE 339 CO -0.02 0.13 0.09 -0.07 0.00 0.00 0.00 178.15 178.28 1s63 h LEU 340 N -0.36 0.92 0.05 1.44 3.38 -1.02 -1.34 115.31 118.38 1s63 h LEU 340 Ca -0.01 -0.26 -0.28 0.00 0.09 0.00 0.00 57.88 57.41 1s63 h LEU 340 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1s63 h LEU 340 CO 0.02 0.95 -1.49 0.24 0.09 0.00 0.00 178.44 178.25 1s63 h MET 341 N 0.86 0.10 0.00 1.13 2.86 -1.12 -3.41 114.93 115.35 1s63 h MET 341 Ca 0.17 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s63 h MET 341 Cb 0.43 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1s63 h MET 341 CO 0.01 0.87 -1.01 0.00 1.06 0.00 0.00 176.91 177.84 1s63 s GLN 344 N -1.02 3.78 -0.11 0.00 -0.21 -1.24 -0.56 119.66 120.30 1s63 s GLN 344 Ca 0.28 -0.25 -0.22 0.00 0.02 0.00 0.00 55.36 55.18 1s63 s GLN 344 Cb 0.15 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 1s63 s GLN 344 CO 0.19 0.47 0.67 0.00 -2.12 0.00 0.00 175.29 174.51 1s63 h PRO 346 N 6.95 0.00 -0.01 0.00 0.13 -1.98 -0.07 132.00 137.02 1s63 h PRO 346 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1s63 h PRO 346 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1s63 h PRO 346 CO 0.77 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.51 1s63 n ALA 347 N -2.44 2.66 0.00 -0.56 0.00 -1.26 -5.01 120.51 113.90 1s63 n ALA 347 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1s63 n ALA 347 Cb 0.53 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1s63 n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s63 n GLY 348 N 1.12 2.74 0.00 0.00 0.00 -0.04 -4.82 105.19 104.18 1s63 n GLY 348 Ca 0.20 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1s63 n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s63 n GLY 349 N 0.67 0.45 3.62 -0.02 0.00 -1.26 -4.57 105.19 104.08 1s63 n GLY 349 Ca 0.00 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1s63 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s63 s LEU 350 N -1.33 2.88 0.31 0.99 1.02 -1.26 -0.91 118.68 120.38 1s63 s LEU 350 Ca 0.00 -1.36 -0.05 0.00 0.02 0.00 0.00 54.13 52.74 1s63 s LEU 350 Cb 0.00 -0.91 -0.00 0.00 0.02 0.00 0.00 46.19 45.30 1s63 s LEU 350 CO 0.00 -0.45 0.45 -1.48 0.02 0.00 0.00 176.35 174.89 1s63 s LEU 351 N -3.71 0.87 0.04 1.79 0.05 0.28 -3.28 118.68 114.71 1s63 s LEU 351 Ca 0.35 -1.36 -0.26 0.00 0.05 0.00 0.00 54.13 52.90 1s63 s LEU 351 Cb 0.10 1.47 -0.14 0.00 -2.05 0.00 0.00 46.19 45.56 1s63 s LEU 351 CO 0.18 -1.24 1.35 -0.78 -0.55 0.00 0.00 176.35 175.31 1s63 h ASP 352 N 2.17 -0.80 -5.01 1.48 1.82 -1.88 -3.36 116.42 110.84 1s63 h ASP 352 Ca -0.28 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.40 1s63 h ASP 352 Cb 1.24 0.21 -0.09 0.00 0.68 0.00 0.00 39.33 41.37 1s63 h ASP 352 CO 0.39 -0.56 0.19 -1.59 -1.61 0.00 0.00 179.24 176.06 1s63 s LYS 353 N -4.99 1.51 0.20 0.28 -2.85 -1.26 -0.26 119.74 112.37 1s63 s LYS 353 Ca -0.14 -0.75 -0.32 0.00 -1.00 0.00 0.00 55.97 53.76 1s63 s LYS 353 Cb 0.01 0.59 -0.14 0.00 -2.06 0.00 0.00 37.83 36.23 1s63 s LYS 353 CO 0.41 -0.67 1.35 -2.30 0.10 0.00 0.00 175.35 174.24 1s63 n PRO 354 N -0.41 1.74 0.00 1.78 -0.02 -1.23 -1.62 135.00 135.25 1s63 n PRO 354 Ca -0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1s63 