#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h45 h ARG 3 N 0.00 1.12 0.00 2.89 3.08 -2.05 -3.04 114.38 116.37 1h45 h ARG 3 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1h45 h ARG 3 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1h45 h ARG 3 CO 0.00 0.79 0.00 0.54 -1.07 0.00 0.00 179.97 180.23 1h45 n ARG 4 N -4.44 0.34 -3.23 0.04 5.12 -1.26 -4.79 116.66 108.44 1h45 n ARG 4 Ca 0.08 0.07 -0.37 0.00 -1.93 0.00 0.00 57.85 55.70 1h45 n ARG 4 Cb 0.06 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 1h45 n ARG 4 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1h45 s SER 5 N -2.54 7.02 -0.22 0.55 0.01 -1.15 -4.89 113.70 112.47 1h45 s SER 5 Ca 0.22 1.28 -0.28 0.00 1.31 0.00 0.00 55.95 58.49 1h45 s SER 5 Cb 0.15 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1h45 s SER 5 CO 0.34 0.16 0.97 -0.69 0.41 0.00 0.00 173.24 174.43 1h45 s VAL 6 N -1.33 4.73 -0.52 3.43 1.01 -1.09 -4.85 120.40 121.78 1h45 s VAL 6 Ca 0.36 1.89 -0.21 0.00 0.00 0.00 0.00 61.98 64.02 1h45 s VAL 6 Cb -0.18 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1h45 s VAL 6 CO 0.20 -0.13 0.73 -1.58 0.00 0.00 0.00 175.10 174.31 1h45 s GLN 7 N 3.01 3.19 0.22 2.72 2.00 -1.26 -0.52 119.66 129.02 1h45 s GLN 7 Ca 0.42 -0.69 -0.17 0.00 -2.00 0.00 0.00 55.36 52.92 1h45 s GLN 7 Cb -0.15 -4.08 -0.08 0.00 0.80 0.00 0.00 33.01 29.49 1h45 s GLN 7 CO 0.07 -1.31 0.68 -0.46 -0.50 0.00 0.00 175.29 173.77 1h45 s TRP 8 N 3.06 3.58 -0.20 1.67 -0.11 0.45 0.71 118.94 128.09 1h45 s TRP 8 Ca 0.20 1.26 -0.05 0.00 1.22 0.00 0.00 56.10 58.73 1h45 s TRP 8 Cb -0.17 -2.53 -0.02 0.00 -1.50 0.00 0.00 33.47 29.25 1h45 s TRP 8 CO 0.14 0.31 0.00 0.00 -4.62 0.00 0.00 176.95 172.78 1h45 s ALA 10 N 1.04 3.95 -1.59 0.00 0.00 0.58 -4.77 121.76 120.98 1h45 s ALA 10 Ca 0.02 -0.79 0.17 0.00 0.00 0.00 0.00 51.96 51.36 1h45 s ALA 10 Cb -0.14 -1.85 0.42 0.00 0.00 0.00 0.00 23.12 21.55 1h45 s ALA 10 CO 0.02 0.77 1.34 1.33 0.00 0.00 0.00 175.76 179.22 1h45 n VAL 11 N 0.77 0.83 -3.81 0.00 0.24 -1.26 -0.21 118.33 114.88 1h45 n VAL 11 Ca -0.09 -0.91 -0.08 0.00 -2.04 0.00 0.00 64.34 61.22 1h45 n VAL 11 Cb 0.52 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 1h45 n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1h45 s SER 12 N -1.08 -0.29 0.12 -1.34 1.04 -1.18 -3.97 113.70 107.01 1h45 s SER 12 Ca 0.34 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 1h45 s SER 12 Cb 0.18 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 1h45 s SER 12 CO 0.24 -1.29 1.49 -0.61 0.98 0.00 0.00 173.24 174.05 1h45 h GLN 13 N 2.02 0.81 -0.76 4.02 5.75 -1.94 -1.81 115.11 123.20 1h45 h GLN 13 Ca -0.21 -0.36 0.03 0.00 -0.15 0.00 0.00 58.65 57.96 1h45 h GLN 13 Cb 1.26 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 1h45 h GLN 13 CO 0.26 0.99 0.50 -1.35 -2.65 0.00 0.00 178.83 176.58 1h45 h PRO 14 N 0.60 0.90 -0.39 -2.39 0.11 -1.99 0.14 132.00 128.98 1h45 h PRO 14 Ca 0.08 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 1h45 h PRO 14 Cb 0.76 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1h45 h PRO 14 CO 0.06 0.60 -0.29 0.93 -0.21 0.00 0.00 178.00 179.08 1h45 h GLU 15 N 0.93 0.89 -0.59 1.05 5.08 -1.93 -1.62 114.58 118.39 1h45 h GLU 15 Ca 0.30 -0.44 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1h45 h GLU 15 Cb 0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1h45 h GLU 15 CO -0.08 1.09 0.38 0.00 -1.00 0.00 0.00 179.01 179.39 1h45 h ALA 16 N 0.79 0.76 -0.83 3.43 0.00 -0.38 0.17 119.26 123.20 1h45 h ALA 16 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1h45 h ALA 16 Cb 0.88 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1h45 h ALA 16 CO 0.08 0.13 0.45 1.15 0.00 0.00 0.00 179.25 181.06 1h45 h THR 17 N 0.75 1.24 -0.42 0.00 2.02 -0.59 -0.18 112.91 115.74 1h45 h THR 17 Ca 0.23 -0.61 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 1h45 h THR 17 Cb -0.02 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1h45 h THR 17 CO -0.08 0.27 -0.31 0.50 0.37 0.00 0.00 175.52 176.28 1h45 h LYS 18 N 1.16 0.96 -0.31 6.66 3.64 -0.41 -2.24 116.57 126.03 1h45 h LYS 18 Ca 0.29 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1h45 h LYS 18 Cb 0.03 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1h45 h LYS 18 CO -0.05 1.13 0.20 0.00 -2.27 0.00 0.00 179.45 178.46 1h45 h PHE 20 N 0.42 0.74 -0.20 0.00 0.04 -0.98 0.25 116.94 117.22 1h45 h PHE 20 Ca 0.11 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 1h45 h PHE 20 Cb -0.04 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 1h45 h PHE 20 CO -0.05 0.52 -0.34 1.96 -0.60 0.00 0.00 178.31 179.80 1h45 h GLN 21 N 0.77 0.41 -0.30 1.51 4.20 -0.72 -1.90 115.11 119.09 1h45 h GLN 21 Ca 0.20 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1h45 h GLN 21 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1h45 h GLN 21 CO -0.03 0.70 0.06 2.35 -0.67 0.00 0.00 178.83 181.24 1h45 h TRP 22 N 0.35 0.51 -0.14 2.96 7.01 0.12 -2.05 115.95 124.71 1h45 h TRP 22 Ca 0.04 -0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1h45 h TRP 22 Cb 0.76 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1h45 h TRP 22 CO 0.02 0.56 -0.06 0.37 -2.79 0.00 0.00 178.44 176.54 1h45 h GLN 23 N 0.31 -0.05 -0.01 2.65 4.15 -0.23 -0.53 115.11 121.41 1h45 h GLN 23 Ca 0.09 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1h45 h GLN 23 Cb 0.32 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1h45 h GLN 23 CO 0.00 -0.03 -0.45 0.07 -1.93 0.00 0.00 178.83 176.49 1h45 h ARG 24 N -0.05 0.03 -0.15 1.69 0.11 -1.30 -2.07 114.38 112.63 1h45 h ARG 24 Ca 0.08 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 59.93 1h45 h ARG 24 Cb 0.16 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.25 1h45 h ARG 24 CO -0.17 0.47 -0.77 -0.91 0.10 0.00 0.00 179.97 178.68 1h45 h ASN 25 N 0.02 0.89 -0.82 0.08 2.35 -1.05 -0.60 115.58 116.45 1h45 h ASN 25 Ca -0.00 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.14 1h45 h ASN 25 Cb 0.80 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1h45 h ASN 25 CO 0.06 1.38 0.40 0.24 -1.65 0.00 0.00 177.43 177.86 1h45 h MET 26 N 0.51 1.18 -0.59 0.81 2.86 -0.97 -2.17 114.93 116.56 1h45 h MET 26 Ca -0.05 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1h45 h MET 26 Cb 1.39 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1h45 h MET 26 CO 0.16 0.91 0.23 0.00 1.06 0.00 0.00 176.91 179.27 1h45 h ARG 27 N 1.17 0.88 -0.84 1.72 3.08 -1.24 0.13 114.38 119.28 1h45 h ARG 27 Ca 0.28 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1h45 h ARG 27 Cb 0.11 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1h45 h ARG 27 CO -0.04 0.76 0.53 -0.09 -1.07 0.00 0.00 179.97 180.06 1h45 h ARG 28 N 0.82 1.13 -0.41 0.04 2.43 -0.68 -2.35 114.38 115.35 1h45 h ARG 28 Ca 0.20 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1h45 h ARG 28 Cb 0.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1h45 h ARG 28 CO -0.02 0.77 0.00 1.33 -1.51 0.00 0.00 179.97 180.55 1h45 n VAL 29 N -4.46 0.58 -3.77 0.20 0.24 -0.86 -4.93 118.33 105.33 1h45 n VAL 29 Ca 0.09 -0.52 -0.25 0.00 -2.04 0.00 0.00 64.34 61.62 1h45 n VAL 29 Cb 0.04 0.19 0.04 0.00 -1.47 0.00 0.00 33.84 32.64 1h45 n VAL 29 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1h45 n ARG 30 N 0.57 -5.53 -2.50 7.34 3.00 -0.85 -5.00 116.66 113.68 1h45 n ARG 30 Ca 0.13 0.64 -0.13 0.00 -0.01 0.00 0.00 57.85 58.47 1h45 n ARG 30 Cb 0.35 -5.40 0.02 0.00 0.00 0.00 0.00 32.46 27.43 1h45 n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h45 n GLY 31 N -1.65 2.35 3.66 -0.13 0.00 -0.02 -5.04 105.19 104.36 1h45 n GLY 31 Ca -0.12 -2.21 -0.45 0.00 0.00 0.00 0.00 46.02 43.23 1h45 n GLY 31 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h45 n PRO 32 N -1.55 1.88 -2.68 1.61 -0.02 -1.26 -4.67 135.00 128.30 1h45 n PRO 32 Ca 0.05 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 1h45 n PRO 32 Cb 0.37 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1h45 n PRO 32 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1h45 s PRO 33 N -0.80 4.73 -0.01 0.52 0.04 -1.26 -4.81 135.00 133.42 1h45 s PRO 33 Ca 0.65 1.54 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1h45 s PRO 33 Cb -0.66 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 1h45 s PRO 33 CO 0.53 0.38 -0.08 0.54 0.04 0.00 0.00 177.00 178.41 1h45 s VAL 34 N -1.26 0.68 0.41 -0.36 0.11 -1.26 -2.67 120.40 116.04 1h45 s VAL 34 Ca 0.44 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 59.20 1h45 s VAL 34 Cb -0.26 -0.58 -0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1h45 s VAL 34 CO 0.33 0.20 0.03 -0.94 -3.33 0.00 0.00 175.10 171.38 1h45 s SER 35 N -0.12 3.94 -0.02 3.54 1.04 0.32 -4.51 113.70 117.89 1h45 s SER 35 Ca 0.02 -1.34 0.05 0.00 0.48 0.00 0.00 55.95 55.16 1h45 s SER 35 Cb -0.04 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 1h45 s SER 35 CO -0.00 -0.46 -0.17 0.00 0.98 0.00 0.00 173.24 173.59 1h45 s ILE 37 N -0.26 1.49 -0.16 0.00 -1.09 0.84 -4.92 121.20 117.12 1h45 s ILE 37 Ca 0.03 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 57.70 1h45 s ILE 37 Cb -0.08 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.47 1h45 s ILE 37 CO 0.00 0.43 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.35 1h45 s LYS 38 N 0.30 3.62 0.12 2.79 2.36 -1.26 -0.31 119.74 127.36 1h45 s LYS 38 Ca -0.11 -0.55 0.01 0.00 -2.55 0.00 0.00 55.97 52.78 1h45 s LYS 38 Cb -0.14 -2.89 -0.01 0.00 -1.05 0.00 0.00 37.83 33.74 1h45 s LYS 38 CO 0.04 0.20 0.05 0.54 1.55 0.00 0.00 175.35 177.74 1h45 n ARG 39 N 3.63 0.68 0.00 4.03 5.12 0.71 -4.94 116.66 125.89 1h45 n ARG 39 Ca -0.17 -1.06 0.00 0.00 -1.93 0.00 0.00 57.85 54.69 1h45 n ARG 39 Cb 0.52 0.64 0.00 0.00 -1.16 0.00 0.00 32.46 32.46 1h45 n ARG 39 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1h45 n ASP 40 N -2.04 0.95 -3.50 0.55 8.00 -1.26 -3.08 116.55 116.17 1h45 n ASP 40 Ca -0.01 -0.98 -0.10 0.00 0.71 0.00 0.00 54.79 54.41 1h45 n ASP 40 Cb 0.19 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 1h45 n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h45 s SER 41 N -0.15 -0.45 0.31 -2.24 1.04 -1.25 -4.81 113.70 106.14 1h45 s SER 41 Ca 0.01 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1h45 s SER 41 Cb 0.01 0.53 0.56 0.00 0.10 0.00 0.00 66.02 67.21 1h45 s SER 41 CO 0.01 -0.87 1.91 1.55 0.98 0.00 0.00 173.24 176.82 1h45 h PRO 42 N 2.00 0.96 -0.83 4.02 0.13 -1.94 -1.95 132.00 134.39 1h45 h PRO 42 Ca -0.28 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1h45 h PRO 42 Cb 1.28 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1h45 h PRO 42 CO 0.34 0.64 0.50 0.82 -0.23 0.00 0.00 178.00 180.06 1h45 h ILE 43 N 0.99 1.23 -0.11 -3.56 1.08 -1.98 0.35 117.51 115.51 1h45 h ILE 43 Ca 0.39 -0.52 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1h45 h ILE 43 Cb 0.24 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1h45 h ILE 43 CO -0.15 0.25 -0.38 1.56 -0.69 0.00 0.00 178.15 178.74 1h45 h GLN 44 N 1.14 0.22 -0.09 2.37 4.20 -1.78 -0.35 115.11 120.82 1h45 h GLN 44 Ca 0.30 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.73 1h45 h GLN 44 Cb -0.04 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1h45 h GLN 44 CO -0.06 0.57 -0.66 0.00 -0.67 0.00 0.00 178.83 178.02 1h45 h ILE 46 N 0.25 1.05 0.16 0.00 2.04 -0.13 -1.01 117.51 119.87 1h45 h ILE 46 Ca -0.06 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1h45 h ILE 46 Cb 1.31 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1h45 h ILE 46 CO 0.13 0.08 -0.08 1.56 0.00 0.00 0.00 178.15 179.84 1h45 h GLN 47 N 0.41 -0.21 -0.97 2.37 4.20 -1.07 -1.68 115.11 118.17 1h45 h GLN 47 Ca 0.13 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.07 1h45 h GLN 47 Cb -0.01 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.73 1h45 h GLN 47 CO -0.06 0.00 0.62 0.00 -0.67 0.00 0.00 178.83 178.73 1h45 h ALA 48 N 0.43 2.02 -0.05 3.87 0.00 -0.75 0.55 119.26 125.32 1h45 h ALA 48 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1h45 h ALA 48 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h45 h ALA 48 CO 0.04 -0.37 -0.25 0.82 0.00 0.00 0.00 179.25 179.49 1h45 h ILE 49 N 0.53 1.45 -0.17 0.00 2.04 -0.98 0.34 117.51 120.72 1h45 h ILE 49 Ca 0.54 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.75 1h45 h ILE 49 Cb 1.15 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1h45 h ILE 49 CO -0.27 0.48 0.12 0.00 0.00 0.00 0.00 178.15 178.47 1h45 h ALA 50 N 0.41 2.14 -0.39 1.87 0.00 -0.24 -0.08 119.26 122.98 1h45 h ALA 50 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h45 h ALA 50 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1h45 h ALA 50 CO 0.05 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.49 1h45 n GLU 51 N -4.46 3.62 -2.82 0.00 1.02 0.06 -4.93 120.64 113.13 1h45 n GLU 51 Ca 0.01 -2.11 -0.17 0.00 -0.02 0.00 0.00 57.16 54.86 1h45 n GLU 51 Cb 0.25 -2.02 -0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1h45 n GLU 51 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1h45 n ASN 52 N 0.42 -4.13 -0.00 1.62 3.02 -0.04 -4.81 115.26 111.34 1h45 n ASN 52 Ca 0.19 -0.06 0.09 0.00 -0.03 0.00 0.00 54.58 54.76 1h45 n ASN 52 Cb 0.89 -3.45 -0.11 0.00 -0.61 0.00 0.00 39.78 36.49 1h45 n ASN 52 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1h45 n ARG 53 N -3.26 0.71 -3.97 3.52 1.74 0.12 -4.98 116.66 110.53 1h45 n ARG 53 Ca -0.10 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 1h45 n ARG 53 Cb 0.59 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 30.58 1h45 n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h45 s ALA 54 N -2.84 -0.40 -0.02 7.54 0.00 -1.05 -4.92 121.76 120.06 1h45 s ALA 54 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1h45 s ALA 54 Cb 0.14 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.27 1h45 s ALA 54 CO 0.78 -0.88 -0.00 -0.25 0.00 0.00 0.00 175.76 175.41 1h45 n ASP 55 N -0.39 4.25 -3.85 0.00 8.00 0.22 -4.30 116.55 120.48 1h45 n ASP 55 Ca -0.02 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.38 1h45 n ASP 55 Cb 0.61 0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 1h45 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h45 s ALA 56 N -2.05 -0.26 -0.21 2.24 0.00 -0.99 -4.43 121.76 116.06 1h45 s ALA 56 Ca -0.02 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 1h45 s ALA 56 Cb 0.01 0.47 0.09 0.00 0.00 0.00 0.00 23.12 23.69 1h45 s ALA 56 CO 0.07 -0.50 0.84 0.54 0.00 0.00 0.00 175.76 176.71 1h45 s VAL 57 N -3.72 0.00 -0.10 0.00 0.11 -1.21 -1.27 120.40 114.20 1h45 s VAL 57 Ca 0.04 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 1h45 s VAL 57 Cb 0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1h45 s VAL 57 CO -0.10 0.00 0.44 -0.89 -3.33 0.00 0.00 175.10 171.22 1h45 s THR 58 N -0.23 5.16 0.08 5.04 2.01 -1.26 -0.72 115.64 125.72 1h45 s THR 58 Ca -0.02 0.89 0.05 0.00 0.31 0.00 0.00 61.69 62.92 1h45 s THR 58 Cb -0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1h45 s THR 58 CO 0.01 0.39 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.44 1h45 s LEU 59 N 0.23 2.31 0.70 4.42 1.43 0.75 -4.91 118.68 123.61 1h45 s LEU 59 Ca 0.24 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 1h45 s LEU 59 Cb -0.15 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1h45 s LEU 59 CO 0.10 -0.11 1.09 -0.62 0.23 0.00 0.00 176.35 177.03 1h45 s ASP 60 N -1.90 5.02 0.30 2.29 2.15 -1.26 -1.62 116.67 121.66 1h45 s ASP 60 Ca -0.00 1.84 0.05 0.00 0.43 0.00 0.00 52.55 54.86 1h45 s ASP 60 Cb -0.09 -2.53 0.77 0.00 -0.30 0.00 0.00 42.92 40.78 1h45 s ASP 60 CO 0.02 -1.68 1.67 1.23 -0.17 0.00 0.00 175.17 176.24 1h45 h GLY 61 N -0.48 1.55 1.29 2.66 0.00 -1.85 -0.17 103.07 106.07 1h45 h GLY 61 Ca -0.45 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 46.78 1h45 h GLY 61 CO 0.54 -0.33 0.40 -1.33 0.00 0.00 0.00 176.54 175.82 1h45 h GLY 62 N 0.32 0.80 0.94 4.60 0.00 -1.89 -1.90 103.07 105.94 1h45 h GLY 62 Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1h45 h GLY 62 CO -0.58 0.24 -0.84 0.69 0.00 0.00 0.00 176.54 176.05 1h45 n PHE 63 N -4.47 0.54 -0.17 5.60 3.72 -0.18 -2.65 117.46 119.86 1h45 n PHE 63 Ca 0.07 0.16 -0.11 0.00 -0.05 0.00 0.00 57.45 57.52 1h45 n PHE 63 Cb 0.14 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1h45 n PHE 63 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1h45 h ILE 64 N 0.00 1.27 0.29 4.37 2.04 -0.70 0.17 117.51 124.95 1h45 h ILE 64 Ca 0.00 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1h45 h ILE 64 Cb 0.79 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1h45 h ILE 64 CO 0.00 0.43 -0.15 0.22 0.00 0.00 0.00 178.15 178.65 1h45 h TYR 65 N 0.79 -0.40 -0.41 1.37 3.20 -1.36 -2.20 116.97 117.97 1h45 h TYR 65 Ca 0.12 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1h45 h TYR 65 Cb 0.67 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1h45 h TYR 65 CO 0.05 -0.24 0.02 1.49 -1.64 0.00 0.00 178.16 177.84 1h45 h GLU 66 N -0.41 0.13 0.00 1.82 4.57 -1.26 -1.97 114.58 117.46 1h45 h GLU 66 Ca -0.04 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1h45 h GLU 66 Cb 0.33 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1h45 h GLU 66 CO 0.05 0.08 -0.05 0.00 -1.18 0.00 0.00 179.01 177.92 1h45 h ALA 67 N 1.35 1.26 0.00 2.92 0.00 -0.48 -2.57 119.26 121.73 1h45 h ALA 67 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h45 h ALA 67 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h45 h ALA 67 CO -0.32 0.06 -0.07 0.41 0.00 0.00 0.00 179.25 179.33 1h45 n GLY 68 N -0.88 -1.60 3.94 0.00 0.00 -0.74 -0.44 105.19 105.46 1h45 n GLY 68 Ca -0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1h45 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h45 s LEU 69 N -3.99 2.77 0.45 0.99 1.43 -0.97 -3.96 118.68 115.39 1h45 s LEU 69 Ca 0.11 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 1h45 s LEU 69 Cb 0.15 -2.76 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 1h45 s LEU 69 CO 0.59 -1.98 0.88 0.00 0.23 0.00 0.00 176.35 176.07 1h45 s ALA 70 N -3.45 3.19 -0.76 4.21 0.00 -1.26 -0.40 121.76 123.29 1h45 s ALA 70 Ca 0.65 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 1h45 s ALA 70 Cb -0.08 -2.93 0.24 0.00 0.00 0.00 0.00 23.12 20.34 1h45 s ALA 70 CO 0.47 -0.06 2.28 -0.35 0.00 0.00 0.00 175.76 178.10 1h45 n PRO 71 N -1.27 2.98 -0.02 0.00 -0.04 -1.26 -4.90 135.00 130.49 1h45 n PRO 71 Ca 0.05 -3.23 -0.05 0.00 -0.04 0.00 0.00 63.50 60.23 1h45 n PRO 71 Cb 0.54 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 1h45 n PRO 71 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h45 n TYR 72 N 0.10 0.00 -3.90 0.54 4.01 -0.45 -4.99 117.16 112.47 1h45 n TYR 72 Ca 0.52 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.88 1h45 n TYR 72 Cb 0.34 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 1h45 n TYR 72 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1h45 n LYS 73 N -3.36 -0.74 -3.95 -0.72 5.02 0.47 -4.78 118.16 110.09 1h45 n LYS 73 Ca -0.09 0.33 -0.27 0.00 -2.02 0.00 0.00 58.31 56.26 1h45 n LYS 73 Cb 0.47 -2.96 -0.04 0.00 -0.02 0.00 0.00 35.03 32.48 1h45 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h45 s LEU 74 N -6.67 4.28 0.11 -0.35 1.43 0.41 -2.93 118.68 114.96 1h45 s LEU 74 Ca 0.39 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 1h45 s LEU 74 Cb -0.19 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 1h45 s LEU 74 CO 0.93 0.08 -0.15 0.00 0.23 0.00 0.00 176.35 177.44 1h45 s ARG 75 N -3.05 0.99 0.12 1.70 1.70 -0.15 -3.86 118.95 116.41 1h45 s ARG 75 Ca 0.34 -1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1h45 s ARG 75 Cb -0.11 -0.94 -0.07 0.00 -0.57 0.00 0.00 34.95 33.25 1h45 s ARG 75 CO 0.28 0.19 1.24 -1.25 -1.08 0.00 0.00 175.30 174.68 1h45 s PRO 76 N -2.39 4.43 -0.07 3.89 0.04 -1.26 -1.24 135.00 138.40 1h45 s PRO 76 Ca 0.06 1.88 0.10 0.00 0.04 0.00 0.00 61.00 63.08 1h45 s PRO 76 Cb -0.07 -3.28 -0.14 0.00 0.04 0.00 0.00 34.50 31.05 1h45 s PRO 76 CO 0.03 -0.24 0.11 1.33 0.04 0.00 0.00 177.00 178.28 1h45 n VAL 77 N 3.38 0.44 -3.70 -0.36 0.24 0.45 -4.75 118.33 114.02 1h45 n VAL 77 Ca 0.08 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 61.90 1h45 n VAL 77 Cb 0.45 -0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 32.35 1h45 n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h45 s ALA 78 N -2.44 -1.07 0.06 2.33 0.00 -1.21 -0.66 121.76 118.78 1h45 s ALA 78 Ca -0.05 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1h45 s ALA 78 Cb 0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1h45 s ALA 78 CO 0.43 -0.25 0.20 0.00 0.00 0.00 0.00 175.76 176.15 1h45 s ALA 79 N 1.15 3.99 0.44 0.00 0.00 -0.26 -0.06 121.76 127.02 1h45 s ALA 79 Ca -0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 1h45 s ALA 79 Cb -0.07 -1.81 -0.09 0.00 0.00 0.00 0.00 23.12 21.14 1h45 s ALA 79 CO -0.10 0.82 1.02 -1.21 0.00 0.00 0.00 175.76 176.29 1h45 s GLU 80 N -2.51 4.02 -0.12 0.00 2.02 -0.30 -1.19 118.70 120.62 1h45 s GLU 80 Ca 0.35 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.66 1h45 s GLU 80 Cb -0.13 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1h45 s GLU 80 CO 0.28 -0.24 -0.07 0.08 0.02 0.00 0.00 175.26 175.33 1h45 s VAL 81 N -1.93 3.65 0.05 2.63 1.01 0.66 -4.61 120.40 121.86 1h45 s VAL 81 Ca 0.63 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1h45 s VAL 81 Cb -0.16 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1h45 s VAL 81 CO 0.20 0.53 0.02 -1.22 0.00 0.00 0.00 175.10 174.63 1h45 n TYR 82 N 3.12 -0.56 -3.87 5.22 4.01 0.80 -0.23 117.16 125.65 1h45 n TYR 82 Ca -0.18 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1h45 n TYR 82 Cb 0.53 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1h45 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h45 n GLY 83 N 4.35 0.34 3.46 2.72 0.00 -1.26 -1.57 105.19 113.23 1h45 n GLY 83 Ca -0.01 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 1h45 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h45 s THR 84 N 0.00 1.81 0.46 2.61 -4.23 -0.78 -4.91 115.64 110.60 1h45 s THR 84 Ca 0.00 -2.15 0.19 0.00 -1.18 0.00 0.00 61.69 58.55 1h45 s THR 84 Cb 0.00 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.55 1h45 s THR 84 CO 0.00 -0.27 2.04 -0.33 -0.54 0.00 0.00 174.62 175.53 1h45 h GLU 85 N 2.20 0.00 0.00 3.99 5.08 -1.96 0.30 114.58 124.19 1h45 h GLU 85 Ca -0.41 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.83 1h45 h GLU 85 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1h45 h GLU 85 CO 0.68 0.14 -0.69 0.00 -1.00 0.00 0.00 179.01 178.14 1h45 h ARG 86 N 0.00 0.00 -1.86 2.33 3.08 -1.98 -3.38 114.38 112.56 1h45 h ARG 86 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1h45 h ARG 86 Cb 0.28 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.97 1h45 h ARG 86 CO 0.02 0.50 -1.04 0.94 -1.07 0.00 0.00 179.97 179.33 1h45 n GLN 87 N -3.18 0.65 -2.37 0.04 -0.06 -0.42 -5.13 117.38 106.91 1h45 n GLN 87 Ca -0.00 -3.08 -0.32 0.00 -2.00 0.00 0.00 57.00 51.61 1h45 n GLN 87 Cb 0.77 -1.29 -0.03 0.00 -4.06 0.00 0.00 30.24 25.63 1h45 n GLN 87 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1h45 s PRO 88 N -0.85 3.86 -0.07 3.69 0.04 0.93 -1.87 135.00 140.73 1h45 s PRO 88 Ca 0.34 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 1h45 s PRO 88 Cb 0.16 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1h45 s PRO 88 CO -0.13 -0.29 0.42 -0.98 0.04 0.00 0.00 177.00 176.06 1h45 s ARG 89 N -4.25 0.69 -0.63 4.56 1.70 -0.61 -4.93 118.95 115.49 1h45 s ARG 89 Ca 0.57 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.98 1h45 s ARG 89 Cb -0.10 0.32 0.43 0.00 -0.57 0.00 0.00 34.95 35.02 1h45 s ARG 89 CO 0.36 -0.17 1.83 0.25 -1.08 0.00 0.00 175.30 176.48 1h45 n THR 90 N 1.72 3.35 -3.45 4.99 -2.24 -1.26 -0.14 114.28 117.24 1h45 n THR 90 Ca -0.18 -3.58 -0.12 0.00 -2.27 0.00 0.00 64.05 57.89 1h45 n THR 90 Cb 0.56 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 1h45 n THR 90 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1h45 s HIS 91 N -3.82 -0.52 0.14 4.78 0.00 -1.26 -2.04 115.29 112.56 1h45 s HIS 91 Ca 0.59 0.42 0.02 0.00 -3.00 0.00 0.00 55.06 53.09 1h45 s HIS 91 Cb 0.47 0.53 -0.01 0.00 -4.00 0.00 0.00 32.58 29.58 1h45 s HIS 91 CO -0.10 -0.76 0.08 2.48 -1.00 0.00 0.00 174.74 175.44 1h45 n TYR 92 N -0.17 -0.13 -5.11 0.38 4.11 0.15 -4.81 117.16 111.58 1h45 n TYR 92 Ca -0.16 -1.06 -0.30 0.00 -0.00 0.00 0.00 57.90 56.38 1h45 n TYR 92 Cb 0.63 0.05 -0.16 0.00 -0.00 0.00 0.00 39.34 39.86 1h45 n TYR 92 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1h45 s TYR 93 N -2.33 2.20 -0.27 -3.48 1.51 -1.26 -0.65 117.35 113.07 1h45 s TYR 93 Ca 0.12 -0.68 -0.22 0.00 -1.01 0.00 0.00 57.07 55.27 1h45 s TYR 93 Cb 0.01 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1h45 s TYR 93 CO 0.08 -0.23 0.72 0.00 -1.11 0.00 0.00 175.55 175.02 1h45 s ALA 94 N -0.03 3.59 0.39 3.71 0.00 -0.26 -1.48 121.76 127.68 1h45 s ALA 94 Ca -0.06 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1h45 s ALA 94 Cb -0.14 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1h45 s ALA 94 CO 0.04 -0.97 0.03 0.14 0.00 0.00 0.00 175.76 175.00 1h45 s VAL 95 N 2.72 1.68 -0.33 0.00 -7.23 0.11 -0.84 120.40 116.50 1h45 s VAL 95 Ca 0.30 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1h45 s VAL 95 Cb -0.15 -2.89 0.09 0.00 0.56 0.00 0.00 36.38 34.00 1h45 s VAL 95 CO 0.10 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.92 1h45 s ALA 96 N -2.92 2.77 -0.09 1.32 0.00 -1.26 -2.39 121.76 119.19 1h45 s ALA 96 Ca 0.34 -2.38 -0.15 0.00 0.00 0.00 0.00 51.96 49.77 1h45 s ALA 96 Cb 0.09 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1h45 s ALA 96 CO 0.16 -1.62 0.38 0.08 0.00 0.00 0.00 175.76 174.77 1h45 s VAL 97 N 0.97 5.18 0.25 0.00 1.01 -0.32 -0.79 120.40 126.70 1h45 s VAL 97 Ca 0.08 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1h45 s VAL 97 Cb -0.19 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1h45 s VAL 97 CO -0.08 0.44 0.11 0.68 0.00 0.00 0.00 175.10 176.25 1h45 s VAL 98 N -0.08 0.36 0.08 2.92 -7.23 -0.50 -1.00 120.40 114.95 1h45 s VAL 98 Ca 0.22 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.16 1h45 s VAL 98 Cb -0.15 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 1h45 s VAL 98 CO 0.09 0.00 0.70 -0.54 -0.31 0.00 0.00 175.10 175.04 1h45 s LYS 99 N -4.05 4.43 0.54 4.82 1.02 -1.26 -1.66 119.74 123.58 1h45 s LYS 99 Ca 0.38 0.97 -0.21 0.00 0.02 0.00 0.00 55.97 57.13 1h45 s LYS 99 Cb 0.07 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1h45 s LYS 99 CO 0.14 0.45 1.24 0.21 -0.92 0.00 0.00 175.35 176.46 1h45 s LYS 100 N -0.59 3.27 0.00 1.68 2.20 0.16 -3.52 119.74 122.94 1h45 s LYS 100 Ca 0.35 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1h45 s LYS 100 Cb -0.21 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1h45 s LYS 100 CO 0.22 -0.99 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 1h45 n GLY 101 N 0.55 2.13 3.91 5.54 0.00 -1.26 -4.96 105.19 111.10 1h45 n GLY 101 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1h45 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h45 s GLY 102 N -2.09 1.60 -0.00 -0.02 0.00 -1.23 -5.02 107.32 100.56 1h45 s GLY 102 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 44.72 44.18 1h45 s GLY 102 CO 0.00 -0.33 0.25 -1.14 0.00 0.00 0.00 173.10 171.89 1h45 n SER 103 N -2.63 1.39 -4.76 1.64 3.41 -1.26 -5.03 113.62 106.37 1h45 n SER 103 Ca 0.05 -0.43 -0.38 0.00 -0.26 0.00 0.00 58.87 57.85 1h45 n SER 103 Cb 0.57 1.12 0.01 0.00 -0.26 0.00 0.00 64.21 65.66 1h45 n SER 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h45 s PHE 104 N -1.98 2.61 0.47 7.33 -0.12 -1.26 -5.04 117.98 120.00 1h45 s PHE 104 Ca 0.01 1.45 0.03 0.00 -0.05 0.00 0.00 56.93 58.37 1h45 s PHE 104 Cb 0.05 -3.60 0.03 0.00 -0.63 0.00 0.00 43.02 38.87 1h45 s PHE 104 CO 0.30 -2.19 0.27 1.04 -0.05 0.00 0.00 175.22 174.59 1h45 n GLN 105 N -0.63 0.82 0.18 1.99 1.13 -1.26 -4.99 117.38 114.61 1h45 n GLN 105 Ca 0.08 -3.05 0.11 0.00 -1.94 0.00 0.00 57.00 52.21 1h45 n GLN 105 Cb 0.46 0.45 0.64 0.00 0.11 0.00 0.00 30.24 31.90 1h45 n GLN 105 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1h45 h LEU 106 N 0.00 0.02 -0.93 1.08 5.85 -1.89 -0.56 115.31 118.88 1h45 h LEU 106 Ca -0.32 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1h45 h LEU 106 Cb 1.11 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1h45 h LEU 106 CO 0.51 0.02 0.00 -0.46 -0.34 0.00 0.00 178.44 178.16 1h45 n ASN 107 N -4.49 1.37 -2.41 1.25 2.04 -1.26 -4.10 115.26 107.66 1h45 n ASN 107 Ca 0.01 -1.82 -0.20 0.00 -0.44 0.00 0.00 54.58 52.13 1h45 n ASN 107 Cb 0.23 -0.13 0.02 0.00 -2.53 0.00 0.00 39.78 37.37 1h45 n ASN 107 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1h45 n GLU 108 N 0.18 2.94 0.00 -3.83 1.02 -0.22 -4.81 120.64 115.92 1h45 n GLU 108 Ca 0.13 -4.09 0.11 0.00 -0.02 0.00 0.00 57.16 53.29 1h45 n GLU 108 Cb 0.25 -2.03 0.06 0.00 -0.02 0.00 0.00 31.44 29.70 1h45 n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1h45 n LEU 109 N -0.50 1.94 -4.71 -4.62 4.77 -1.26 -4.64 117.00 107.99 1h45 n LEU 109 Ca 0.32 -0.70 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 1h45 n LEU 109 Cb 0.80 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 1h45 n LEU 109 CO 0.31 0.36 1.26 1.67 -1.33 0.00 0.00 177.39 179.66 1h45 n GLN 110 N -0.03 2.54 -0.02 3.23 0.00 -1.26 -1.60 117.38 120.24 1h45 n GLN 110 Ca 0.10 0.91 0.00 0.00 -0.00 0.00 0.00 57.00 58.01 1h45 n GLN 110 Cb 0.46 -2.70 0.00 0.00 0.00 0.00 0.00 30.24 28.00 1h45 n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1h45 n GLY 111 N 3.13 2.34 3.95 1.69 0.00 0.16 -4.97 105.19 111.49 1h45 n GLY 111 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1h45 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h45 s LEU 112 N 0.00 2.82 -0.11 0.99 1.43 -0.63 -3.65 118.68 119.53 1h45 s LEU 112 Ca 0.00 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1h45 s LEU 112 Cb 0.00 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1h45 s LEU 112 CO 0.00 -2.21 0.02 -0.54 0.23 0.00 0.00 176.35 173.84 1h45 s LYS 113 N -5.51 3.28 0.14 1.70 1.02 -1.26 -1.12 119.74 117.99 1h45 s LYS 113 Ca 0.69 -0.39 0.10 0.00 0.02 0.00 0.00 55.97 56.39 1h45 s LYS 113 Cb -0.06 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1h45 s LYS 113 CO 0.48 0.58 -0.23 -1.54 -0.92 0.00 0.00 175.35 173.73 1h45 s SER 114 N -0.53 2.96 -0.13 2.83 1.04 -0.78 -0.50 113.70 118.60 1h45 s SER 114 Ca 0.09 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1h45 s SER 114 Cb -0.12 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1h45 s SER 114 CO 0.02 0.08 -0.19 0.00 0.98 0.00 0.00 173.24 174.14 1h45 s HIS 116 N 0.92 2.08 0.36 0.00 3.76 -0.39 -1.41 115.29 120.61 1h45 s HIS 116 Ca -0.06 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1h45 s HIS 116 Cb -0.15 -1.14 0.69 0.00 1.11 0.00 0.00 32.58 33.09 1h45 s HIS 116 CO -0.02 0.26 1.89 1.79 -0.85 0.00 0.00 174.74 177.81 1h45 h THR 117 N 4.01 1.19 0.00 1.30 1.35 -1.73 -3.40 112.91 115.62 1h45 h THR 117 Ca -0.48 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1h45 h THR 117 Cb 1.17 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1h45 h THR 117 CO 0.40 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 1h45 n GLY 118 N -0.86 2.78 3.73 5.82 0.00 -1.26 -0.19 105.19 115.20 1h45 n GLY 118 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1h45 n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h45 s LEU 119 N 0.00 4.36 -0.10 0.99 2.96 0.56 -2.21 118.68 125.24 1h45 s LEU 119 Ca 0.00 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 1h45 s LEU 119 Cb 0.00 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1h45 s LEU 119 CO 0.00 -0.91 0.00 0.54 -1.32 0.00 0.00 176.35 174.66 1h45 n ARG 120 N 3.40 -0.96 -2.59 1.98 1.74 -1.26 -5.00 116.66 113.97 1h45 n ARG 120 Ca 0.13 0.30 -0.30 0.00 -0.77 0.00 0.00 57.85 57.21 1h45 n ARG 120 Cb 0.37 -4.06 -0.02 0.00 -1.02 0.00 0.00 32.46 27.72 1h45 n ARG 120 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1h45 s ARG 121 N -1.17 3.77 0.00 5.56 1.81 -0.94 -4.15 118.95 123.84 1h45 s ARG 121 Ca 0.00 0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.61 1h45 s ARG 121 Cb 0.00 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 1h45 s ARG 121 CO 0.00 -0.18 0.74 2.41 -0.68 0.00 0.00 175.30 177.59 1h45 n THR 122 N -1.66 0.00 0.10 0.02 -1.04 -1.26 -0.59 114.28 109.84 1h45 n THR 122 Ca 0.04 1.24 -0.00 0.00 -2.04 0.00 0.00 64.05 63.29 1h45 n THR 122 Cb 0.54 -2.23 0.28 0.00 -1.82 0.00 0.00 70.33 67.11 1h45 n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h45 h ALA 123 N -1.98 1.25 0.00 2.41 0.00 -1.91 -0.75 119.26 118.28 1h45 h ALA 123 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1h45 