#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3m s ASP 7 N 0.00 6.86 -0.04 -1.43 1.01 -1.26 -4.84 116.67 116.96 1h3m s ASP 7 Ca 0.00 2.42 0.02 0.00 0.71 0.00 0.00 52.55 55.70 1h3m s ASP 7 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1h3m s ASP 7 CO 0.00 -0.44 -0.08 -0.69 0.21 0.00 0.00 175.17 174.16 1h3m s VAL 8 N -1.25 0.80 -0.13 -1.27 1.01 -0.43 -3.91 120.40 115.23 1h3m s VAL 8 Ca 0.50 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1h3m s VAL 8 Cb -0.34 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1h3m s VAL 8 CO 0.44 0.27 0.15 0.00 0.00 0.00 0.00 175.10 175.96 1h3m s ALA 10 N -0.66 3.94 -0.09 0.00 0.00 -0.36 -0.48 121.76 124.11 1h3m s ALA 10 Ca 0.14 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1h3m s ALA 10 Cb -0.12 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.09 1h3m s ALA 10 CO 0.03 0.75 -0.11 0.08 0.00 0.00 0.00 175.76 176.51 1h3m s VAL 11 N -1.45 1.17 -0.28 0.00 1.01 0.16 0.46 120.40 121.47 1h3m s VAL 11 Ca 0.33 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1h3m s VAL 11 Cb -0.13 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1h3m s VAL 11 CO 0.23 0.38 -0.00 -0.69 0.00 0.00 0.00 175.10 175.01 1h3m s VAL 12 N 1.11 3.20 -0.59 2.92 1.01 0.86 -0.85 120.40 128.07 1h3m s VAL 12 Ca -0.06 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 1h3m s VAL 12 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1h3m s VAL 12 CO -0.02 0.07 1.30 -2.16 0.00 0.00 0.00 175.10 174.29 1h3m s PRO 13 N 1.35 3.39 -0.27 2.72 0.05 -1.25 -1.28 135.00 139.71 1h3m s PRO 13 Ca -0.01 0.29 0.09 0.00 0.05 0.00 0.00 61.00 61.42 1h3m s PRO 13 Cb -0.18 -4.08 0.48 0.00 0.05 0.00 0.00 34.50 30.78 1h3m s PRO 13 CO -0.02 -1.84 1.40 0.00 0.05 0.00 0.00 177.00 176.60 1h3m n ALA 14 N 9.03 4.20 0.00 8.56 0.00 -0.58 -4.11 120.51 137.61 1h3m n ALA 14 Ca 0.10 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1h3m n ALA 14 Cb 0.49 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1h3m n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3m n ALA 15 N -1.12 0.00 -1.63 0.00 0.00 -1.21 -4.42 120.51 112.13 1h3m n ALA 15 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 1h3m n ALA 15 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.36 1h3m n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3m s PRO 26 N 5.56 4.35 0.56 0.00 0.02 -1.26 -4.91 135.00 139.32 1h3m s PRO 26 Ca 0.96 2.15 0.25 0.00 0.02 0.00 0.00 61.00 64.38 1h3m s PRO 26 Cb -0.37 -3.15 1.60 0.00 0.02 0.00 0.00 34.50 32.60 1h3m s PRO 26 CO 0.38 -0.30 2.19 0.87 -0.33 0.00 0.00 177.00 179.81 1h3m h LYS 27 N 5.03 0.00 0.00 5.54 1.79 -1.94 -1.23 116.57 125.77 1h3m h LYS 27 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1h3m h LYS 27 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1h3m h LYS 27 CO 0.76 0.00 0.00 -0.56 -1.08 0.00 0.00 179.45 178.57 1h3m h GLN 28 N 0.00 0.00 -0.19 3.15 -0.00 -1.87 -2.42 115.11 113.78 1h3m h GLN 28 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1h3m h GLN 28 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 1h3m h GLN 28 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 1h3m n TYR 29 N -2.78 0.24 -1.89 0.06 0.53 -0.46 -1.43 117.16 111.43 1h3m n TYR 29 Ca -0.01 -0.12 -0.32 0.00 -1.02 0.00 0.00 57.90 56.44 1h3m n TYR 29 Cb 0.17 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.50 1h3m n TYR 29 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1h3m s LEU 30 N -1.64 3.37 -0.03 7.72 1.43 -0.91 -4.85 118.68 123.76 1h3m s LEU 30 Ca 0.34 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.24 1h3m s LEU 30 Cb 0.19 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 1h3m s LEU 30 CO 0.29 -1.24 -0.25 -0.44 0.23 0.00 0.00 176.35 174.94 1h3m s SER 31 N -3.18 2.98 -0.31 2.29 0.01 -1.26 -0.74 113.70 113.49 1h3m s SER 31 Ca 0.61 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1h3m s SER 31 Cb -0.15 -0.49 0.07 0.00 0.21 0.00 0.00 66.02 65.66 1h3m s SER 31 CO 0.43 0.29 0.01 -0.63 0.41 0.00 0.00 173.24 173.75 1h3m s ILE 32 N -0.45 2.72 0.00 1.44 1.01 -0.13 -4.91 121.20 120.87 1h3m s ILE 32 Ca 0.05 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.00 1h3m s ILE 32 Cb -0.11 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1h3m s ILE 32 CO 0.01 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1h3m n GLY 33 N 4.51 3.77 0.42 6.18 0.00 -1.26 -2.73 105.19 116.08 1h3m n GLY 33 Ca -0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1h3m n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1h3m h ASN 34 N 0.00 -1.97 -3.60 1.61 -1.07 -2.04 -3.46 115.58 105.05 1h3m h ASN 