n PRO 354 Cb 0.62 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1s63 n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s63 n GLY 355 N 2.25 3.02 3.92 -1.23 0.00 -1.26 -5.06 105.19 106.83 1s63 n GLY 355 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1s63 n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s63 s LYS 356 N -0.59 3.18 0.15 1.61 -0.14 -0.64 -5.09 119.74 118.23 1s63 s LYS 356 Ca 0.00 -0.07 -0.01 0.00 -1.36 0.00 0.00 55.97 54.53 1s63 s LYS 356 Cb 0.00 -2.39 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 1s63 s LYS 356 CO 0.00 -0.39 0.33 -1.54 -0.76 0.00 0.00 175.35 172.99 1s63 s SER 357 N -4.21 6.40 0.70 2.83 1.04 -1.26 -4.91 113.70 114.29 1s63 s SER 357 Ca 0.50 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 57.16 1s63 s SER 357 Cb -0.10 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 64.04 1s63 s SER 357 CO 0.43 0.04 1.16 0.00 0.98 0.00 0.00 173.24 175.85 1s63 s ARG 358 N -2.98 2.44 0.16 4.02 1.70 -1.26 -4.71 118.95 118.31 1s63 s ARG 358 Ca 0.38 1.59 -0.22 0.00 -0.47 0.00 0.00 55.73 57.01 1s63 s ARG 358 Cb -0.12 -1.89 0.06 0.00 -0.57 0.00 0.00 34.95 32.44 1s63 s ARG 358 CO 0.28 -1.57 0.58 0.16 -1.08 0.00 0.00 175.30 173.66 1s63 s ASP 359 N -2.28 -0.50 0.35 -2.89 1.47 -1.21 -5.02 116.67 106.59 1s63 s ASP 359 Ca 0.71 -0.09 0.08 0.00 1.18 0.00 0.00 52.55 54.43 1s63 s ASP 359 Cb -0.25 0.59 0.64 0.00 -0.34 0.00 0.00 42.92 43.55 1s63 s ASP 359 CO 0.43 -0.97 1.82 -0.26 0.68 0.00 0.00 175.17 176.87 1s63 h PHE 360 N 2.06 0.27 -0.07 2.11 -1.00 -1.97 -1.91 116.94 116.43 1s63 h PHE 360 Ca -0.33 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.40 1s63 h PHE 360 Cb 1.30 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.78 1s63 h PHE 360 CO 0.26 0.48 0.04 -0.92 -1.61 0.00 0.00 178.31 176.56 1s63 h TYR 361 N 0.23 0.09 0.00 -0.55 3.20 -1.94 -0.80 116.97 117.19 1s63 h TYR 361 Ca 0.04 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1s63 h TYR 361 Cb 0.56 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1s63 h TYR 361 CO 0.01 0.12 -0.52 0.45 -1.64 0.00 0.00 178.16 176.58 1s63 h HIS 362 N 0.04 0.00 -0.41 -3.82 3.86 -1.80 -1.95 115.15 111.07 1s63 h HIS 362 Ca 0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1s63 h HIS 362 Cb 0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1s63 h HIS 362 CO -0.05 0.52 0.10 1.15 0.86 0.00 0.00 177.93 180.50 1s63 h THR 363 N 0.00 1.23 0.35 2.45 2.02 -1.05 0.19 112.91 118.09 1s63 h THR 363 Ca -0.01 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1s63 h THR 363 Cb 0.93 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1s63 h THR 363 CO 0.07 0.28 -0.17 0.00 0.37 0.00 0.00 175.52 176.07 1s63 h TYR 365 N -0.54 0.01 -0.40 0.00 -1.99 -1.31 -0.11 116.97 112.63 1s63 h TYR 365 Ca -0.05 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.59 1s63 h TYR 365 Cb 0.41 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1s63 h TYR 365 CO -0.03 0.74 -0.10 0.00 -0.00 0.00 0.00 178.16 178.77 1s63 h LEU 367 N 0.58 0.93 -0.65 0.00 3.38 -1.35 -0.73 115.31 117.47 1s63 h LEU 367 Ca 0.10 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1s63 h LEU 367 Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1s63 h LEU 367 CO 0.04 1.18 0.42 0.28 0.09 0.00 0.00 178.44 180.45 1s63 h SER 368 N 0.70 0.70 -0.55 -0.43 0.02 -0.90 -1.27 113.55 111.82 1s63 h SER 368 Ca 0.07 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 1s63 h SER 368 Cb 0.88 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1s63 h SER 368 CO 0.08 0.50 -0.11 1.23 -1.14 0.00 0.00 176.83 177.39 1s63 h GLY 369 N 0.83 1.13 0.82 -3.77 0.00 -0.96 -2.22 103.07 98.90 1s63 h GLY 369 Ca 0.25 -0.91 0.03 0.00 0.00 0.00 0.00 47.33 46.70 1s63 h GLY 369 CO -0.08 0.84 0.35 -2.00 0.00 0.00 0.00 176.54 175.64 1s63 h LEU 370 N 0.93 0.55 -0.66 3.11 5.85 -0.75 -0.67 115.31 123.67 1s63 h LEU 370 Ca 0.14 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1s63 h LEU 370 Cb 0.68 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1s63 h LEU 370 CO 0.05 0.38 0.33 -1.28 -0.34 0.00 0.00 178.44 177.58 1s63 h SER 371 N 0.68 0.86 -0.67 1.25 0.87 -1.03 -0.85 113.55 114.66 1s63 h SER 371 Ca 0.25 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1s63 h SER 371 Cb 0.07 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1s63 h SER 371 CO -0.12 0.74 0.22 0.40 -0.53 0.00 0.00 176.83 177.54 1s63 h ILE 372 N 0.91 1.25 0.00 2.23 2.04 -0.94 -1.95 117.51 121.05 1s63 h ILE 372 Ca 0.23 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1s63 h ILE 372 Cb 0.10 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1s63 h ILE 372 CO -0.03 0.33 -0.27 0.00 0.00 0.00 0.00 178.15 178.17 1s63 h ALA 373 N 1.09 1.43 0.00 1.87 0.00 -0.69 -2.94 119.26 120.02 1s63 h ALA 373 Ca 0.22 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1s63 h ALA 373 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1s63 h ALA 373 CO -0.01 0.34 -1.10 1.96 0.00 0.00 0.00 179.25 180.44 1s63 h GLN 374 N 0.00 0.00 -5.05 0.00 4.20 -0.83 -3.43 115.11 109.99 1s63 h GLN 374 Ca -0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 1s63 h GLN 374 Cb 0.52 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.95 1s63 h GLN 374 CO 0.04 0.84 -0.86 -1.01 -0.67 0.00 0.00 178.83 177.17 1s63 s HIS 375 N -2.71 2.65 -0.07 2.96 3.76 -0.76 -0.74 115.29 120.37 1s63 s HIS 375 Ca 0.00 -1.48 0.02 0.00 -0.15 0.00 0.00 55.06 53.45 1s63 s HIS 375 Cb 0.09 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 1s63 s HIS 375 CO 0.81 -0.72 -0.11 0.12 -0.85 0.00 0.00 174.74 174.00 1s63 s PHE 376 N 1.14 2.83 -0.19 1.40 5.36 -0.79 -4.80 117.98 122.93 1s63 s PHE 376 Ca 0.01 -0.16 -0.12 0.00 -0.96 0.00 0.00 56.93 55.70 1s63 s PHE 376 Cb -0.14 -1.71 0.06 0.00 -0.34 0.00 0.00 43.02 40.89 1s63 s PHE 376 CO -0.09 0.18 0.47 0.20 -1.46 0.00 0.00 175.22 174.52 1s63 s GLY 377 N -0.55 -0.39 -0.28 13.12 0.00 -1.26 -1.10 107.32 116.86 1s63 s GLY 377 Ca 0.08 1.64 -0.03 0.00 0.00 0.00 0.00 44.72 46.41 1s63 s GLY 377 CO 0.02 1.69 0.55 -0.45 0.00 0.00 0.00 173.10 174.91 1s63 s SER 378 N 1.18 -0.98 1.45 1.64 0.15 0.10 -5.01 113.70 112.24 1s63 s SER 378 Ca -0.07 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1s63 s SER 378 Cb -0.07 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.18 1s63 s SER 378 CO -0.11 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1s63 n GLY 