h ALA 123 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1h45 h ALA 123 CO 0.00 0.50 -0.12 0.78 0.00 0.00 0.00 179.25 180.42 1h45 h GLY 124 N 1.04 0.00 0.00 0.00 0.00 -1.68 -3.37 103.07 99.07 1h45 h GLY 124 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1h45 h GLY 124 CO 0.05 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.46 1h45 n TRP 125 N -2.57 -1.83 -0.23 5.60 -0.00 -0.41 -4.23 117.44 113.77 1h45 n TRP 125 Ca 0.04 0.36 0.04 0.00 -0.00 0.00 0.00 57.50 57.95 1h45 n TRP 125 Cb 0.47 0.98 0.15 0.00 -0.00 0.00 0.00 31.31 32.92 1h45 n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1h45 h ASN 126 N 0.00 -0.13 0.24 5.87 2.35 -0.73 -0.05 115.58 123.12 1h45 h ASN 126 Ca 0.00 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1h45 h ASN 126 Cb 0.00 0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1h45 h ASN 126 CO 0.00 -0.08 -0.12 0.58 -1.65 0.00 0.00 177.43 176.16 1h45 h VAL 127 N 0.19 0.63 -0.71 2.81 2.07 -1.36 -2.43 116.25 117.45 1h45 h VAL 127 Ca 0.38 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1h45 h VAL 127 Cb 0.65 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1h45 h VAL 127 CO -0.53 0.15 0.44 1.55 0.02 0.00 0.00 177.57 179.20 1h45 h PRO 128 N -0.91 0.95 -0.40 1.57 0.13 -1.73 -0.36 132.00 131.25 1h45 h PRO 128 Ca -0.03 -0.08 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1h45 h PRO 128 Cb 0.50 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1h45 h PRO 128 CO 0.05 0.66 -0.22 0.82 -0.23 0.00 0.00 178.00 179.08 1h45 h ILE 129 N 0.96 1.27 -0.68 -3.56 1.08 -1.13 -0.31 117.51 115.14 1h45 h ILE 129 Ca 0.26 -1.34 -0.06 0.00 -0.39 0.00 0.00 64.86 63.32 1h45 h ILE 129 Cb -0.06 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1h45 h ILE 129 CO -0.05 0.45 0.19 1.23 -0.69 0.00 0.00 178.15 179.28 1h45 h GLY 130 N 0.95 1.16 1.17 5.37 0.00 -1.16 -1.53 103.07 109.03 1h45 h GLY 130 Ca 0.10 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1h45 h GLY 130 CO 0.06 0.66 0.09 -0.84 0.00 0.00 0.00 176.54 176.51 1h45 h THR 131 N 1.01 1.26 -0.00 4.70 2.02 -0.70 -2.99 112.91 118.20 1h45 h THR 131 Ca 0.22 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1h45 h THR 131 Cb 0.34 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1h45 h THR 131 CO -0.00 0.38 -0.15 0.18 0.37 0.00 0.00 175.52 176.30 1h45 n LEU 132 N -4.22 0.53 -0.35 2.58 4.77 -0.16 -4.41 117.00 115.74 1h45 n LEU 132 Ca 0.04 -0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1h45 n LEU 132 Cb 0.29 -0.19 0.20 0.00 -2.33 0.00 0.00 43.42 41.38 1h45 n LEU 132 CO 0.42 0.10 0.71 0.54 -1.33 0.00 0.00 177.39 177.83 1h45 n ARG 133 N -0.97 -0.09 -0.03 3.23 5.12 -0.60 -0.07 116.66 123.26 1h45 n ARG 133 Ca 0.13 1.52 0.23 0.00 -1.93 0.00 0.00 57.85 57.80 1h45 n ARG 133 Cb 0.29 -2.33 0.71 0.00 -1.16 0.00 0.00 32.46 29.98 1h45 n ARG 133 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h45 h PRO 134 N 0.00 0.00 0.00 5.56 0.11 -1.83 -0.60 132.00 135.23 1h45 h PRO 134 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1h45 h PRO 134 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1h45 h PRO 134 CO -0.99 0.00 -0.69 0.74 -0.21 0.00 0.00 178.00 176.86 1h45 h PHE 135 N 0.00 0.00 -4.15 0.65 -1.00 -0.81 -3.47 116.94 108.16 1h45 h PHE 135 Ca 0.29 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.59 1h45 h PHE 135 Cb 1.22 0.00 0.07 0.00 3.61 0.00 0.00 35.95 40.85 1h45 h PHE 135 CO 0.00 0.00 0.32 -0.51 -1.61 0.00 0.00 178.31 176.51 1h45 s LEU 136 N -4.34 2.99 -0.40 1.54 1.43 -0.24 -4.99 118.68 114.67 1h45 s LEU 136 Ca 0.05 0.91 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 1h45 s LEU 136 Cb 0.13 -3.69 0.45 0.00 0.03 0.00 0.00 46.19 43.11 1h45 s LEU 136 CO 0.73 -1.30 1.33 -0.90 0.23 0.00 0.00 176.35 176.44 1h45 n ASP 137 N -2.87 5.39 -4.71 2.29 5.68 -1.26 -5.01 116.55 116.05 1h45 n ASP 137 Ca 0.06 -3.75 -0.42 0.00 -0.50 0.00 0.00 54.79 50.18 1h45 n ASP 137 Cb 0.58 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 1h45 n ASP 137 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1h45 s TRP 138 N -3.64 3.24 -0.42 2.11 -0.00 -1.26 -4.90 118.94 114.07 1h45 s TRP 138 Ca 0.52 0.98 0.11 0.00 -0.00 0.00 0.00 56.10 57.72 1h45 s TRP 138 Cb 0.42 -3.65 0.66 0.00 -0.00 0.00 0.00 33.47 30.90 1h45 s TRP 138 CO -0.03 -2.26 1.51 0.25 -0.00 0.00 0.00 176.95 176.41 1h45 n THR 139 N 3.99 2.21 -1.19 5.86 -2.24 -1.26 -5.05 114.28 116.59 1h45 n THR 139 Ca 0.11 -1.12 0.16 0.00 -2.27 0.00 0.00 64.05 60.93 1h45 n THR 139 Cb 0.43 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 1h45 n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h45 n GLY 140 N 0.52 -2.08 3.46 3.38 0.00 -1.26 -4.79 105.19 104.41 1h45 n GLY 140 Ca 0.22 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1h45 n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h45 n PRO 141 N -3.81 0.46 0.00 1.61 -0.02 -1.26 -2.05 135.00 129.94 1h45 n PRO 141 Ca -0.01 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1h45 n PRO 141 Cb 0.55 -1.69 0.67 0.00 -0.02 0.00 0.00 33.50 33.01 1h45 n PRO 141 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1h45 n PRO 142 N -0.06 0.99 -2.11 0.52 -0.04 -1.26 -5.08 135.00 127.95 1h45 n PRO 142 Ca 0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1h45 n PRO 142 Cb 0.48 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1h45 n PRO 142 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1h45 s GLU 143 N -2.00 4.20 0.33 0.54 2.12 -0.87 -4.96 118.70 118.06 1h45 s GLU 143 Ca 0.34 2.06 -0.29 0.00 0.36 0.00 0.00 54.97 57.44 1h45 s GLU 143 Cb 0.15 -3.88 -0.10 0.00 0.26 0.00 0.00 34.13 30.56 1h45 s GLU 143 CO 0.26 -0.78 1.36 -1.25 -0.54 0.00 0.00 175.26 174.31 1h45 s PRO 144 N 3.69 4.30 0.48 4.30 0.04 -1.26 -4.65 135.00 141.90 1h45 s PRO 144 Ca 0.68 2.30 0.22 0.00 0.04 0.00 0.00 61.00 64.24 1h45 s PRO 144 Cb -0.31 -3.06 1.26 0.00 0.04 0.00 0.00 34.50 32.43 1h45 s PRO 144 CO 0.26 -0.29 1.93 0.97 0.04 0.00 0.00 177.00 179.91 1h45 h ILE 145 N 3.11 0.71 -0.81 0.56 6.09 -1.95 -0.84 117.51 124.37 1h45 h ILE 145 Ca -0.49 -0.06 0.13 0.00 -1.37 0.00 0.00 64.86 63.06 1h45 h ILE 145 Cb 1.23 0.50 -0.06 0.00 0.47 0.00 0.00 36.82 38.96 1h45 h ILE 145 CO 0.67 0.03 0.53 -0.33 -3.07 0.00 0.00 178.15 175.98 1h45 h GLU 146 N 0.19 0.60 -0.69 2.19 3.07 -1.99 -1.07 114.58 116.87 1h45 h GLU 146 Ca 0.36 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1h45 h GLU 146 Cb 1.13 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.87 1h45 h GLU 146 CO -0.07 0.40 0.39 0.00 -1.40 0.00 0.00 179.01 178.33 1h45 h ALA 147 N 1.62 0.88 -0.42 3.43 0.00 -1.51 0.12 119.26 123.38 1h45 h ALA 147 Ca 0.39 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1h45 h ALA 147 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1h45 h ALA 147 CO -0.15 0.38 -0.32 0.00 0.00 0.00 0.00 179.25 179.15 1h45 h ALA 148 N 1.20 0.60 -0.65 0.00 0.00 -1.34 -2.41 119.26 116.66 1h45 h ALA 148 Ca 0.24 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1h45 h ALA 148 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1h45 h ALA 148 CO -0.04 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.33 1h45 h VAL 149 N 0.78 1.25 0.00 0.00 2.07 -0.93 -1.49 116.25 117.92 1h45 h VAL 149 Ca 0.08 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1h45 h VAL 149 Cb 0.91 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1h45 h VAL 149 CO 0.08 0.33 -0.06 0.00 0.02 0.00 0.00 177.57 177.95 1h45 h ALA 150 N 1.23 1.06 0.00 1.67 0.00 -0.54 -1.92 119.26 120.76 1h45 h ALA 150 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1h45 h ALA 150 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1h45 h ALA 150 CO -0.00 0.07 -1.18 0.00 0.00 0.00 0.00 179.25 178.13 1h45 h ARG 151 N 0.00 0.00 0.04 0.00 3.08 -0.88 -3.40 114.38 113.22 1h45 h ARG 151 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h45 h ARG 151 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1h45 h ARG 151 CO 0.01 0.15 -0.02 0.35 -1.07 0.00 0.00 179.97 179.39 1h45 h PHE 152 N 0.00 -0.05 -3.51 3.04 3.57 -0.60 -3.45 116.94 115.93 1h45 h PHE 152 Ca -0.08 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.89 1h45 h PHE 152 Cb 1.30 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1h45 h PHE 152 CO 0.00 0.06 0.16 -0.06 -2.23 0.00 0.00 178.31 176.24 1h45 s PHE 153 N -1.81 3.88 0.29 0.41 0.08 -0.79 -0.66 117.98 119.37 1h45 s PHE 153 Ca -0.03 1.59 -0.02 0.00 0.12 0.00 0.00 56.93 58.60 1h45 s PHE 153 Cb -0.00 -2.74 0.42 0.00 -0.57 0.00 0.00 43.02 40.13 1h45 s PHE 153 CO 0.09 0.50 1.89 0.66 -0.10 0.00 0.00 175.22 178.27 1h45 h SER 154 N 4.23 0.87 -4.90 1.36 4.64 -1.19 -3.44 113.55 115.12 1h45 h SER 154 Ca -0.47 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.74 1h45 h SER 154 Cb 1.21 -0.22 -0.16 0.00 -0.31 0.00 0.00 62.40 62.91 1h45 h SER 154 CO 0.66 0.73 0.25 0.00 -0.87 0.00 0.00 176.83 177.60 1h45 s ALA 155 N -5.57 -1.73 0.34 5.18 0.00 -1.26 -4.94 121.76 113.79 1h45 s ALA 155 Ca -0.11 1.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 1h45 s ALA 155 Cb 0.17 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1h45 s ALA 155 CO 0.80 -0.53 0.59 -1.12 0.00 0.00 0.00 175.76 175.49 1h45 s SER 156 N -1.85 0.47 -0.22 0.00 0.01 -0.28 -1.87 113.70 109.96 1h45 s SER 156 Ca -0.05 -1.28 -0.02 0.00 1.31 0.00 0.00 55.95 55.91 1h45 s SER 156 Cb -0.00 0.72 0.07 0.00 0.21 0.00 0.00 66.02 67.01 1h45 s SER 156 CO -0.01 -1.41 0.03 0.00 0.41 0.00 0.00 173.24 172.26 1h45 s VAL 158 N 1.74 2.18 0.17 0.00 1.01 0.13 -1.27 120.40 124.37 1h45 s VAL 158 Ca 0.00 -3.15 -0.33 0.00 0.00 0.00 0.00 61.98 58.50 1h45 s VAL 158 Cb -0.17 -2.51 -0.16 0.00 0.00 0.00 0.00 36.38 33.54 1h45 s VAL 158 CO -0.11 -0.86 1.18 -2.65 0.00 0.00 0.00 175.10 172.66 1h45 n PRO 159 N 3.13 1.20 0.00 2.72 -0.02 -1.26 -1.45 135.00 139.31 1h45 n PRO 159 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1h45 n PRO 159 Cb 0.33 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1h45 n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h45 n GLY 160 N 2.04 1.45 3.79 -1.23 0.00 0.07 -0.32 105.19 110.98 1h45 n GLY 160 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1h45 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h45 s ALA 161 N -2.44 2.79 -0.54 4.61 0.00 -0.53 -4.91 121.76 120.74 1h45 s ALA 161 Ca 0.00 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 1h45 s ALA 161 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1h45 s ALA 161 CO 0.00 -0.54 1.69 0.34 0.00 0.00 0.00 175.76 177.25 1h45 s ASP 162 N -1.87 5.69 0.62 0.00 2.15 -1.26 -4.84 116.67 117.16 1h45 s ASP 162 Ca 0.70 0.50 0.34 0.00 0.43 0.00 0.00 52.55 54.51 1h45 s ASP 162 Cb -0.20 -2.53 1.96 0.00 -0.30 0.00 0.00 42.92 41.84 1h45 s ASP 162 CO 0.23 -2.01 2.24 0.50 -0.17 0.00 0.00 175.17 175.96 1h45 h LYS 163 N 13.16 0.00 -0.03 4.34 3.64 -1.92 0.10 116.57 135.86 1h45 h LYS 163 Ca -0.28 