34 Ca 0.00 0.30 -0.39 0.00 0.07 0.00 0.00 56.30 56.28 1h3m h ASN 34 Cb 0.00 0.87 -0.14 0.00 -2.07 0.00 0.00 38.32 36.98 1h3m h ASN 34 CO 0.00 -0.28 -0.70 -1.10 0.07 0.00 0.00 177.43 175.42 1h3m s GLN 35 N -5.61 1.27 0.79 4.14 -0.21 -1.10 -5.12 119.66 113.82 1h3m s GLN 35 Ca -0.13 -1.60 -0.13 0.00 0.02 0.00 0.00 55.36 53.53 1h3m s GLN 35 Cb 0.12 -0.82 0.07 0.00 1.00 0.00 0.00 33.01 33.38 1h3m s GLN 35 CO 0.63 0.05 1.16 0.95 -2.12 0.00 0.00 175.29 175.96 1h3m s THR 36 N -3.22 2.48 0.30 -0.19 -4.23 -1.26 -0.96 115.64 108.56 1h3m s THR 36 Ca 0.23 0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 1h3m s THR 36 Cb 0.03 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.59 1h3m s THR 36 CO 0.06 -0.17 1.77 0.40 -0.54 0.00 0.00 174.62 176.15 1h3m h ILE 37 N -0.91 0.71 -0.57 2.99 2.04 -0.89 -0.78 117.51 120.10 1h3m h ILE 37 Ca -0.45 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1h3m h ILE 37 Cb 1.27 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1h3m h ILE 37 CO 0.48 0.13 0.36 0.25 0.00 0.00 0.00 178.15 179.37 1h3m h LEU 38 N 0.74 0.67 -0.58 1.44 5.85 -1.34 -1.75 115.31 120.34 1h3m h LEU 38 Ca 0.56 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 59.17 1h3m h LEU 38 Cb 0.86 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1h3m h LEU 38 CO -0.38 0.51 0.07 -0.33 -0.34 0.00 0.00 178.44 177.97 1h3m h GLU 39 N 0.77 0.97 -0.17 1.25 5.08 -1.46 -1.77 114.58 119.25 1h3m h GLU 39 Ca 0.21 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1h3m h GLU 39 Cb -0.05 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1h3m h GLU 39 CO -0.04 0.93 -0.10 0.45 -1.00 0.00 0.00 179.01 179.26 1h3m h HIS 40 N 0.87 -0.23 0.49 4.33 3.86 -1.07 0.62 115.15 124.01 1h3m h HIS 40 Ca 0.17 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1h3m h HIS 40 Cb 0.45 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1h3m h HIS 40 CO 0.03 -0.15 -0.23 0.77 0.86 0.00 0.00 177.93 179.21 1h3m h SER 41 N -0.09 -0.56 -0.31 2.45 0.02 -1.20 -0.47 113.55 113.39 1h3m h SER 41 Ca 0.10 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1h3m h SER 41 Cb 0.23 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 1h3m h SER 41 CO -0.23 -0.37 -0.05 0.58 -1.14 0.00 0.00 176.83 175.62 1h3m h VAL 42 N -0.69 0.71 0.00 2.27 2.07 -1.33 -2.67 116.25 116.62 1h3m h VAL 42 Ca -0.07 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1h3m h VAL 42 Cb 0.52 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1h3m h VAL 42 CO 0.11 0.01 -0.14 0.45 0.02 0.00 0.00 177.57 178.02 1h3m h HIS 43 N 0.03 0.00 0.00 1.57 3.86 -0.43 0.14 115.15 120.31 1h3m h HIS 43 Ca 0.15 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1h3m h HIS 43 Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1h3m h HIS 43 CO -0.27 0.14 -0.48 0.00 0.86 0.00 0.00 177.93 178.18 1h3m h ALA 44 N 1.86 1.18 0.21 2.45 0.00 -0.76 -2.36 119.26 121.84 1h3m h ALA 44 Ca -0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 1h3m h ALA 44 Cb 0.26 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.01 1h3m h ALA 44 CO 0.02 0.59 -1.20 -0.07 0.00 0.00 0.00 179.25 178.59 1h3m h LEU 45 N 0.00 0.69 -2.40 0.00 3.38 -0.52 -3.26 115.31 113.19 1h3m h LEU 45 Ca -0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1h3m h LEU 45 Cb 0.86 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1h3m h LEU 45 CO 0.06 1.58 0.00 -0.07 0.09 0.00 0.00 178.44 180.10 1h3m h LEU 46 N -0.08 0.00 -0.33 1.67 3.38 -1.19 -2.34 115.31 116.43 1h3m h LEU 46 Ca -0.21 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1h3m h LEU 46 Cb 1.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 1h3m h LEU 46 CO 0.22 0.00 0.08 0.00 0.09 0.00 0.00 178.44 178.83 1h3m h ALA 47 N 2.01 0.35 -2.61 1.53 0.00 -1.47 -3.42 119.26 115.65 1h3m h ALA 47 Ca 0.00 0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 1h3m h ALA 47 Cb 0.16 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.03 1h3m h ALA 47 CO 0.00 -0.33 0.66 -1.58 0.00 0.00 0.00 179.25 178.00 1h3m s HIS 48 N -6.17 3.29 0.27 0.00 5.65 -0.88 -4.91 115.29 112.53 1h3m s HIS 48 Ca -0.13 1.16 0.30 0.00 0.25 0.00 0.00 55.06 56.64 1h3m s HIS 48 Cb 0.12 -3.59 1.38 0.00 -1.18 0.00 0.00 32.58 29.31 1h3m s HIS 48 CO 0.70 -1.91 2.01 -1.35 -0.65 0.00 0.00 174.74 173.54 1h3m h PRO 49 N 5.99 0.00 0.00 2.88 0.11 -1.88 -1.97 132.00 137.13 1h3m h PRO 49 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1h3m h PRO 49 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h3m h PRO 49 CO 0.80 0.10 -0.01 0.00 -0.21 0.00 0.00 178.00 178.69 1h3m h ARG 50 N 0.00 0.00 -5.40 1.05 3.08 -1.91 -3.41 114.38 