379 N 5.42 2.11 0.28 9.45 0.00 -1.26 -1.60 105.19 119.59 1s63 n GLY 379 Ca -0.03 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1s63 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s63 n ALA 380 N 10.89 3.42 -2.45 4.61 0.00 -1.26 -4.90 120.51 130.82 1s63 n ALA 380 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1s63 n ALA 380 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1s63 n ALA 380 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1s63 s MET 381 N -2.58 4.34 -0.05 0.00 1.00 -0.62 -5.03 119.30 116.35 1s63 s MET 381 Ca 0.20 1.68 0.01 0.00 0.00 0.00 0.00 55.69 57.58 1s63 s MET 381 Cb 0.18 -3.57 0.02 0.00 0.00 0.00 0.00 34.83 31.47 1s63 s MET 381 CO 0.58 -0.46 -0.06 -0.51 0.00 0.00 0.00 175.02 174.57 1s63 s LEU 382 N 2.28 1.35 -0.16 -0.03 1.02 -1.26 -0.72 118.68 121.16 1s63 s LEU 382 Ca 0.56 -0.16 -0.04 0.00 0.02 0.00 0.00 54.13 54.51 1s63 s LEU 382 Cb -0.25 -0.52 0.07 0.00 0.02 0.00 0.00 46.19 45.52 1s63 s LEU 382 CO 0.22 -0.05 0.20 -2.28 0.02 0.00 0.00 176.35 174.46 1s63 s HIS 383 N 0.93 -0.22 0.01 0.29 2.46 -0.26 -5.00 115.29 113.50 1s63 s HIS 383 Ca -0.11 0.34 -0.06 0.00 0.47 0.00 0.00 55.06 55.70 1s63 s HIS 383 Cb -0.14 -0.34 -0.05 0.00 -0.13 0.00 0.00 32.58 31.92 1s63 s HIS 383 CO 0.00 -0.48 0.27 -0.51 -2.47 0.00 0.00 174.74 171.55 1s63 s ASP 384 N 2.31 6.50 -0.44 9.88 -0.00 -1.26 -1.88 116.67 131.77 1s63 s ASP 384 Ca 0.05 0.56 0.03 0.00 -0.00 0.00 0.00 52.55 53.18 1s63 s ASP 384 Cb -0.14 -2.09 0.15 0.00 -0.00 0.00 0.00 42.92 40.84 1s63 s ASP 384 CO -0.10 0.25 0.30 -0.69 -0.00 0.00 0.00 175.17 174.93 1s63 s VAL 385 N -1.31 0.93 -0.53 -1.27 1.01 0.08 -5.02 120.40 114.29 1s63 s VAL 385 Ca 0.28 -2.60 -0.17 0.00 0.00 0.00 0.00 61.98 59.49 1s63 s VAL 385 Cb -0.13 -1.65 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1s63 s VAL 385 CO 0.16 -1.05 0.53 -0.69 0.00 0.00 0.00 175.10 174.05 1s63 s VAL 386 N 0.20 5.10 0.35 2.92 1.01 -1.26 -4.29 120.40 124.43 1s63 s VAL 386 Ca 0.24 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1s63 s VAL 386 Cb -0.12 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1s63 s VAL 386 CO -0.09 -0.83 1.14 -0.22 0.00 0.00 0.00 175.10 175.11 1s63 s LEU 387 N 1.95 4.34 0.00 3.92 2.96 -1.26 -4.84 118.68 125.75 1s63 s LEU 387 Ca 0.06 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.29 1s63 s LEU 387 Cb -0.26 -3.86 0.00 0.00 0.50 0.00 0.00 46.19 42.57 1s63 s LEU 387 CO 0.06 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1s63 n GLY 388 N 0.80 -1.25 3.76 7.98 0.00 -1.26 -4.84 105.19 110.39 1s63 n GLY 388 Ca 0.02 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1s63 n GLY 388 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s63 s VAL 389 N 0.00 2.48 0.51 1.61 -7.23 -0.80 -4.84 120.40 112.14 1s63 s VAL 389 Ca 0.00 0.39 0.28 0.00 -1.81 0.00 0.00 61.98 60.84 1s63 s VAL 389 Cb 0.00 -3.21 0.45 0.00 0.56 0.00 0.00 36.38 34.17 1s63 s VAL 389 CO 0.00 0.03 1.91 -0.65 -0.31 0.00 0.00 175.10 176.07 1s63 h PRO 390 N 2.12 0.07 0.00 4.82 0.11 -1.90 -1.23 132.00 135.99 1s63 h PRO 390 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1s63 h PRO 390 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1s63 