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1h45 h LYS 163 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1h45 h LYS 163 CO 1.17 0.00 -0.24 0.78 -2.27 0.00 0.00 179.45 178.89 1h45 h GLY 164 N 0.00 0.25 1.23 5.01 0.00 -1.98 -3.14 103.07 104.44 1h45 h GLY 164 Ca 0.02 -0.37 -0.28 0.00 0.00 0.00 0.00 47.33 46.70 1h45 h GLY 164 CO -0.00 0.33 -1.54 1.46 0.00 0.00 0.00 176.54 176.79 1h45 h GLN 165 N -0.36 0.03 -2.13 4.80 4.20 -1.87 -3.41 115.11 116.37 1h45 h GLN 165 Ca -0.02 -0.05 -0.56 0.00 0.06 0.00 0.00 58.65 58.08 1h45 h GLN 165 Cb 0.93 0.02 -0.41 0.00 0.30 0.00 0.00 27.48 28.32 1h45 h GLN 165 CO 0.05 0.69 -0.87 1.19 -0.67 0.00 0.00 178.83 179.21 1h45 n PHE 166 N -3.17 2.02 -0.28 2.96 3.72 0.31 -4.94 117.46 118.07 1h45 n PHE 166 Ca -0.13 -3.90 0.19 0.00 -0.05 0.00 0.00 57.45 53.56 1h45 n PHE 166 Cb 1.02 -0.46 0.47 0.00 -0.94 0.00 0.00 39.48 39.58 1h45 n PHE 166 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1h45 h PRO 167 N 3.48 0.46 -0.81 -1.08 0.13 -1.72 -1.18 132.00 131.28 1h45 h PRO 167 Ca 0.13 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.31 1h45 h PRO 167 Cb 0.74 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 1h45 h PRO 167 CO 0.66 0.31 0.53 -0.91 -0.23 0.00 0.00 178.00 178.36 1h45 h ASN 168 N 0.48 0.73 0.67 1.44 4.21 -1.91 -1.59 115.58 119.61 1h45 h ASN 168 Ca 0.52 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.04 1h45 h ASN 168 Cb 1.20 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1h45 h ASN 168 CO -0.24 0.45 0.00 0.18 -1.29 0.00 0.00 177.43 176.53 1h45 n LEU 169 N -4.50 0.23 -0.00 1.61 4.77 -0.45 -1.12 117.00 117.55 1h45 n LEU 169 Ca 0.13 0.55 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 1h45 n LEU 169 Cb 0.27 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1h45 n LEU 169 CO 0.32 -0.31 -0.02 0.00 -1.33 0.00 0.00 177.39 176.06 1h45 h ARG 171 N 0.00 0.62 0.00 0.00 2.43 -1.17 -1.59 114.38 114.67 1h45 h ARG 171 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1h45 h ARG 171 Cb 0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1h45 h ARG 171 CO 0.00 0.41 -0.22 1.28 -1.51 0.00 0.00 179.97 179.92 1h45 n LEU 172 N -4.86 0.54 -4.72 3.80 4.77 -0.26 -4.91 117.00 111.36 1h45 n LEU 172 Ca 0.21 0.39 -0.38 0.00 -0.03 0.00 0.00 56.01 56.20 1h45 n LEU 172 Cb 0.56 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1h45 n LEU 172 CO 0.19 -0.06 0.89 0.00 -1.33 0.00 0.00 177.39 177.08 1h45 n ALA 174 N -1.17 2.37 -1.75 0.00 0.00 -1.26 -4.82 120.51 113.88 1h45 n ALA 174 Ca 0.11 -1.01 -0.38 0.00 0.00 0.00 0.00 53.44 52.17 1h45 n ALA 174 Cb 0.45 -0.73 0.03 0.00 0.00 0.00 0.00 19.45 19.20 1h45 n ALA 174 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1h45 s GLY 175 N -1.26 2.84 0.09 0.00 0.00 -1.26 -4.71 107.32 103.02 1h45 s GLY 175 Ca 0.34 1.17 -0.28 0.00 0.00 0.00 0.00 44.72 45.95 1h45 s GLY 175 CO 0.27 1.65 0.90 -1.59 0.00 0.00 0.00 173.10 174.33 1h45 s THR 176 N -1.41 4.58 0.00 0.90 2.01 -1.26 -3.51 115.64 116.95 1h45 s THR 176 Ca 0.71 1.94 0.00 0.00 0.31 0.00 0.00 61.69 64.64 1h45 s THR 176 Cb -0.36 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 67.89 1h45 s THR 176 CO 0.42 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1h45 n GLY 177 N 2.31 3.00 0.17 4.40 0.00 -1.26 -0.74 105.19 113.07 1h45 n GLY 177 Ca 0.01 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1h45 n GLY 177 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h45 h GLU 178 N 0.00 0.00 -0.01 1.61 4.39 -2.03 -2.20 114.58 116.34 1h45 h GLU 178 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1h45 h GLU 178 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1h45 h GLU 178 CO 0.00 0.00 -0.05 0.09 -1.16 0.00 0.00 179.01 177.89 1h45 n ASN 179 N -2.35 1.00 -4.70 1.42 3.02 0.08 -4.76 115.26 108.96 1h45 n ASN 179 Ca 0.00 -1.20 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 1h45 n ASN 179 Cb 0.14 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1h45 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1h45 s LYS 180 N -2.13 4.20 -0.34 3.52 2.20 -0.83 -1.40 119.74 124.96 1h45 s LYS 180 Ca 0.37 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 1h45 s LYS 180 Cb 0.21 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1h45 s LYS 180 CO 0.38 -0.68 0.00 0.00 -0.36 0.00 0.00 175.35 174.69 1h45 s ALA 182 N -2.00 3.09 -1.36 0.00 0.00 -0.49 -0.75 121.76 120.24 1h45 s ALA 182 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1h45 s ALA 182 Cb 0.00 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.83 1h45 s ALA 182 CO 0.00 -0.61 2.35 0.34 0.00 0.00 0.00 175.76 177.84 1h45 n PHE 183 N -0.15 2.67 -3.80 0.00 -0.00 -1.26 -4.31 117.46 110.60 1h45 n PHE 183 Ca 0.05 -2.85 -0.04 0.00 -0.00 0.00 0.00 57.45 54.61 1h45 n PHE 183 Cb 0.47 -1.96 -0.01 0.00 -0.00 0.00 0.00 39.48 37.98 1h45 n PHE 183 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1h45 s SER 184 N 0.77 -0.14 0.00 -2.13 1.04 -1.26 -4.96 113.70 107.01 1h45 s SER 184 Ca 0.53 -0.55 0.10 0.00 0.48 0.00 0.00 55.95 56.50 1h45 s SER 184 Cb 0.16 0.56 0.45 0.00 0.10 0.00 0.00 66.02 67.30 1h45 s SER 184 CO -0.07 -1.06 1.25 -1.54 0.98 0.00 0.00 173.24 172.80 1h45 n SER 185 N -0.68 0.00 0.04 7.02 3.41 -1.26 -1.42 113.62 120.73 1h45 n SER 185 Ca -0.05 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1h45 n SER 185 Cb 0.60 -0.39 0.44 0.00 -0.26 0.00 0.00 64.21 64.61 1h45 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h45 n GLN 186 N -1.39 0.08 -3.69 4.33 1.13 -1.26 -4.35 117.38 112.23 1h45 n GLN 186 Ca 0.03 0.21 -0.39 0.00 -1.94 0.00 0.00 57.00 54.92 1h45 n GLN 186 Cb 0.09 -1.62 -0.12 0.00 0.11 0.00 0.00 30.24 28.70 1h45 n GLN 186 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1h45 s GLU 187 N -3.08 2.70 0.55 -1.09 2.56 -0.51 -4.52 118.70 115.31 1h45 s GLU 187 Ca 0.09 -1.14 0.33 0.00 0.00 0.00 0.00 54.97 54.25 1h45 s GLU 187 Cb 0.12 -3.57 1.49 0.00 2.00 0.00 0.00 34.13 34.18 1h45 s GLU 187 CO 0.41 -0.68 1.85 -1.35 -0.56 0.00 0.00 175.26 174.93 1h45 h PRO 188 N 8.30 0.00 -0.65 4.30 0.11 -1.84 -1.03 132.00 141.19 1h45 h PRO 188 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 1h45 h PRO 188 Cb 1.09 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1h45 h PRO 188 CO 0.63 0.00 0.08 0.66 -0.21 0.00 0.00 178.00 179.16 1h45 n TYR 189 N -4.13 2.12 -2.89 0.65 4.01 -1.26 -4.21 117.16 111.44 1h45 n TYR 189 Ca 0.19 -0.83 -0.36 0.00 -0.16 0.00 0.00 57.90 56.75 1h45 n TYR 189 Cb 1.03 -0.55 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 1h45 n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1h45 s PHE 190 N -2.74 3.59 0.00 -0.72 5.36 -0.39 -2.92 117.98 120.16 1h45 s PHE 190 Ca 0.52 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 58.11 1h45 s PHE 190 Cb 0.41 -2.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 1h45 s PHE 190 CO 0.15 0.17 0.00 0.45 -1.46 0.00 0.00 175.22 174.53 1h45 n SER 191 N 0.31 -4.24 0.19 6.13 2.88 0.73 -2.21 113.62 117.41 1h45 n SER 191 Ca 0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.41 1h45 n SER 191 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1h45 n SER 191 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1h45 h TYR 192 N 0.00 -1.09 -0.21 0.66 0.05 -1.92 0.31 116.97 114.77 1h45 h TYR 192 Ca 0.00 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 1h45 h TYR 192 Cb 0.00 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1h45 h TYR 192 CO 0.00 -0.53 -0.32 0.77 -1.05 0.00 0.00 178.16 177.03 1h45 h SER 193 N -0.73 0.44 -0.34 3.88 0.02 -1.96 -1.73 113.55 113.13 1h45 h SER 193 Ca -0.01 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1h45 h SER 193 Cb 0.69 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1h45 h SER 193 CO -0.13 0.74 -0.13 1.23 -1.14 0.00 0.00 176.83 177.40 1h45 h GLY 194 N 1.07 0.74 1.02 -3.77 0.00 -1.32 -0.32 103.07 100.51 1h45 h GLY 194 Ca 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1h45 h GLY 194 CO 0.06 0.59 0.34 0.00 0.00 0.00 0.00 176.54 177.53 1h45 h ALA 195 N 0.79 0.97 -0.24 3.60 0.00 -0.80 -0.79 119.26 122.79 1h45 h ALA 195 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1h45 h ALA 195 Cb 0.65 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1h45 h ALA 195 CO 0.04 0.55 -0.25 0.35 0.00 0.00 0.00 179.25 179.94 1h45 h PHE 196 N 1.06 0.51 -0.50 0.00 3.57 -1.17 -2.64 116.94 117.78 1h45 h PHE 196 Ca 0.26 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1h45 h PHE 196 Cb 0.15 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1h45 h PHE 196 CO 0.01 0.67 -0.09 -0.22 -2.23 0.00 0.00 178.31 176.46 1h45 h LYS 197 N 0.41 0.91 -0.59 1.11 3.64 -0.45 0.17 116.57 121.76 1h45 h LYS 197 Ca 0.06 -0.31 0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1h45 h LYS 197 Cb 0.66 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1h45 h LYS 197 CO 0.05 0.95 0.40 0.00 -2.27 0.00 0.00 179.45 178.58 1h45 h LEU 199 N 0.41 0.27 -0.74 0.00 5.85 -1.05 -1.47 115.31 118.58 1h45 h LEU 199 Ca 0.27 -0.95 0.06 0.00 0.84 0.00 0.00 57.88 58.10 1h45 h LEU 199 Cb 0.52 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1h45 h LEU 199 CO -0.07 1.26 0.43 0.03 -0.34 0.00 0.00 178.44 179.75 1h45 h ARG 200 N -0.62 0.77 0.00 1.25 3.08 0.34 -0.10 114.38 119.10 1h45 h ARG 200 Ca -0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1h45 h ARG 200 Cb 1.40 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1h45 h ARG 200 CO 0.08 0.51 0.00 -0.25 -1.07 0.00 0.00 179.97 179.24 1h45 n ASP 201 N -4.72 0.37 0.00 7.04 8.00 0.22 -4.88 116.55 122.57 1h45 n ASP 201 Ca 0.10 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1h45 n ASP 201 Cb 0.18 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1h45 n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h45 n GLY 202 N 0.03 0.74 0.29 0.44 0.00 -0.05 -4.93 105.19 101.70 1h45 n GLY 202 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1h45 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h45 h ALA 203 N 0.00 0.71 -1.73 4.61 0.00 -1.51 -3.45 119.26 117.88 1h45 h ALA 203 Ca 0.00 -0.38 -0.60 0.00 0.00 0.00 0.00 54.91 53.93 1h45 h ALA 203 Cb 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 1h45 h ALA 203 CO 0.00 0.68 -0.58 0.20 0.00 0.00 0.00 179.25 179.54 1h45 s GLY 204 N -3.70 2.32 -0.02 0.00 0.00 -0.71 -4.89 107.32 100.31 1h45 s GLY 204 Ca -0.11 -2.15 0.19 0.00 0.00 0.00 0.00 44.72 42.65 1h45 s GLY 204 CO 0.87 -1.99 0.49 1.22 0.00 0.00 0.00 173.10 173.68 1h45 n ASP 205 N -1.03 0.61 -3.79 1.64 8.00 0.35 -4.61 116.55 117.72 1h45 n ASP 205 Ca -0.04 -0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 1h45 n ASP 205 Cb 0.65 1.75 -0.11 0.00 -0.02 0.00 0.00 41.12 43.39 1h45 n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h45 s VAL 206 N -3.26 0.02 -0.10 2.53 0.11 -1.15 -4.43 120.40 114.13 1h45 s VAL 206 Ca -0.05 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1h45 s VAL 206 Cb 