107.79 1h3m h ARG 50 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1h3m h ARG 50 Cb 0.47 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.37 1h3m h ARG 50 CO 0.01 0.01 0.38 0.08 -1.07 0.00 0.00 179.97 179.38 1h3m s VAL 51 N -3.59 4.53 -0.16 2.04 1.01 -0.74 -1.31 120.40 122.18 1h3m s VAL 51 Ca 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1h3m s VAL 51 Cb 0.08 -4.51 -0.23 0.00 0.00 0.00 0.00 36.38 31.72 1h3m s VAL 51 CO 0.57 -1.13 0.22 0.29 0.00 0.00 0.00 175.10 175.05 1h3m n LYS 52 N 7.10 0.71 -4.15 2.72 4.76 -1.01 -4.79 118.16 123.50 1h3m n LYS 52 Ca -0.03 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.56 1h3m n LYS 52 Cb 0.46 -1.68 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 1h3m n LYS 52 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1h3m s ARG 53 N -2.53 0.77 -0.20 1.97 1.70 -1.26 -4.77 118.95 114.62 1h3m s ARG 53 Ca -0.26 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 1h3m s ARG 53 Cb 0.07 -0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.11 1h3m s ARG 53 CO 0.71 0.04 -0.15 0.08 -1.08 0.00 0.00 175.30 174.90 1h3m s VAL 54 N -2.58 2.32 -0.22 4.99 1.01 0.38 -1.22 120.40 125.08 1h3m s VAL 54 Ca 0.04 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1h3m s VAL 54 Cb -0.02 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1h3m s VAL 54 CO -0.01 0.40 0.44 -0.69 0.00 0.00 0.00 175.10 175.24 1h3m s VAL 55 N 1.29 5.15 -0.22 2.92 1.01 0.17 -1.59 120.40 129.13 1h3m s VAL 55 Ca 0.02 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1h3m s VAL 55 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1h3m s VAL 55 CO -0.10 0.19 -0.07 -0.63 0.00 0.00 0.00 175.10 174.49 1h3m s ILE 56 N 1.71 3.06 -0.14 2.22 1.01 0.65 -0.09 121.20 129.62 1h3m s ILE 56 Ca 0.20 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 1h3m s ILE 56 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1h3m s ILE 56 CO 0.09 0.40 0.85 0.00 0.00 0.00 0.00 174.94 176.28 1h3m s ALA 57 N 1.42 3.45 -0.06 9.38 0.00 -0.40 -1.50 121.76 134.06 1h3m s ALA 57 Ca 0.05 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1h3m s ALA 57 Cb -0.14 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 1h3m s ALA 57 CO -0.05 -0.55 -0.18 0.42 0.00 0.00 0.00 175.76 175.40 1h3m s ILE 58 N 1.89 1.50 0.49 0.00 1.09 0.11 -1.52 121.20 124.76 1h3m s ILE 58 Ca 0.41 -0.74 -0.22 0.00 -1.10 0.00 0.00 60.65 59.00 1h3m s ILE 58 Cb -0.17 -1.30 -0.06 0.00 -1.06 0.00 0.00 42.46 39.86 1h3m s ILE 58 CO 0.15 0.43 1.19 -0.94 -0.10 0.00 0.00 174.94 175.68 1h3m s SER 59 N 0.19 5.90 0.22 3.58 1.04 -1.26 -0.81 113.70 122.56 1h3m s SER 59 Ca -0.08 2.37 0.21 0.00 0.48 0.00 0.00 55.95 58.93 1h3m s SER 59 Cb -0.13 -2.60 0.92 0.00 0.10 0.00 0.00 66.02 64.30 1h3m s SER 59 CO 0.04 -1.11 1.65 -2.65 0.98 0.00 0.00 173.24 172.14 1h3m n PRO 60 N -0.76 0.15 -0.02 4.02 -0.02 -1.26 -2.52 135.00 134.60 1h3m n PRO 60 Ca 0.09 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1h3m n PRO 60 Cb 0.48 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 1h3m n PRO 60 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1h3m h GLY 61 N 1.93 -0.00 -4.49 -1.23 0.00 -2.01 -3.46 103.07 93.82 1h3m h GLY 61 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1h3m h GLY 61 CO 0.00 -0.00 0.84 1.34 0.00 0.00 0.00 176.54 178.72 1h3m n ASP 62 N -4.83 0.48 -0.00 0.19 -0.08 -1.05 -4.88 116.55 106.39 1h3m n ASP 62 Ca -0.09 0.44 0.08 0.00 -1.51 0.00 0.00 54.79 53.71 1h3m n ASP 62 Cb 0.28 -0.58 -0.11 0.00 2.34 0.00 0.00 41.12 43.05 1h3m n ASP 62 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1h3m n SER 63 N 4.78 0.93 0.20 1.67 3.41 -1.26 -4.53 113.62 118.81 1h3m n SER 63 Ca 0.35 -0.51 0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1h3m n SER 63 Cb -0.03 1.33 0.35 0.00 -0.26 0.00 0.00 64.21 65.60 1h3m n SER 63 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1h3m h ARG 64 N 0.00 0.00 -0.26 4.33 3.08 -2.00 -3.30 114.38 116.23 1h3m h ARG 64 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1h3m h ARG 64 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1h3m h ARG 64 CO 0.00 0.30 -0.59 0.35 -1.07 0.00 0.00 179.97 178.96 1h3m h PHE 65 N 0.00 1.10 0.00 3.04 3.57 -1.99 -3.15 116.94 119.51 1h3m h PHE 65 Ca -0.00 -0.41 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1h3m h PHE 65 Cb 0.89 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1h3m h PHE 65 CO 0.00 1.24 -0.10 0.00 -2.23 0.00 0.00 178.31 177.22 1h3m h ALA 66 N 0.65 1.61 -0.10 2.41 0.00 -1.87 -2.51 119.26 119.46 1h3m h ALA 66 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1h3m h ALA 66 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1h3m h ALA 66 CO 0.13 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1h3m n GLN 67 N -4.10 1.54 -3.67 0.00 10.64 -1.19 -4.73 117.38 115.87 1h3m n GLN 67 Ca -0.02 -0.81 -0.29 0.00 -1.83 0.00 0.00 57.00 54.05 1h3m n GLN 67 Cb 0.19 -1.39 -0.04 0.00 -0.86 0.00 0.00 30.24 28.14 1h3m n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1h3m s LEU 68 N -1.66 4.24 0.32 2.61 1.43 -0.94 -5.01 118.68 119.67 1h3m s LEU 68 Ca 0.33 0.