h PRO 390 CO 0.60 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 1s63 n GLU 391 N -4.34 0.03 0.26 1.05 4.71 -1.26 -2.28 120.64 118.82 1s63 n GLU 391 Ca 0.17 0.30 0.14 0.00 -0.01 0.00 0.00 57.16 57.76 1s63 n GLU 391 Cb 0.84 -1.50 0.65 0.00 -1.01 0.00 0.00 31.44 30.42 1s63 n GLU 391 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1s63 h ASN 392 N 0.00 0.00 -2.00 1.62 2.35 -1.54 -3.45 115.58 112.56 1s63 h ASN 392 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1s63 h ASN 392 Cb 0.15 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.54 1s63 h ASN 392 CO 0.00 0.10 1.06 0.00 -1.65 0.00 0.00 177.43 176.95 1s63 n ALA 393 N -2.17 0.80 -2.26 -0.83 0.00 -0.96 -4.97 120.51 110.12 1s63 n ALA 393 Ca -0.00 0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 1s63 n ALA 393 Cb 0.32 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 17.31 1s63 n ALA 393 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s63 s LEU 394 N 3.84 3.70 0.46 0.00 1.43 -1.26 -5.03 118.68 121.82 1s63 s LEU 394 Ca 0.92 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.74 1s63 s LEU 394 Cb -0.72 -2.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 1s63 s LEU 394 CO 0.52 -0.69 1.12 -1.10 0.23 0.00 0.00 176.35 176.42 1s63 s GLN 395 N -4.42 3.81 0.77 1.70 -1.52 -0.20 -5.00 119.66 114.79 1s63 s GLN 395 Ca 0.50 1.64 -0.12 0.00 -1.95 0.00 0.00 55.36 55.42 1s63 s GLN 395 Cb -0.10 -2.34 0.06 0.00 -0.22 0.00 0.00 33.01 30.40 1s63 s GLN 395 CO 0.35 -0.48 1.12 -1.25 -0.25 0.00 0.00 175.29 174.78 1s63 s PRO 396 N -2.80 2.14 0.06 2.91 0.04 -1.26 -4.83 135.00 131.27 1s63 s PRO 396 Ca 0.64 1.37 0.07 0.00 0.04 0.00 0.00 61.00 63.12 1s63 s PRO 396 Cb -0.25 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1s63 s PRO 396 CO 0.30 -1.76 -0.19 -0.08 0.04 0.00 0.00 177.00 175.31 1s63 s THR 397 N -2.60 1.51 -0.04 1.26 -1.32 -1.26 -4.34 115.64 108.85 1s63 s THR 397 Ca 0.65 -1.28 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 1s63 s THR 397 Cb -0.21 -1.35 -0.02 0.00 -1.51 0.00 0.00 72.50 69.41 1s63 s THR 397 CO 0.51 0.04 1.02 -2.28 -2.21 0.00 0.00 174.62 171.70 1s63 s HIS 398 N -0.97 3.55 0.42 9.09 2.46 0.33 -4.76 115.29 125.41 1s63 s HIS 398 Ca 0.05 1.59 0.34 0.00 0.47 0.00 0.00 55.06 57.51 1s63 s HIS 398 Cb -0.09 -3.19 1.73 0.00 -0.13 0.00 0.00 32.58 30.90 1s63 s HIS 398 CO 0.02 -0.28 2.15 -1.00 -2.47 0.00 0.00 174.74 173.16 1s63 h PRO 399 N 6.97 0.00 0.00 2.88 0.13 -1.93 0.18 132.00 140.24 1s63 h PRO 399 Ca -0.36 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1s63 h PRO 399 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1s63 h PRO 399 CO 0.81 0.05 -0.51 0.28 -0.23 0.00 0.00 178.00 178.40 1s63 h VAL 400 N 0.00 1.16 0.00 1.56 2.07 -1.93 -3.41 116.25 115.71 1s63 h VAL 400 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1s63 h VAL 400 Cb 0.27 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1s63 h VAL 400 CO 0.01 0.39 -1.25 -1.22 0.02 0.00 0.00 177.57 175.52 1s63 n TYR 401 N -4.56 0.71 -3.58 1.57 4.02 -1.21 -4.98 117.16 109.13 1s63 n TYR 401 Ca -0.17 0.21 -0.22 0.00 -0.01 0.00 0.00 57.90 57.71 1s63 n TYR 401 Cb 0.49 -0.83 0.07 0.00 -0.02 0.00 0.00 39.34 