0.13 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1h45 s VAL 206 CO 0.80 -0.07 -0.21 0.00 -3.33 0.00 0.00 175.10 172.28 1h45 s ALA 207 N -0.21 2.00 -0.48 1.54 0.00 -0.17 -0.80 121.76 123.64 1h45 s ALA 207 Ca -0.03 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1h45 s ALA 207 Cb -0.03 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.39 1h45 s ALA 207 CO 0.01 0.22 0.41 -0.06 0.00 0.00 0.00 175.76 176.33 1h45 s PHE 208 N 0.47 3.25 0.00 0.00 0.08 -0.50 -1.17 117.98 120.10 1h45 s PHE 208 Ca -0.17 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 55.87 1h45 s PHE 208 Cb -0.17 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 1h45 s PHE 208 CO 0.07 -0.83 0.00 0.44 -0.10 0.00 0.00 175.22 174.79 1h45 n ILE 209 N 5.20 0.00 -3.13 0.64 -5.35 -1.01 -3.74 119.36 111.97 1h45 n ILE 209 Ca -0.13 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.09 1h45 n ILE 209 Cb 0.43 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.32 1h45 n ILE 209 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1h45 s GLY 210 N -0.56 1.54 0.55 3.28 0.00 -1.26 -0.72 107.32 110.15 1h45 s GLY 210 Ca 0.00 -0.68 0.33 0.00 0.00 0.00 0.00 44.72 44.37 1h45 s GLY 210 CO 0.00 -0.57 2.09 1.05 0.00 0.00 0.00 173.10 175.67 1h45 h GLU 211 N 0.86 0.00 0.00 2.90 9.09 -1.64 -3.01 114.58 122.78 1h45 h GLU 211 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1h45 h GLU 211 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1h45 h GLU 211 CO 0.63 0.07 -0.40 0.66 0.05 0.00 0.00 179.01 180.02 1h45 h SER 212 N 0.00 0.00 -0.47 3.06 4.64 -1.94 -3.39 113.55 115.45 1h45 h SER 212 Ca -0.00 -0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1h45 h SER 212 Cb 0.35 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.35 1h45 h SER 212 CO 0.01 0.01 -0.14 0.74 -0.87 0.00 0.00 176.83 176.58 1h45 h THR 213 N 0.00 0.49 -0.80 2.95 2.02 -1.93 -1.16 112.91 114.48 1h45 h THR 213 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1h45 h THR 213 Cb 0.94 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1h45 h THR 213 CO 0.00 0.00 0.53 1.62 0.37 0.00 0.00 175.52 178.04 1h45 h VAL 214 N -0.03 1.15 -0.11 3.16 3.04 -1.80 -0.86 116.25 120.79 1h45 h VAL 214 Ca 0.23 -0.35 -0.18 0.00 -1.01 0.00 0.00 66.70 65.39 1h45 h VAL 214 Cb 0.37 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1h45 h VAL 214 CO -0.50 0.18 -0.69 -0.26 -1.01 0.00 0.00 177.57 175.30 1h45 h PHE 215 N 1.01 0.64 -0.10 3.17 0.04 -1.60 -0.63 116.94 119.48 1h45 h PHE 215 Ca 0.31 -0.27 -0.18 0.00 2.80 0.00 0.00 57.97 60.64 1h45 h PHE 215 Cb 0.00 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1h45 h PHE 215 CO -0.00 1.03 -0.68 0.93 -0.60 0.00 0.00 178.31 178.98 1h45 h GLU 216 N 0.34 0.42 0.00 1.51 5.08 -0.77 -3.33 114.58 117.84 1h45 h GLU 216 Ca -0.02 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1h45 h GLU 216 Cb 1.26 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1h45 h GLU 216 CO 0.12 0.95 -1.06 -0.25 -1.00 0.00 0.00 179.01 177.78 1h45 n ASP 217 N -3.87 0.68 -3.80 1.42 9.92 -0.37 -4.76 116.55 115.78 1h45 n ASP 217 Ca -0.04 0.14 -0.30 0.00 -0.53 0.00 0.00 54.79 54.06 1h45 n ASP 217 Cb 0.68 0.64 -0.15 0.00 -0.64 0.00 0.00 41.12 41.66 1h45 n ASP 217 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1h45 s LEU 218 N -4.77 2.88 0.22 0.64 1.43 -0.25 -4.99 118.68 113.84 1h45 s LEU 218 Ca 0.01 -1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 51.23 1h45 s LEU 218 Cb 0.12 -1.06 0.19 0.00 0.03 0.00 0.00 46.19 45.47 1h45 s LEU 218 CO 0.79 -0.39 1.56 0.77 0.23 0.00 0.00 176.35 179.32 1h45 h SER 219 N 7.83 0.56 -2.96 2.29 4.64 -1.84 -3.43 113.55 120.64 1h45 h SER 219 Ca -0.10 -0.27 -0.57 0.00 -0.47 0.00 0.00 61.79 60.38 1h45 h SER 219 Cb 1.01 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 1h45 h SER 219 CO 0.49 0.95 0.94 -0.62 -0.87 0.00 0.00 176.83 177.72 1h45 s ASP 220 N -6.88 6.82 0.36 4.97 -1.08 -1.26 -4.90 116.67 114.70 1h45 s ASP 220 Ca -0.07 1.56 0.10 0.00 -0.52 0.00 0.00 52.55 53.63 1h45 s ASP 220 Cb 0.12 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.91 1h45 s ASP 220 CO 0.83 -0.89 1.84 -0.08 0.52 0.00 0.00 175.17 177.38 1h45 h GLU 221 N 8.74 0.62 -0.39 4.34 4.81 -2.00 -0.57 114.58 130.14 1h45 h GLU 221 Ca -0.27 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1h45 h GLU 221 Cb 1.11 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1h45 h GLU 221 CO 0.99 0.41 -0.11 0.00 -0.73 0.00 0.00 179.01 179.57 1h45 h ALA 222 N 1.61 1.08 -0.15 2.92 0.00 -1.97 -2.32 119.26 120.43 1h45 h ALA 222 Ca 0.49 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1h45 h ALA 222 Cb 0.90 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h45 h ALA 222 CO -0.25 0.57 -0.16 0.93 0.00 0.00 0.00 179.25 180.34 1h45 h GLU 223 N 0.62 0.37 0.00 0.00 5.08 -1.52 -2.86 114.58 116.27 1h45 h GLU 223 Ca 0.11 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1h45 h GLU 223 Cb 0.56 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1h45 h GLU 223 CO 0.03 0.76 -0.00 0.00 -1.00 0.00 0.00 179.01 178.80 1h45 h ARG 224 N -0.01 0.00 0.00 2.33 3.08 -1.28 0.27 114.38 118.77 1h45 h ARG 224 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1h45 h ARG 224 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1h45 h ARG 224 CO 0.04 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.47 1h45 n ASP 225 N -3.79 0.00 -0.86 7.04 2.03 -0.88 -2.18 116.55 117.90 1h45 n ASP 225 Ca -0.03 -0.16 0.09 0.00 0.52 0.00 0.00 54.79 55.22 1h45 n ASP 225 Cb 0.08 -0.22 0.26 0.00 -0.72 0.00 0.00 41.12 40.52 1h45 n ASP 225 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1h45 n GLU 226 N -1.22 2.10 -4.29 -0.67 1.02 0.08 -4.88 120.64 112.78 1h45 n GLU 226 Ca 0.11 -1.68 -0.18 0.00 -0.02 0.00 0.00 57.16 55.39 1h45 n GLU 226 Cb 0.15 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 1h45 n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1h45 s TYR 227 N -1.50 1.52 0.31 -0.32 2.02 -0.93 -0.67 117.35 117.79 1h45 s TYR 227 Ca 0.34 -0.59 -0.10 0.00 -0.37 0.00 0.00 57.07 56.35 1h45 s TYR 227 Cb 0.18 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1h45 s TYR 227 CO 0.25 0.22 0.55 -1.83 -1.57 0.00 0.00 175.55 173.17 1h45 s GLU 228 N -3.20 1.83 0.06 -0.62 -1.05 -0.66 -4.32 118.70 110.74 1h45 s GLU 228 Ca 0.15 -1.48 0.06 0.00 -0.15 0.00 0.00 54.97 53.55 1h45 s GLU 228 Cb -0.02 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 1h45 s GLU 228 CO 0.04 -0.79 -0.12 -0.51 0.95 0.00 0.00 175.26 174.83 1h45 s LEU 229 N -3.11 2.91 -0.31 1.83 1.43 0.11 -1.41 118.68 120.14 1h45 s LEU 229 Ca 0.24 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 1h45 s LEU 229 Cb -0.02 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1h45 s LEU 229 CO 0.14 0.23 0.61 -0.76 0.23 0.00 0.00 176.35 176.79 1h45 s LEU 230 N -1.75 4.16 0.26 1.79 1.43 0.03 -1.72 118.68 122.87 1h45 s LEU 230 Ca 0.18 0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1h45 s LEU 230 Cb -0.11 -2.77 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1h45 s LEU 230 CO 0.09 -0.47 0.56 0.00 0.23 0.00 0.00 176.35 176.76 1h45 h PRO 232 N 2.20 0.00 -0.66 0.00 0.11 -1.86 -0.74 132.00 131.06 1h45 h PRO 232 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h45 h PRO 232 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1h45 h PRO 232 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1h45 n ASP 233 N -2.41 4.39 -3.20 -2.05 5.75 -1.26 -4.92 116.55 112.86 1h45 n ASP 233 Ca -0.02 -2.59 -0.17 0.00 -0.01 0.00 0.00 54.79 52.00 1h45 n ASP 233 Cb 0.04 -0.60 0.08 0.00 -1.03 0.00 0.00 41.12 39.61 1h45 n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1h45 n ASN 234 N 0.62 -3.28 -4.16 -1.12 3.02 -0.28 -5.04 115.26 105.01 1h45 n ASN 234 Ca 0.21 -0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 54.13 1h45 n ASN 234 Cb 0.90 -4.61 -0.10 0.00 -0.61 0.00 0.00 39.78 35.36 1h45 n ASN 234 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h45 s THR 235 N -3.31 0.35 0.05 3.41 -4.23 -1.23 -4.86 115.64 105.81 1h45 s THR 235 Ca 0.17 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1h45 s THR 235 Cb -0.07 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1h45 s THR 235 CO 0.65 -0.64 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.91 1h45 s ARG 236 N -3.96 2.48 0.13 3.99 0.52 -1.26 -0.15 118.95 120.70 1h45 s ARG 236 Ca 0.19 -0.81 -0.09 0.00 -0.52 0.00 0.00 55.73 54.50 1h45 s ARG 236 Cb 0.07 -2.48 -0.00 0.00 0.52 0.00 0.00 34.95 33.05 1h45 s ARG 236 CO -0.01 0.57 0.24 0.15 0.02 0.00 0.00 175.30 176.26 1h45 s LYS 237 N -1.84 1.00 0.48 3.54 1.02 -0.70 -4.94 119.74 118.30 1h45 s LYS 237 Ca 0.21 -1.07 -0.23 0.00 0.02 0.00 0.00 55.97 54.89 1h45 s LYS 237 Cb -0.11 0.36 -0.08 0.00 -0.52 0.00 0.00 37.83 37.48 1h45 s LYS 237 CO 0.12 -0.35 1.19 -2.30 -0.92 0.00 0.00 175.35 173.09 1h45 n PRO 238 N -0.14 1.60 0.26 -1.68 -0.02 -1.26 0.09 135.00 133.85 1h45 n PRO 238 Ca -0.11 0.58 0.16 0.00 -2.02 0.00 0.00 63.50 62.11 1h45 n PRO 238 Cb 0.63 -2.33 0.86 0.00 -0.02 0.00 0.00 33.50 32.64 1h45 n PRO 238 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1h45 h VAL 239 N 1.58 0.00 -0.01 -1.45 -1.51 -1.88 0.16 116.25 113.15 1h45 h VAL 239 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1h45 h VAL 239 Cb 1.32 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1h45 h VAL 239 CO 0.57 0.00 -0.15 -0.90 -1.23 0.00 0.00 177.57 175.86 1h45 n ASP 240 N -2.66 0.75 -1.87 4.19 5.68 -1.26 -3.78 116.55 117.61 1h45 n ASP 240 Ca -0.02 -0.79 -0.07 0.00 -0.50 0.00 0.00 54.79 53.41 1h45 n ASP 240 Cb 0.12 0.01 0.28 0.00 -1.14 0.00 0.00 41.12 40.39 1h45 n ASP 240 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1h45 n LYS 241 N -0.74 3.32 -0.05 0.11 4.76 0.57 -4.65 118.16 121.48 1h45 n LYS 241 Ca 0.14 -3.08 0.24 0.00 -2.87 0.00 0.00 58.31 52.75 1h45 n LYS 241 Cb 0.31 -2.15 0.72 0.00 -1.84 0.00 0.00 35.03 32.06 1h45 n LYS 241 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1h45 h PHE 242 N 2.25 0.00 0.00 2.13 -5.15 -1.72 0.55 116.94 115.00 1h45 h PHE 242 Ca 0.29 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.01 1h45 h PHE 242 Cb 2.