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 1h3m s LEU 68 Cb 0.17 -3.24 0.81 0.00 0.03 0.00 0.00 46.19 43.96 1h3m s LEU 68 CO 0.27 -0.01 1.77 -0.65 0.23 0.00 0.00 176.35 177.96 1h3m h PRO 69 N 2.36 0.67 -0.13 1.29 0.11 -1.90 -0.40 132.00 134.00 1h3m h PRO 69 Ca -0.47 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1h3m h PRO 69 Cb 1.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1h3m h PRO 69 CO 0.70 0.44 0.32 -0.07 -0.21 0.00 0.00 178.00 179.18 1h3m h LEU 70 N 0.69 0.00 -1.89 2.35 3.38 -1.95 -1.61 115.31 116.29 1h3m h LEU 70 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1h3m h LEU 70 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1h3m h LEU 70 CO -0.38 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.15 1h3m h ALA 71 N 1.49 1.00 0.00 1.53 0.00 -1.25 -3.09 119.26 118.94 1h3m h ALA 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h3m h ALA 71 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1h3m h ALA 71 CO -0.00 0.00 -0.01 0.09 0.00 0.00 0.00 179.25 179.33 1h3m n ASN 72 N -2.82 1.26 -4.77 0.00 5.03 -0.63 -5.03 115.26 108.31 1h3m n ASN 72 Ca -0.01 -1.69 -0.41 0.00 0.87 0.00 0.00 54.58 53.34 1h3m n ASN 72 Cb 0.17 -0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 38.89 1h3m n ASN 72 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1h3m s HIS 73 N -0.70 2.87 -0.02 3.10 2.46 -1.09 -4.94 115.29 116.97 1h3m s HIS 73 Ca 0.01 1.25 0.27 0.00 0.47 0.00 0.00 55.06 57.07 1h3m s HIS 73 Cb 0.01 -3.84 0.94 0.00 -0.13 0.00 0.00 32.58 29.56 1h3m s HIS 73 CO 0.00 -2.44 1.83 -1.35 -2.47 0.00 0.00 174.74 170.30 1h3m h PRO 74 N 3.53 0.00 -0.61 2.88 0.11 -1.94 -3.11 132.00 132.87 1h3m h PRO 74 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1h3m h PRO 74 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1h3m h PRO 74 CO 0.67 0.09 0.00 1.04 -0.21 0.00 0.00 178.00 179.59 1h3m n GLN 75 N -3.18 2.43 -4.41 1.05 6.02 -1.26 -4.88 117.38 113.15 1h3m n GLN 75 Ca 0.01 -2.23 -0.34 0.00 -0.01 0.00 0.00 57.00 54.44 1h3m n GLN 75 Cb 0.42 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 30.07 1h3m n GLN 75 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h3m s ILE 76 N -1.19 3.93 -0.09 5.09 1.09 -1.18 -0.47 121.20 128.39 1h3m s ILE 76 Ca 0.41 -0.35 0.03 0.00 -1.10 0.00 0.00 60.65 59.64 1h3m s ILE 76 Cb 0.22 -2.71 -0.02 0.00 -1.06 0.00 0.00 42.46 38.89 1h3m s ILE 76 CO 0.28 0.51 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.57 1h3m s THR 77 N 0.19 2.71 -0.15 2.92 2.01 -0.62 -4.84 115.64 117.86 1h3m s THR 77 Ca -0.02 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 1h3m s THR 77 Cb -0.14 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 1h3m s THR 77 CO 0.03 0.56 0.17 0.54 -0.69 0.00 0.00 174.62 175.23 1h3m s VAL 78 N -0.10 5.41 0.30 3.82 0.11 -1.26 -0.25 120.40 128.43 1h3m s VAL 78 Ca -0.03 0.29 0.10 0.00 -2.93 0.00 0.00 61.98 59.41 1h3m s VAL 78 Cb -0.14 -3.48 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1h3m s VAL 78 CO 0.04 0.51 -0.09 0.68 -3.33 0.00 0.00 175.10 172.91 1h3m s VAL 79 N -0.21 2.71 -0.07 2.04 -7.23 -0.56 -4.94 120.40 112.14 1h3m s VAL 79 Ca 0.13 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 1h3m s VAL 79 Cb -0.12 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1h3m s VAL 79 CO 0.02 -0.32 1.42 -0.62 -0.31 0.00 0.00 175.10 175.29 1h3m s ASP 80 N -3.61 6.84 0.72 4.85 3.68 -1.26 -0.72 116.67 127.17 1h3m s ASP 80 Ca 0.32 1.99 -0.14 0.00 2.13 0.00 0.00 52.55 56.86 1h3m s ASP 80 Cb -0.03 -2.54 0.04 0.00 -1.45 0.00 0.00 42.92 38.93 1h3m s ASP 80 CO 0.17 -0.79 1.13 -0.83 0.13 0.00 0.00 175.17 174.98 1h3m s GLY 81 N 2.34 2.04 0.00 2.66 0.00 0.01 -4.74 107.32 109.63 1h3m s GLY 81 Ca 0.63 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.91 1h3m s GLY 81 CO 0.23 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.87 1h3m n GLY 82 N -0.41 2.88 0.18 0.20 0.00 -1.26 -4.73 105.19 102.05 1h3m n GLY 82 Ca 0.11 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1h3m n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h3m h ASP 83 N 0.00 0.52 -3.13 1.61 