39.06 1s63 n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1s63 n ASN 402 N -2.55 -3.96 -4.15 7.72 5.15 0.63 -5.00 115.26 113.11 1s63 n ASN 402 Ca -0.01 -0.63 -0.10 0.00 -0.60 0.00 0.00 54.58 53.25 1s63 n ASN 402 Cb 0.55 -4.84 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 1s63 n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1s63 s ILE 403 N -3.37 0.26 0.38 -1.44 -4.36 -1.26 -4.88 121.20 106.52 1s63 s ILE 403 Ca 0.30 -1.90 -0.26 0.00 -0.26 0.00 0.00 60.65 58.53 1s63 s ILE 403 Cb -0.14 -1.90 -0.11 0.00 1.25 0.00 0.00 42.46 41.56 1s63 s ILE 403 CO 0.75 -0.63 1.15 0.61 0.24 0.00 0.00 174.94 177.06 1s63 n GLY 404 N -0.06 0.20 0.34 6.27 0.00 -1.26 -0.51 105.19 110.16 1s63 n GLY 404 Ca -0.08 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1s63 n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1s63 h PRO 405 N 2.04 0.61 -0.74 1.61 0.11 -1.86 -0.69 132.00 133.08 1s63 h PRO 405 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1s63 h PRO 405 Cb 1.31 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1s63 h PRO 405 CO 0.60 0.41 0.31 0.38 -0.21 0.00 0.00 178.00 179.48 1s63 h ASP 406 N 0.63 1.02 -0.63 -2.05 2.03 -1.93 -1.62 116.42 113.87 1s63 h ASP 406 Ca 0.24 -0.17 -0.09 0.00 -0.73 0.00 0.00 57.03 56.28 1s63 h ASP 406 Cb 0.17 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 1s63 h ASP 406 CO -0.07 0.91 0.02 0.11 -1.03 0.00 0.00 179.24 179.18 1s63 h LYS 407 N 1.07 1.09 -0.04 4.15 1.79 -1.51 -1.13 116.57 121.98 1s63 h LYS 407 Ca 0.25 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1s63 h LYS 407 Cb 0.20 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1s63 h LYS 407 CO -0.02 1.04 0.02 0.28 -1.08 0.00 0.00 179.45 179.70 1s63 h VAL 408 N 0.99 1.08 -0.47 0.50 2.07 -1.01 -0.71 116.25 118.71 1s63 h VAL 408 Ca 0.18 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1s63 h VAL 408 Cb 0.54 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1s63 h VAL 408 CO 0.03 0.07 0.25 0.40 0.02 0.00 0.00 177.57 178.34 1s63 h ILE 409 N -0.03 1.17 -0.31 4.57 2.04 -1.16 -0.51 117.51 123.27 1s63 h ILE 409 Ca 0.02 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1s63 h ILE 409 Cb 0.09 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1s63 h ILE 409 CO -0.00 0.18 0.11 -0.61 0.00 0.00 0.00 178.15 177.82 1s63 h GLN 410 N 0.62 0.48 0.05 2.37 4.15 -1.16 -0.34 115.11 121.29 1s63 h GLN 410 Ca 0.16 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1s63 h GLN 410 Cb 0.06 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1s63 h GLN 410 CO -0.03 0.51 -0.02 0.00 -1.93 0.00 0.00 178.83 177.36 1s63 h ALA 411 N 0.95 -0.07 -0.81 3.38 0.00 -0.97 -1.54 119.26 120.20 1s63 h ALA 411 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s63 h ALA 411 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1s63 h ALA 411 CO -0.00 -0.43 0.44 1.79 0.00 0.00 0.00 179.25 181.04 1s63 h THR 412 N -0.28 1.24 -0.35 0.00 1.35 -1.06 -0.65 112.91 113.16 1s63 h THR 412 Ca -0.01 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 1s63 h THR 412 Cb 0.25 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 66.81 1s63 h THR 412 CO 0.01 0.27 0.19 0.74 -0.25 0.00 0.00 175.52 