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.44 1h45 h PHE 242 CO 1.24 0.00 -0.21 0.87 -2.00 0.00 0.00 178.31 178.21 1h45 h LYS 243 N 0.00 0.00 -0.36 6.09 1.57 -1.93 -1.95 116.57 119.99 1h45 h LYS 243 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1h45 h LYS 243 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1h45 h LYS 243 CO -0.00 0.21 0.00 -0.25 -0.57 0.00 0.00 179.45 178.84 1h45 n ASP 244 N -4.08 3.68 -2.77 0.86 8.00 0.13 -4.76 116.55 117.61 1h45 n ASP 244 Ca -0.02 -2.53 -0.07 0.00 0.71 0.00 0.00 54.79 52.88 1h45 n ASP 244 Cb 0.28 -0.43 0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1h45 n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h45 s HIS 246 N 0.73 0.64 -0.14 0.00 -3.43 -1.21 -4.56 115.29 107.33 1h45 s HIS 246 Ca 0.31 -1.06 0.16 0.00 -0.80 0.00 0.00 55.06 53.68 1h45 s HIS 246 Cb 0.14 -0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 30.89 1h45 s HIS 246 CO -0.17 -0.53 1.10 -0.07 -2.00 0.00 0.00 174.74 173.07 1h45 h LEU 247 N 2.86 0.00 -7.00 5.38 3.38 -1.31 -3.40 115.31 115.22 1h45 h LEU 247 Ca -0.34 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.83 1h45 h LEU 247 Cb 1.19 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.72 1h45 h LEU 247 CO 0.58 0.53 0.78 0.00 0.09 0.00 0.00 178.44 180.43 1h45 s ALA 248 N -2.95 -2.04 -0.22 1.53 0.00 -1.21 -5.00 121.76 111.87 1h45 s ALA 248 Ca 0.00 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.56 1h45 s ALA 248 Cb 0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1h45 s ALA 248 CO 0.78 -0.42 0.05 0.50 0.00 0.00 0.00 175.76 176.68 1h45 s ARG 249 N -1.69 3.74 0.08 0.00 3.52 -1.26 -1.10 118.95 122.24 1h45 s ARG 249 Ca 0.06 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.28 1h45 s ARG 249 Cb -0.01 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1h45 s ARG 249 CO -0.04 0.00 -0.18 0.14 -0.81 0.00 0.00 175.30 174.41 1h45 s VAL 250 N 1.08 1.43 0.41 7.11 -7.23 0.18 -4.76 120.40 118.62 1h45 s VAL 250 Ca 0.04 -1.38 -0.27 0.00 -1.81 0.00 0.00 61.98 58.56 1h45 s VAL 250 Cb -0.14 -1.32 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 1h45 s VAL 250 CO 0.03 -0.10 1.45 -2.16 -0.31 0.00 0.00 175.10 174.01 1h45 s PRO 251 N -1.73 3.92 0.90 4.82 0.04 -1.26 -0.68 135.00 141.02 1h45 s PRO 251 Ca 0.03 2.49 -0.10 0.00 0.04 0.00 0.00 61.00 63.46 1h45 s PRO 251 Cb -0.10 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.75 1h45 s PRO 251 CO 0.03 -0.65 1.14 -1.54 0.04 0.00 0.00 177.00 176.02 1h45 s SER 252 N -0.32 3.05 0.79 6.66 1.04 -0.87 -4.70 113.70 119.34 1h45 s SER 252 Ca 0.56 2.13 -0.14 0.00 0.48 0.00 0.00 55.95 58.99 1h45 s SER 252 Cb -0.45 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.19 1h45 s SER 252 CO 0.60 -3.01 1.22 -1.00 0.98 0.00 0.00 173.24 172.02 1h45 s HIS 253 N -2.68 1.84 0.05 5.02 3.76 -1.26 -4.70 115.29 117.31 1h45 s HIS 253 Ca 0.66 1.65 -0.10 0.00 -0.15 0.00 0.00 55.06 57.12 1h45 s HIS 253 Cb -0.22 -3.51 0.01 0.00 1.11 0.00 0.00 32.58 29.97 1h45 s HIS 253 CO 0.58 -2.85 0.21 0.00 -0.85 0.00 0.00 174.74 171.83 1h45 s ALA 254 N -2.06 -0.40 0.09 -1.40 0.00 -0.64 -1.15 121.76 116.20 1h45 s ALA 254 Ca 0.74 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1h45 s ALA 254 Cb -0.30 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1h45 s ALA 254 CO 0.49 -0.38 0.96 0.08 0.00 0.00 0.00 175.76 176.91 1h45 s VAL 255 N -2.69 4.58 0.25 0.00 1.01 0.91 -0.17 120.40 124.29 1h45 s VAL 255 Ca -0.04 2.06 0.09 0.00 0.00 0.00 0.00 61.98 64.09 1h45 s VAL 255 Cb -0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1h45 s VAL 255 CO -0.04 0.29 -0.03 0.68 0.00 0.00 0.00 175.10 176.00 1h45 s VAL 256 N 0.21 3.39 0.13 2.92 -7.23 0.10 -0.42 120.40 119.50 1h45 s VAL 256 Ca 0.48 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.60 1h45 s VAL 256 Cb -0.23 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 33.97 1h45 s VAL 256 CO 0.29 -0.33 0.42 0.00 -0.31 0.00 0.00 175.10 175.18 1h45 s ALA 257 N -2.22 -1.00 0.30 1.32 0.00 -0.37 -3.35 121.76 116.44 1h45 s ALA 257 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1h45 s ALA 257 Cb -0.07 0.72 -0.13 0.00 0.00 0.00 0.00 23.12 23.64 1h45 s ALA 257 CO 0.19 -0.66 1.21 0.54 0.00 0.00 0.00 175.76 177.04 1h45 n ARG 258 N -0.24 1.82 0.27 0.00 1.74 -1.26 -0.97 116.66 118.01 1h45 n ARG 258 Ca -0.16 0.64 0.16 0.00 -0.77 0.00 0.00 57.85 57.72 1h45 n ARG 258 Cb 0.64 -2.16 0.65 0.00 -1.02 0.00 0.00 32.46 30.56 1h45 n ARG 258 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1h45 h SER 259 N 2.69 0.00 -3.33 0.55 0.02 -1.84 -3.29 113.55 108.36 1h45 h SER 259 Ca -0.44 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.99 1h45 h SER 259 Cb 1.30 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.50 1h45 h SER 259 CO 0.64 0.05 -0.81 -0.69 -1.14 0.00 0.00 176.83 174.88 1h45 s VAL 260 N -3.69 1.10 -1.33 2.27 1.01 -1.26 -4.77 120.40 113.73 1h45 s VAL 260 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1h45 s VAL 260 Cb 0.09 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1h45 s VAL 260 CO 0.56 0.36 0.86 0.59 0.00 0.00 0.00 175.10 177.48 1h45 n ASN 261 N 4.24 -2.52 -1.11 3.32 3.02 -1.26 -4.91 115.26 116.04 1h45 n ASN 261 Ca -0.19 -0.74 0.10 0.00 -0.03 0.00 0.00 54.58 53.72 1h45 n ASN 261 Cb 0.51 -4.36 0.27 0.00 -0.61 0.00 0.00 39.78 35.59 1h45 n ASN 261 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h45 n GLY 262 N -1.54 1.77 2.92 7.41 0.00 -1.24 -4.91 105.19 109.60 1h45 n GLY 262 Ca -0.21 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1h45 n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h45 n LYS 263 N 1.28 -4.42 -0.31 1.61 5.02 -1.26 -4.57 118.16 115.51 1h45 n LYS 263 Ca 0.20 0.94 0.07 0.00 -2.02 0.00 0.00 58.31 57.50 1h45 n LYS 263 Cb 0.52 -5.77 0.23 0.00 -0.02 0.00 0.00 35.03 29.99 1h45 n LYS 263 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1h45 h GLU 264 N -1.18 0.67 -0.29 1.97 5.08 -1.92 -1.11 114.58 117.80 1h45 h GLU 264 Ca -0.53 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 57.65 1h45 h GLU 264 Cb 1.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1h45 h GLU 264 CO 0.58 0.44 -0.38 -0.44 -1.00 0.00 0.00 179.01 178.20 1h45 h ASP 265 N 0.69 0.71 0.08 1.42 5.19 -2.00 -1.73 116.42 120.78 1h45 h ASP 265 Ca 0.47 -0.31 -0.14 0.00 -0.62 0.00 0.00 57.03 56.43 1h45 h ASP 265 Cb 0.64 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1h45 h ASP 265 CO -0.35 1.02 -0.48 0.00 -3.12 0.00 0.00 179.24 176.31 1h45 h ALA 266 N 1.02 0.84 -0.39 3.45 0.00 -1.81 -1.56 119.26 120.81 1h45 h ALA 266 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1h45 h ALA 266 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1h45 h ALA 266 CO 0.08 0.66 0.05 0.82 0.00 0.00 0.00 179.25 180.86 1h45 h ILE 267 N 0.37 1.25 -0.44 0.00 2.04 -1.06 -1.52 117.51 118.14 1h45 h ILE 267 Ca 0.02 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 64.87 1h45 h ILE 267 Cb 0.98 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1h45 h ILE 267 CO 0.09 0.31 -0.18 -0.25 0.00 0.00 0.00 178.15 178.12 1h45 h TRP 268 N 0.49 0.97 -0.84 1.37 2.91 -1.21 -1.12 115.95 118.52 1h45 h TRP 268 Ca 0.12 -0.21 -0.01 0.00 1.13 0.00 0.00 58.89 59.91 1h45 h TRP 268 Cb 0.40 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.77 1h45 h TRP 268 CO 0.03 0.96 0.48 -0.91 -1.03 0.00 0.00 178.44 177.97 1h45 h ASN 269 N 0.76 1.04 -0.03 2.65 -0.26 -1.14 -0.11 115.58 118.49 1h45 h ASN 269 Ca 0.11 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1h45 h ASN 269 Cb 0.70 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1h45 h ASN 269 CO 0.05 0.83 0.01 0.25 -1.06 0.00 0.00 177.43 177.51 1h45 h LEU 270 N 1.17 0.04 -0.53 1.61 5.85 -1.01 -2.11 115.31 120.33 1h45 h LEU 270 Ca 0.30 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1h45 h LEU 270 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1h45 h LEU 270 CO -0.05 0.25 0.20 -0.07 -0.34 0.00 0.00 178.44 178.43 1h45 h LEU 271 N -0.18 0.74 -0.34 2.25 3.38 -0.97 0.14 115.31 120.33 1h45 h LEU 271 Ca 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1h45 h LEU 271 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1h45 h LEU 271 CO 0.00 0.72 0.17 -0.09 0.09 0.00 0.00 178.44 179.33 1h45 h ARG 272 N 0.72 0.49 -0.22 1.13 2.43 -1.04 0.80 114.38 118.69 1h45 h ARG 272 Ca 0.17 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 1h45 h ARG 272 Cb 0.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1h45 h ARG 272 CO -0.01 0.43 -0.62 1.96 -1.51 0.00 0.00 179.97 180.22 1h45 h GLN 273 N 0.42 0.75 -0.46 0.20 1.08 -1.28 -2.20 115.11 113.62 1h45 h GLN 273 Ca 0.12 -0.52 -0.08 0.00 -1.45 0.00 0.00 58.65 56.72 1h45 h GLN 273 Cb 0.10 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1h45 h GLN 273 CO -0.02 1.14 -0.03 0.00 -0.95 0.00 0.00 178.83 178.98 1h45 h ALA 274 N 0.73 1.09 -0.32 3.87 0.00 -0.58 0.12 119.26 124.17 1h45 h ALA 274 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1h45 h ALA 274 Cb 1.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1h45 h ALA 274 CO 0.13 0.57 0.04 0.37 0.00 0.00 0.00 179.25 180.36 1h45 h GLN 275 N 0.72 0.54 -0.70 0.00 4.15 -0.80 0.27 115.11 119.29 1h45 h GLN 275 Ca 0.14 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1h45 h GLN 275 Cb 0.48 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1h45 h GLN 275 CO 0.02 0.64 0.16 1.49 -1.93 0.00 0.00 178.83 179.22 1h45 h GLU 276 N 0.37 1.13 0.14 1.69 4.81 -0.98 0.14 114.58 121.88 1h45 h GLU 276 Ca 0.10 -0.28 -0.34 0.00 -0.13 0.00 0.00 59.36 58.71 1h45 h GLU 276 Cb 0.37 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1h45 h GLU 276 CO 0.01 1.00 -1.74 0.87 -0.73 0.00 0.00 179.01 178.41 1h45 h LYS 277 N 1.06 0.29 0.00 1.92 1.79 -0.73 -3.41 116.57 117.50 1h45 h LYS 277 Ca 0.22 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1h45 h LYS 277 Cb 0.38 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1h45 h LYS 277 CO 0.00 1.17 -0.12 1.19 -1.08 0.00 0.00 179.45 180.61 1h45 n PHE 278 N -3.48 0.00 -0.47 -1.35 3.72 0.93 -4.05 117.46 112.77 1h45 n PHE 278 Ca -0.23 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 1h45 n PHE 278 Cb 1.06 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 1h45 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h45 n GLY 279 N -0.98 -2.14 3.68 1.37 0.00 0.50 -1.31 105.19 106.31 1h45 n GLY 279 Ca 0.10 -1.48 -0.47 0.00 0.00 0.00 0.00 46.02 44.17 1h45 n GLY 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h45 n LYS 280 N -1.13 2.27 -2.08 1.61 4.76 -1.26 -1.50 118.16 120.84 1h45 n LYS 280 Ca 0.00 0.83 -0.21 0.00 -2.87 0.00 0.00 58.31 56.06 1h45 n LYS 280 Cb 0.00 -2.69 -0.04 0.00 -1.84 0.00 0.00 35.03 30.46 1h45 n LYS 280 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1h45 n ASP 281 N 6.45 -5.74 -0.03 4.39 8.00 -1.26 -4.89 116.55 123.48 1h45 n ASP 281 Ca 0.22 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.89 1h45 n ASP 281 Cb 0.31 -4.88 -0.13 0.00 -0.02 0.00 0.00 41.12 36.40 1h45 n ASP 281 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h45 n LYS 282 N -2.76 0.65 -3.72 -1.24 4.76 -0.56 -4.98 118.16 110.32 1h45 n LYS 282 Ca -0.23 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.14 1h45 n LYS 282 Cb 0.69 -1.65 -0.10 0.00 -1.84 0.00 0.00 35.03 32.13 1h45 n LYS 282 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1h45 s SER 283 N -5.43 -0.47 0.44 4.39 0.15 -1.26 -4.81 113.70 106.72 1h45 s SER 283 Ca -0.07 0.87 0.24 0.00 0.70 0.00 0.00 55.95 57.69 1h45 s SER 283 Cb 0.09 0.85 0.45 0.00 -1.71 0.00 0.00 66.02 65.69 1h45 s SER 283 CO 0.84 -0.16 1.64 -0.65 1.20 0.00 0.00 173.24 176.11 1h45 h PRO 284 N 5.89 0.00 0.00 