5.19 -1.96 -3.46 116.42 115.19 1h3m h ASP 83 Ca 0.00 -0.28 -0.47 0.00 -0.62 0.00 0.00 57.03 55.66 1h3m h ASP 83 Cb 0.00 -0.14 -0.14 0.00 0.18 0.00 0.00 39.33 39.23 1h3m h ASP 83 CO 0.00 0.67 -0.69 -1.61 -3.12 0.00 0.00 179.24 174.49 1h3m s GLU 84 N -5.10 1.45 0.20 3.56 2.02 -1.26 -5.04 118.70 114.54 1h3m s GLU 84 Ca -0.13 -1.71 -0.16 0.00 0.02 0.00 0.00 54.97 52.98 1h3m s GLU 84 Cb 0.09 -1.08 0.20 0.00 0.10 0.00 0.00 34.13 33.44 1h3m s GLU 84 CO 0.76 0.07 1.39 -2.13 0.02 0.00 0.00 175.26 175.37 1h3m n ARG 85 N -0.50 -0.22 0.06 1.61 0.63 -1.26 -1.66 116.66 115.32 1h3m n ARG 85 Ca -0.06 1.38 0.04 0.00 -0.92 0.00 0.00 57.85 58.29 1h3m n ARG 85 Cb 0.62 -2.05 0.43 0.00 0.45 0.00 0.00 32.46 31.92 1h3m n ARG 85 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h3m h ALA 86 N 1.20 1.68 -0.47 5.13 0.00 -1.92 -1.37 119.26 123.50 1h3m h ALA 86 Ca 0.30 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1h3m h ALA 86 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1h3m h ALA 86 CO -0.89 0.27 -0.05 -0.44 0.00 0.00 0.00 179.25 178.13 1h3m h ASP 87 N 0.42 0.86 -0.12 0.00 3.32 -1.70 -2.05 116.42 117.15 1h3m h ASP 87 Ca 0.11 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1h3m h ASP 87 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1h3m h ASP 87 CO -0.01 0.99 -0.02 0.28 -1.72 0.00 0.00 179.24 178.76 1h3m h SER 88 N 0.71 -0.08 -0.23 6.45 0.02 -1.02 0.11 113.55 119.51 1h3m h SER 88 Ca 0.13 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1h3m h SER 88 Cb 0.58 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1h3m h SER 88 CO 0.03 -0.02 0.13 0.58 -1.14 0.00 0.00 176.83 176.41 1h3m h VAL 89 N 0.02 1.11 -0.88 2.27 2.07 -1.33 0.93 116.25 120.44 1h3m h VAL 89 Ca 0.06 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1h3m h VAL 89 Cb 0.08 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1h3m h VAL 89 CO -0.11 0.11 0.57 -0.07 0.02 0.00 0.00 177.57 178.09 1h3m h LEU 90 N 0.27 0.81 -0.84 2.57 3.38 -0.99 0.35 115.31 120.86 1h3m h LEU 90 Ca 0.08 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1h3m h LEU 90 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1h3m h LEU 90 CO -0.01 0.49 -0.23 0.74 0.09 0.00 0.00 178.44 179.52 1h3m h THR 91 N 0.91 1.27 -0.31 0.22 2.02 0.09 -1.98 112.91 115.12 1h3m h THR 91 Ca 0.40 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 1h3m h THR 91 Cb 0.35 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1h3m h THR 91 CO -0.16 0.42 -0.02 1.23 0.37 0.00 0.00 175.52 177.35 1h3m h GLY 92 N 1.00 0.61 0.70 2.16 0.00 0.17 -2.58 103.07 105.13 1h3m h GLY 92 Ca 0.08 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1h3m h GLY 92 CO 0.05 0.43 -0.47 1.41 0.00 0.00 0.00 176.54 177.96 1h3m h LEU 93 N 0.35 -1.22 -1.64 3.11 3.38 -0.28 -0.84 115.31 118.18 1h3m h LEU 93 Ca 0.09 0.08 0.36 0.00 0.09 0.00 0.00 57.88 58.49 1h3m h LEU 93 Cb 0.48 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1h3m h LEU 93 CO 0.02 -0.70 1.10 0.11 0.09 0.00 0.00 178.44 179.05 1h3m h LYS 94 N -1.11 0.00 -0.43 1.13 1.57 -1.33 0.61 116.57 117.01 1h3m h LYS 94 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1h3m h LYS 94 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1h3m h LYS 94 CO 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 1h3m n ALA 95 N -2.55 2.41 1.18 3.86 0.00 -0.41 -4.27 120.51 120.73 1h3m n ALA 95 Ca 0.27 -1.04 0.04 0.00 0.00 0.00 0.00 53.44 52.71 1h3m n ALA 95 Cb 1.48 -0.87 0.23 0.00 0.00 0.00 0.00 19.45 20.29 1h3m n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3m n ALA 96 N 1.51 2.14 -0.86 0.00 0.00 0.21 -4.92 120.51 118.58 1h3m n ALA 96 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1h3m n ALA 96 Cb 0.61 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1h3m n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3m n GLY 97 N 0.13 0.86 0.00 0.00 0.00 -1.26 -2.61 105.19 102.31 1h3m n GLY 97 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1h3m n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h3m n ASP 98 N 9.38 0.29 -4.39 1.61 8.00 -1.26 -5.05 116.55 125.14 1h3m n ASP 98 Ca 0.00 -0.62 -0.39 0.00 0.71 0.00 0.00 54.79 54.49 1h3m n ASP 98 Cb 0.00 0.54 0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1h3m n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h3m n ALA 99 N -0.54 -1.88 -0.02 2.24 0.00 -1.07 -4.94 120.51 114.29 1h3m n ALA 99 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1h3m n ALA 99 Cb 0.01 -1.67 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1h3m n ALA 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1h3m n GLN 100 N 