176.48 1s63 h THR 413 N 1.14 1.14 0.19 6.82 2.02 -0.98 -0.03 112.91 123.20 1s63 h THR 413 Ca 0.29 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1s63 h THR 413 Cb 0.04 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1s63 h THR 413 CO -0.04 0.14 -0.09 0.22 0.37 0.00 0.00 175.52 176.12 1s63 h TYR 414 N 0.44 -0.23 0.00 3.16 3.20 -0.64 -3.03 116.97 119.87 1s63 h TYR 414 Ca 0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1s63 h TYR 414 Cb 0.06 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1s63 h TYR 414 CO -0.03 -0.12 -0.28 0.74 -1.64 0.00 0.00 178.16 176.83 1s63 h PHE 415 N -0.28 0.00 0.00 -3.82 -1.00 -1.06 -2.71 116.94 108.07 1s63 h PHE 415 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1s63 h PHE 415 Cb 0.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1s63 h PHE 415 CO -0.06 0.28 0.00 -0.07 -1.61 0.00 0.00 178.31 176.85 1s63 h LEU 416 N 0.00 0.00 -0.10 1.54 3.38 -0.87 -1.19 115.31 118.07 1s63 h LEU 416 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s63 h LEU 416 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1s63 h LEU 416 CO 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.50 1s63 n GLN 417 N -2.59 0.52 -4.12 1.13 6.02 -1.02 -4.80 117.38 112.51 1s63 n GLN 417 Ca 0.00 -0.10 -0.27 0.00 -0.01 0.00 0.00 57.00 56.62 1s63 n GLN 417 Cb 0.18 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 1s63 n GLN 417 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1s63 s LYS 418 N -2.55 2.71 0.57 -1.09 1.02 -0.45 -5.12 119.74 114.84 1s63 s LYS 418 Ca 0.28 -0.93 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 1s63 s LYS 418 Cb 0.20 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1s63 s LYS 418 CO 0.48 0.49 0.97 -1.25 -0.92 0.00 0.00 175.35 175.11 1s63 s PRO 419 N -2.94 3.64 0.03 -1.68 0.04 -1.26 -5.00 135.00 127.83 1s63 s PRO 419 Ca 0.29 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1s63 s PRO 419 Cb -0.10 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1s63 s PRO 419 CO 0.21 -0.45 1.43 0.08 0.04 0.00 0.00 177.00 178.32 1s63 s VAL 420 N -3.00 3.56 -0.44 -0.36 1.01 -1.26 -4.86 120.40 115.04 1s63 s VAL 420 Ca 0.54 0.99 -0.41 0.00 0.00 0.00 0.00 61.98 63.09 1s63 s VAL 420 Cb -0.11 -3.63 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 1s63 s VAL 420 CO 0.49 0.01 2.09 -2.65 0.00 0.00 0.00 175.10 175.04 1s63 n PRO 421 N 5.19 0.39 -1.73 2.72 -0.02 -1.26 -1.40 135.00 138.88 1s63 n PRO 421 Ca 0.13 0.11 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1s63 n PRO 421 Cb 0.43 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1s63 n PRO 421 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s63 n GLY 422 N 6.77 1.24 2.95 -1.23 0.00 -1.26 -4.97 105.19 108.68 1s63 n GLY 422 Ca 0.47 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 1s63 n GLY 422 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s63 s PHE 423 N -2.74 0.48 0.00 1.61 5.36 -0.49 -5.26 117.98 116.94 1s63 s PHE 423 Ca 0.00 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1s63 s PHE 423 Cb 0.00 -0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.35 1s63 s PHE 423 CO 0.00 -0.02 0.17 -1.91 -1.46 0.00 0.00 175.22 171.99