5.44 0.11 -1.94 -3.33 132.00 138.16 1h45 h PRO 284 Ca -0.29 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.58 1h45 h PRO 284 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1h45 h PRO 284 CO 0.25 0.05 -1.45 0.87 -0.21 0.00 0.00 178.00 177.51 1h45 h LYS 285 N 0.00 0.00 -2.52 1.05 1.57 -1.98 -3.47 116.57 111.21 1h45 h LYS 285 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1h45 h LYS 285 Cb 0.97 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.05 1h45 h LYS 285 CO 0.01 0.54 -0.15 0.12 -0.57 0.00 0.00 179.45 179.40 1h45 s PHE 286 N -2.71 -0.58 -0.27 -1.35 5.36 -1.25 -5.12 117.98 112.06 1h45 s PHE 286 Ca -0.03 1.37 0.03 0.00 -0.96 0.00 0.00 56.93 57.34 1h45 s PHE 286 Cb 0.08 0.22 0.07 0.00 -0.34 0.00 0.00 43.02 43.05 1h45 s PHE 286 CO 0.82 -0.29 -0.08 -0.65 -1.46 0.00 0.00 175.22 173.56 1h45 s GLN 287 N 0.50 2.05 0.40 10.12 1.11 -1.26 -4.43 119.66 128.15 1h45 s GLN 287 Ca -0.02 -1.38 0.07 0.00 0.01 0.00 0.00 55.36 54.04 1h45 s GLN 287 Cb -0.04 -2.89 0.83 0.00 -1.01 0.00 0.00 33.01 29.90 1h45 s GLN 287 CO -0.02 -0.63 2.03 1.25 0.01 0.00 0.00 175.29 177.92 1h45 h LEU 288 N 7.77 0.44 -3.68 2.90 5.85 -1.50 -2.66 115.31 124.43 1h45 h LEU 288 Ca -0.17 -0.03 -0.35 0.00 0.84 0.00 0.00 57.88 58.18 1h45 h LEU 288 Cb 1.04 -0.11 -0.21 0.00 0.37 0.00 0.00 40.66 41.75 1h45 h LEU 288 CO 0.46 0.36 0.30 0.49 -0.34 0.00 0.00 178.44 179.71 1h45 n PHE 289 N -4.43 2.12 -4.29 1.25 3.72 -1.26 -4.71 117.46 109.85 1h45 n PHE 289 Ca 0.02 -1.72 -0.19 0.00 -0.05 0.00 0.00 57.45 55.52 1h45 n PHE 289 Cb 0.10 -0.73 -0.11 0.00 -0.94 0.00 0.00 39.48 37.81 1h45 n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1h45 s GLY 290 N -1.88 1.23 0.04 1.37 0.00 -1.00 -4.40 107.32 102.67 1h45 s GLY 290 Ca 0.51 -1.44 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1h45 s GLY 290 CO 0.06 -1.51 -0.11 -0.56 0.00 0.00 0.00 173.10 170.97 1h45 s SER 291 N -2.78 1.30 0.87 1.64 0.01 -1.26 -4.76 113.70 108.72 1h45 s SER 291 Ca 0.14 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.84 1h45 s SER 291 Cb -0.03 -0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.26 1h45 s SER 291 CO 0.04 -0.04 1.09 -2.16 0.41 0.00 0.00 173.24 172.58 1h45 s PRO 292 N -1.21 1.48 0.13 12.44 0.04 -1.26 -4.83 135.00 141.80 1h45 s PRO 292 Ca -0.02 0.91 -0.35 0.00 0.04 0.00 0.00 61.00 61.58 1h45 s PRO 292 Cb -0.08 -1.83 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 1h45 s PRO 292 CO 0.01 -2.11 1.27 0.45 0.04 0.00 0.00 177.00 176.66 1h45 n SER 293 N -3.81 1.57 0.00 6.66 2.88 -1.26 -0.45 113.62 119.22 1h45 n SER 293 Ca 0.08 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1h45 n SER 293 Cb 0.55 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1h45 n SER 293 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h45 n GLY 294 N 2.31 1.57 3.42 0.46 0.00 -1.26 -5.02 105.19 106.67 1h45 n GLY 294 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1h45 n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h45 s GLN 295 N -0.27 1.82 -0.00 1.61 -1.52 0.40 -5.14 119.66 116.55 1h45 s GLN 295 Ca 0.00 -1.13 0.02 0.00 -1.95 0.00 0.00 55.36 52.31 1h45 s GLN 295 Cb 0.00 -2.07 -0.01 0.00 -0.22 0.00 0.00 33.01 30.72 1h45 s GLN 295 CO 0.00 0.50 -0.07 0.15 -0.25 0.00 0.00 175.29 175.62 1h45 s LYS 296 N -1.65 0.57 -1.40 2.91 -0.14 -1.26 -4.50 119.74 114.27 1h45 s LYS 296 Ca 0.14 -0.27 -0.05 0.00 -1.36 0.00 0.00 55.97 54.44 1h45 s LYS 296 Cb -0.10 -0.54 0.00 0.00 -1.68 0.00 0.00 37.83 35.51 1h45 s LYS 296 CO 0.06 0.15 0.38 -0.25 -0.76 0.00 0.00 175.35 174.92 1h45 n ASP 297 N 2.86 -0.79 -4.66 2.83 8.00 -1.26 -4.90 116.55 118.62 1h45 n ASP 297 Ca -0.13 -1.09 -0.43 0.00 0.71 0.00 0.00 54.79 53.85 1h45 n ASP 297 Cb 0.57 -2.66 -0.02 0.00 -0.02 0.00 0.00 41.12 38.99 1h45 n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h45 s LEU 298 N -7.04 4.18 0.00 0.64 1.43 -1.26 -3.95 118.68 112.68 1h45 s LEU 298 Ca 0.08 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1h45 s LEU 298 Cb -0.04 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1h45 s LEU 298 CO 0.92 -0.72 0.00 0.18 0.23 0.00 0.00 176.35 176.96 1h45 n LEU 299 N 6.35 0.00 -4.09 1.79 4.77 -1.26 -4.79 117.00 119.77 1h45 n LEU 299 Ca 0.13 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1h45 n LEU 299 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1h45 n LEU 299 CO 0.55 0.00 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.90 1h45 s PHE 300 N 0.00 0.53 0.47 -1.77 0.08 -1.25 -4.44 117.98 111.59 1h45 s PHE 300 Ca 0.00 -1.07 -0.24 0.00 0.12 0.00 0.00 56.93 55.74 1h45 s PHE 300 Cb 0.00 -0.39 -0.07 0.00 -0.57 0.00 0.00 43.02 41.99 1h45 s PHE 300 CO 0.00 -0.39 1.34 0.15 -0.10 0.00 0.00 175.22 176.22 1h45 s LYS 301 N -3.92 3.61 0.52 0.44 1.02 -1.26 -4.33 119.74 115.81 1h45 s LYS 301 Ca 0.08 2.21 0.33 0.00 0.02 0.00 0.00 55.97 58.61 1h45 s LYS 301 Cb 0.08 -2.53 1.35 0.00 -0.52 0.00 0.00 37.83 36.21 1h45 s LYS 301 CO -0.10 -0.81 1.96 -0.44 -0.92 0.00 0.00 175.35 175.05 1h45 h ASP 302 N 2.13 0.00 0.44 2.83 3.32 -1.89 -2.27 116.42 120.98 1h45 h ASP 302 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1h45 h ASP 302 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1h45 h ASP 302 CO 0.60 0.00 -0.23 -1.54 -1.72 0.00 0.00 179.24 176.35 1h45 n SER 303 N -2.99 0.57 -4.77 6.45 3.41 -1.26 -4.80 113.62 110.23 1h45 n SER 303 Ca 0.01 -0.45 -0.38 0.00 -0.26 0.00 0.00 58.87 57.79 1h45 n SER 303 Cb 0.29 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1h45 n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h45 s ALA 304 N -2.67 3.15 0.00 7.33 0.00 -0.85 -4.59 121.76 124.13 1h45 s ALA 304 Ca 0.22 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1h45 s ALA 304 Cb 0.19 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1h45 s ALA 304 CO 0.55 -0.50 0.49 0.44 0.00 0.00 0.00 175.76 176.74 1h45 n ILE 305 N 0.07 0.11 -3.13 0.00 -5.35 0.68 -4.85 119.36 106.89 1h45 n ILE 305 Ca 0.04 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1h45 n ILE 305 Cb 0.47 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1h45 n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h45 n GLY 306 N -0.06 -1.43 3.31 3.28 0.00 -1.24 -4.65 105.19 104.40 1h45 n GLY 306 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1h45 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h45 s PHE 307 N -2.87 1.61 -0.12 1.61 0.08 -1.26 -0.25 117.98 116.78 1h45 s PHE 307 Ca 0.00 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 1h45 s PHE 307 Cb 0.00 -0.78 0.04 0.00 -0.57 0.00 0.00 43.02 41.71 1h45 s PHE 307 CO 0.00 0.28 0.00 0.45 -0.10 0.00 0.00 175.22 175.85 1h45 s SER 308 N -3.03 2.16 0.25 1.36 0.15 -0.33 -4.86 113.70 109.40 1h45 s SER 308 Ca 0.18 -0.39 -0.30 0.00 0.70 0.00 0.00 55.95 56.14 1h45 s SER 308 Cb -0.02 -0.56 -0.10 0.00 -1.71 0.00 0.00 66.02 63.63 1h45 s SER 308 CO 0.05 -0.22 1.47 -0.60 1.20 0.00 0.00 173.24 175.13 1h45 s ARG 309 N 1.89 4.25 -0.06 5.44 3.52 -1.26 -1.11 118.95 131.61 1h45 s ARG 309 Ca 0.03 2.34 -0.26 0.00 -0.13 0.00 0.00 55.73 57.71 1h45 s ARG 309 Cb -0.14 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1h45 s ARG 309 CO -0.07 -0.46 0.83 0.08 -0.81 0.00 0.00 175.30 174.88 1h45 s VAL 310 N 0.04 4.95 0.64 7.11 1.01 0.17 -4.89 120.40 129.43 1h45 s VAL 310 Ca 0.60 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 64.11 1h45 s VAL 310 Cb -0.43 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 1h45 s VAL 310 CO 0.43 0.17 0.76 -2.65 0.00 0.00 0.00 175.10 173.81 1h45 n PRO 311 N 4.13 0.60 -1.10 2.72 -0.02 -1.26 -4.88 135.00 135.19 1h45 n PRO 311 Ca 0.03 0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1h45 n PRO 311 Cb 0.51 -1.98 0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1h45 n PRO 311 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1h45 s PRO 312 N -2.68 1.77 -1.94 0.52 0.04 -1.26 -3.48 135.00 127.98 1h45 s PRO 312 Ca 0.72 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1h45 s PRO 312 Cb -0.40 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1h45 s PRO 312 CO 0.51 -2.05 0.00 0.54 0.04 0.00 0.00 177.00 176.04 1h45 n ARG 313 N -3.58 -1.40 -3.59 4.56 1.74 -1.26 -4.96 116.66 108.16 1h45 n ARG 313 Ca 0.11 1.11 -0.41 0.00 -0.77 0.00 0.00 57.85 57.90 1h45 n ARG 313 Cb 0.52 -5.50 -0.11 0.00 -1.02 0.00 0.00 32.46 26.35 1h45 n ARG 313 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1h45 s ILE 314 N -2.79 4.60 0.60 0.55 -1.09 -1.23 -5.08 121.20 116.77 1h45 s ILE 314 Ca 0.00 -0.86 -0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1h45 s ILE 314 Cb 0.00 -3.57 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 1h45 s ILE 314 CO 0.00 -0.25 0.84 1.51 -1.23 0.00 0.00 174.94 175.82 1h45 s ASP 315 N 1.56 5.09 0.23 3.58 1.47 -1.26 -4.46 116.67 122.88 1h45 s ASP 315 Ca 0.02 0.03 -0.12 0.00 1.18 0.00 0.00 52.55 53.66 1h45 s ASP 315 Cb -0.19 -0.81 0.31 0.00 -0.34 0.00 0.00 42.92 41.89 1h45 s ASP 315 CO 0.07 -1.31 1.60 0.77 0.68 0.00 0.00 175.17 176.99 1h45 h SER 316 N -0.12 -0.71 -0.40 2.11 4.64 -1.89 0.03 113.55 117.22 1h45 h SER 316 Ca -0.42 0.23 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1h45 h SER 316 Cb 1.30 0.47 -0.08 0.00 -0.31 0.00 0.00 62.40 63.78 1h45 h SER 316 CO 0.52 -0.25 -0.12 1.23 -0.87 0.00 0.00 176.83 177.34 1h45 h GLY 317 N -0.00 0.26 1.30 -0.77 0.00 -1.93 -1.54 103.07 100.39 1h45 h GLY 317 Ca 0.36 0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.70 1h45 h GLY 317 CO -0.78 -0.16 -0.39 1.41 0.00 0.00 0.00 176.54 176.62 1h45 h LEU 318 N -0.02 0.81 -0.34 3.11 3.38 -1.54 -2.30 115.31 118.42 1h45 h LEU 318 Ca 0.19 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1h45 h LEU 318 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1h45 h LEU 318 CO -0.42 1.10 0.19 0.22 0.09 0.00 0.00 178.44 179.62 1h45 h TYR 319 N 0.63 0.36 0.00 1.13 3.20 -0.54 -3.01 116.97 118.74 1h45 h TYR 319 Ca 0.05 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 1h45 h TYR 319 Cb 0.94 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1h45 h TYR 319 CO 0.05 0.21 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.14 1h45 h LEU 320 N 0.39 0.00 -1.07 2.82 3.38 -1.28 -3.33 115.31 116.21 1h45 h LEU 320 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h45 h LEU 320 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h45 h LEU 320 CO -0.07 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1h45 n GLY 321 N 0.44 1.27 2.67 0.83 0.00 -0.87 -4.13 105.19 105.40 1h45 n GLY 321 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1h45 n GLY 321 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h45 n SER 322 N 0.12 -1.34 0.00 1.61 3.41 -1.25 -5.06 113.62 111.11 1h45 n SER 322 Ca 0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1h45 n SER 322 Cb 0.22 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1h45 n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49