0.58 1.50 -4.42 0.00 6.02 -1.25 -4.89 117.38 114.91 1h3m n GLN 100 Ca 0.10 -0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.81 1h3m n GLN 100 Cb 0.46 -1.17 -0.10 0.00 1.02 0.00 0.00 30.24 30.46 1h3m n GLN 100 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1h3m s TRP 101 N -2.33 2.36 -0.02 1.08 0.52 -1.26 -1.17 118.94 118.12 1h3m s TRP 101 Ca -0.03 -0.32 -0.01 0.00 0.02 0.00 0.00 56.10 55.77 1h3m s TRP 101 Cb 0.03 -1.08 0.03 0.00 -1.15 0.00 0.00 33.47 31.30 1h3m s TRP 101 CO 0.28 0.62 0.05 0.08 0.02 0.00 0.00 176.95 178.00 1h3m s VAL 102 N -2.16 -0.05 -0.29 4.03 1.01 0.76 -2.92 120.40 120.78 1h3m s VAL 102 Ca 0.27 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 1h3m s VAL 102 Cb -0.06 -0.10 0.04 0.00 0.00 0.00 0.00 36.38 36.26 1h3m s VAL 102 CO 0.14 0.07 0.00 -0.22 0.00 0.00 0.00 175.10 175.09 1h3m s LEU 103 N 0.90 3.74 -0.24 3.92 2.96 0.37 -0.93 118.68 129.40 1h3m s LEU 103 Ca -0.07 -1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 1h3m s LEU 103 Cb -0.11 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1h3m s LEU 103 CO -0.03 -0.22 0.16 -0.69 -1.32 0.00 0.00 176.35 174.25 1h3m s VAL 104 N 1.31 5.33 -0.01 1.68 1.01 0.12 0.40 120.40 130.24 1h3m s VAL 104 Ca -0.03 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1h3m s VAL 104 Cb -0.19 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1h3m s VAL 104 CO -0.01 0.34 -0.08 -2.28 0.00 0.00 0.00 175.10 173.06 1h3m s HIS 105 N 1.12 0.77 0.17 5.22 2.46 -0.02 -0.04 115.29 124.97 1h3m s HIS 105 Ca 0.07 -0.16 -0.30 0.00 0.47 0.00 0.00 55.06 55.14 1h3m s HIS 105 Cb -0.14 -0.52 -0.08 0.00 -0.13 0.00 0.00 32.58 31.71 1h3m s HIS 105 CO 0.05 -0.04 1.26 -0.51 -2.47 0.00 0.00 174.74 173.03 1h3m s ASP 106 N -0.06 6.98 0.41 9.88 1.01 -1.26 -3.91 116.67 129.72 1h3m s ASP 106 Ca 0.01 2.28 0.18 0.00 0.71 0.00 0.00 52.55 55.73 1h3m s ASP 106 Cb -0.05 -2.60 1.08 0.00 1.01 0.00 0.00 42.92 42.36 1h3m s ASP 106 CO -0.00 -0.47 1.82 0.00 0.21 0.00 0.00 175.17 176.72 1h3m h ALA 107 N 5.65 2.21 -0.54 5.23 0.00 -1.93 -2.61 119.26 127.29 1h3m h ALA 107 Ca -0.44 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1h3m h ALA 107 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1h3m h ALA 107 CO 0.78 -0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.51 1h3m n ALA 108 N -2.50 3.84 -3.75 0.00 0.00 -1.26 -3.80 120.51 113.05 1h3m n ALA 108 Ca 0.22 -1.76 -0.34 0.00 0.00 0.00 0.00 53.44 51.56 1h3m n ALA 108 Cb 0.78 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 1h3m n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1h3m s ARG 109 N -2.60 2.82 0.00 0.00 0.52 -0.98 -0.97 118.95 117.73 1h3m s ARG 109 Ca 0.49 -3.08 0.29 0.00 -0.52 0.00 0.00 55.73 52.90 1h3m s ARG 109 Cb 0.37 -3.72 1.19 0.00 0.52 0.00 0.00 34.95 33.31 1h3m s ARG 109 CO 0.14 -1.24 1.82 -0.35 0.02 0.00 0.00 175.30 175.69 1h3m n PRO 110 N 2.55 1.30 -0.22 3.54 -0.04 -1.26 -4.26 135.00 136.61 1h3m n PRO 110 Ca 0.17 -0.63 0.08 0.00 -0.04 0.00 0.00 63.50 63.08 1h3m n PRO 110 Cb 0.36 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.54 1h3m n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h3m n LEU 112 N 0.99 2.56 -4.92 0.00 7.94 -1.26 -4.68 117.00 117.63 1h3m n LEU 112 Ca 0.16 1.09 -0.27 0.00 -1.11 0.00 0.00 56.01 55.88 1h3m n LEU 112 Cb 0.50 -1.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.09 1h3m n LEU 112 CO 0.11 -0.56 0.17 -1.00 -1.11 0.00 0.00 177.39 175.01 1h3m s HIS 113 N 1.01 3.49 0.34 1.96 3.76 -1.26 -4.93 115.29 119.66 1h3m s HIS 113 Ca 0.82 0.51 0.23 0.00 -0.15 0.00 0.00 55.06 56.47 1h3m s HIS 113 Cb -0.79 -2.01 1.13 0.00 1.11 0.00 0.00 32.58 32.03 1h3m s HIS 113 CO 0.43 0.18 1.95 1.96 -0.85 0.00 0.00 174.74 178.41 1h3m h GLN 114 N 1.42 0.00 0.08 1.40 1.08 -1.95 -2.38 115.11 114.76 1h3m h GLN 114 Ca -0.48 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.46 1h3m h GLN 114 Cb 1.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1h3m h GLN 114 CO 0.65 0.21 -1.18 0.38 -0.95 0.00 0.00 178.83 177.94 1h3m h ASP 115 N 0.00 0.27 -0.15 1.46 2.03 -1.98 0.51 116.42 118.56 1h3m h ASP 115 Ca -0.00 -0.29 -0.21 0.00 -0.73 0.00 0.00 57.03 55.79 1h3m h ASP 115 Cb 0.51 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.93 1h3m h ASP 115 CO 0.03 1.23 -0.73 0.44 -1.03 0.00 0.00 179.24 179.18 1h3m h ASP 116 N 0.05 0.90 -0.08 4.15 3.32 -1.94 -1.10 116.42 121.72 1h3m h ASP 116 Ca -0.10 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.33 1h3m h ASP 116 Cb 1.90 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 1h3m h ASP 116 CO 0.17 1.38 0.03 0.25 -1.72 0.00 0.00 179.24 179.36 1h3m h LEU 117 N 0.47 0.04 -0.45 1.55 5.85 -1.36 0.11 115.31 121.52 1h3m h LEU 117 Ca -0.05 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1h3m h LEU 117 Cb 1.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1h3m h LEU 117 CO 0.15 0.04 0.29 0.00 -0.34 0.00 0.00 178.44 178.57 1h3m h ALA 118 N 1.05 0.57 -0.89 1.25 0.00 -0.97 0.23 119.26 120.50 1h3m h ALA 118 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1h3m h ALA 118 Cb 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1h3m h ALA 118 CO -0.03 -0.00 0.58 -0.09 0.00 0.00 0.00 179.25 179.70 1h3m h ARG 119 N 0.58 0.97 -0.19 0.00 2.43 -0.81 -1.58 114.38 115.77 1h3m h ARG 119 Ca 0.17 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1h3m h ARG 119 Cb -0.04 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1h3m h ARG 119 CO -0.05 0.64 -0.19 1.25 -1.51 0.00 0.00 179.97 180.11 1h3m h LEU 120 N 0.99 0.50 -2.22 3.80 5.85 -0.21 -3.09 115.31 120.93 1h3m h LEU 120 Ca 0.39 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1h3m h LEU 120 Cb 0.23 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1h3m h LEU 120 CO -0.15 0.87 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.72 1h3m h LEU 121 N 0.14 0.00 -2.03 2.25 3.38 -0.62 -2.17 115.31 116.25 1h3m h LEU 121 Ca 0.03 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1h3m h LEU 121 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1h3m h LEU 121 CO 0.05 0.04 0.38 0.00 0.09 0.00 0.00 178.44 178.99 1h3m h ALA 122 N 1.96 2.26 -0.17 1.53 0.00 -1.21 -2.97 119.26 120.67 1h3m h ALA 122 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1h3m h ALA 122 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1h3m h ALA 122 CO 0.00 -0.60 0.17 -0.07 0.00 0.00 0.00 179.25 178.75 1h3m h LEU 123 N 0.00 0.00 0.00 0.00 3.38 -1.54 -3.05 115.31 114.10 1h3m h LEU 123 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1h3m h LEU 123 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1h3m h LEU 123 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1h3m n SER 124 N -3.94 0.00 0.00 -0.43 3.41 -1.12 -1.62 113.62 109.92 1h3m n SER 124 Ca 0.01 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1h3m n SER 124 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1h3m n SER 124 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h3m n GLU 125 N -0.81 0.99 0.00 4.33 4.71 -1.15 -4.76 120.64 123.95 1h3m n GLU 125 Ca 0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1h3m n GLU 125 Cb 0.01 -0.35 0.00 0.00 -1.01 0.00 0.00 31.44 30.09 1h3m n GLU 125 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1h3m n THR 126 N -0.16 0.00 -3.77 2.62 -1.04 -0.64 -5.08 114.28 106.21 1h3m n THR 126 Ca 0.00 -0.43 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 1h3m n THR 126 Cb 0.08 0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 69.52 1h3m n THR 126 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1h3m s SER 127 N -0.93 -0.22 -0.00 8.00 0.15 -0.77 -5.05 113.70 114.89 1h3m s SER 127 Ca 0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1h3m s SER 127 Cb 0.00 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1h3m s SER 127 CO 0.00 -1.03 0.01 -2.11 1.20 0.00 0.00 173.24 171.31 1h3m n ARG 128 N -0.32 2.50 -0.04 5.44 0.00 -1.26 -4.68 116.66 118.30 1h3m n ARG 128 Ca -0.10 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.54 1h3m n ARG 128 Cb 0.62 -0.83 -0.13 0.00 -0.00 0.00 0.00 32.46 32.12 1h3m n ARG 128 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1h3m n THR 129 N -1.33 1.69 -1.53 8.89 -1.04 -1.26 -4.77 114.28 114.93 1h3m n THR 129 Ca -0.00 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1h3m n THR 129 Cb 0.01 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 1h3m n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h3m n GLY 130 N 1.89 -1.80 0.00 3.41 0.00 -1.26 -4.29 105.19 103.14 1h3m n GLY 130 Ca -0.35 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1h3m n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3m n GLY 131 N 0.00 -1.02 3.07 -0.02 0.00 -0.06 -0.98 105.19 106.18 1h3m n GLY 131 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1h3m n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h3m s ILE 132 N -3.00 0.09 0.44 -0.61 -4.36 -0.14 0.17 121.20 113.79 1h3m s ILE 132 Ca 0.00 -0.77 -0.23 0.00 -0.26 0.00 0.00 60.65 59.39 1h3m s ILE 132 Cb 0.00 -0.40 -0.08 0.00 1.25 0.00 0.00 42.46 43.23 1h3m s ILE 132 CO 0.00 -0.42 1.12 -0.76 0.24 0.00 0.00 174.94 175.12 1h3m s LEU 133 N -1.43 4.06 0.17 0.37 1.43 -1.07 -1.19 118.68 121.02 1h3m s LEU 133 Ca -0.15 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 54.97 1h3m s LEU 133 Cb -0.08 -4.21 0.04 0.00 0.03 0.00 0.00 46.19 41.96 1h3m s LEU 133 CO 0.01 -0.75 0.53 0.00 0.23 0.00 0.00 176.35 176.36 1h3m s ALA 134 N -1.59 -1.13 -0.02 4.21 0.00 -0.32 0.08 121.76 122.99 1h3m s ALA 134 Ca 0.61 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1h3m s ALA 134 Cb -0.26 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1h3m s ALA 134 CO 0.32 -0.77 -0.03 0.00 0.00 0.00 0.00 175.76 175.28 1h3m s ALA 135 N -3.82 0.41 0.64 0.00 0.00 -0.25 0.90 121.76 119.64 1h3m s ALA 135 Ca 0.05 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 1h3m s ALA 135 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1h3m s ALA 135 CO -0.07 0.01 1.24 -2.14 0.00 0.00 0.00 175.76 174.80 1h3m s PRO 136 N 0.51 2.63 0.06 0.00 0.02 -1.26 -0.60 135.00 136.36 1h3m s PRO 136 Ca -0.05 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 62.58 1h3m s PRO 136 Cb -0.09 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1h3m s PRO 136 CO -0.01 -1.49 0.87 0.08 -0.33 0.00 0.00 177.00 176.13 1h3m s VAL 137 N -1.62 4.68 -0.16 3.83 1.01 -0.03 -4.70 120.40 123.42 1h3m s VAL 137 Ca 0.78 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 64.60 1h3m s VAL 137 Cb -0.33 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1h3m s VAL 137 CO 0.38 0.31 -0.16 0.54 0.00 0.00 0.00 175.10 176.17 1h3m n ARG 138 N 3.02 0.37 -1.13 2.72 5.12 -1.26 -4.94 116.66 120.56 1h3m n ARG 138 Ca 0.01 0.11 -0.30 0.00 -1.93 0.00 0.00 57.85 55.73 1h3m n ARG 138 Cb 0.50 -1.24 0.13 0.00 -1.16 0.00 0.00 32.46 30.69 1h3m n ARG 138 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1h3m s ASP 139 N -5.79 3.59 0.05 0.55 1.11 -1.26 -4.99 116.67 109.93 1h3m s ASP 139 Ca -0.21 1.66 -0.27 0.00 0.18 0.00 0.00 52.55 53.90 1h3m s ASP 139 Cb 0.06 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.68 1h3m s ASP 139 CO 0.33 -2.59 0.86 -0.89 1.18 0.00 0.00 175.17 174.06 1h3m s THR 140 N -2.87 4.70 -0.12 -1.27 2.01 -1.26 -4.95 115.64 111.88 1h3m s THR 140 Ca 0.63 1.83 -0.04 0.00 0.31 0.00 0.00 61.69 64.42 1h3m s THR 140 Cb -0.19 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1h3m s THR 140 CO 0.57 0.31 0.05 -0.04 -0.69 0.00 0.00 174.62 174.82 1h3m s MET 141 N 0.20 3.34 0.08 4.92 1.00 -1.26 -5.04 119.30 122.54 1h3m s MET 141 Ca 0.43 -0.33 0.09 0.00 0.00 0.00 0.00 55.69 55.89 1h3m s MET 141 Cb -0.21 -2.99 -0.03 0.00 0.00 0.00 0.00 34.83 31.59 1h3m s MET 141 CO 0.26 0.61 -0.22 0.15 0.00 0.00 0.00 175.02 175.82 1h3m s LYS 142 N -0.61 1.80 -0.19 2.03 -0.14 -1.26 0.01 119.74 121.38 1h3m s LYS 142 Ca 0.11 -1.14 -0.07 0.00 -1.36 0.00 0.00 55.97 53.51 1h3m s LYS 142 Cb -0.12 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 1h3m s LYS 142 CO 0.02 0.50 0.05 0.50 -0.76 0.00 0.00 175.35 175.66 1h3m s ARG 143 N -1.67 3.87 0.55 1.68 6.06 -0.11 -4.82 118.95 124.51 1h3m s ARG 143 Ca 0.14 -0.39 -0.19 0.00 -2.50 0.00 0.00 55.73 52.79 1h3m s ARG 143 Cb -0.10 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.66 1h3m s ARG 143 CO 0.06 0.18 1.10 0.00 -2.50 0.00 0.00 175.30 174.14 1h3m s ALA 144 N 0.60 2.70 0.35 6.12 0.00 -1.26 -0.26 121.76 130.02 1h3m s ALA 144 Ca 0.02 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 1h3m s ALA 144 Cb -0.13 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1h3m s ALA 144 CO 0.02 -0.74 1.47 -1.21 0.00 0.00 0.00 175.76 175.29 1h3m s GLU 145 N -3.44 4.16 0.00 0.00 2.02 0.72 -4.46 118.70 117.72 1h3m s GLU 145 Ca 0.70 2.50 -0.34 0.00 0.02 0.00 0.00 54.97 57.85 1h3m s GLU 145 Cb -0.21 -3.00 -0.12 0.00 0.10 0.00 0.00 34.13 30.89 1h3m s GLU 145 CO 0.28 -0.48 1.78 -2.30 0.02 0.00 0.00 175.26 174.57 1h3m n PRO 146 N 0.82 2.21 -0.94 0.39 -0.02 -1.26 -0.62 135.00 135.58 1h3m n PRO 146 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1h3m n PRO 146 Cb 0.39 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1h3m n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3m n GLY 147 N 4.08 0.60 3.69 -1.23 0.00 -1.26 -4.99 105.19 106.09 1h3m n GLY 147 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1h3m n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3m s LYS 148 N -0.33 2.08 0.00 1.61 1.02 0.20 -5.04 119.74 119.29 1h3m s LYS 148 Ca 0.00 -2.13 0.30 0.00 0.02 0.00 0.00 55.97 54.16 1h3m s LYS 148 Cb 0.00 -1.70 1.41 0.00 -0.52 0.00 0.00 37.83 37.02 1h3m s LYS 148 CO 0.00 -0.16 1.99 0.27 -0.92 0.00 0.00 175.35 176.53 1h3m n ASN 149 N -1.13 0.09 -4.29 2.83 6.94 -1.26 -4.45 115.26 114.00 1h3m n ASN 149 Ca -0.08 -0.14 -0.25 0.00 -0.02 0.00 0.00 54.58 54.10 1h3m n ASN 149 Cb 0.66 -0.26 -0.13 0.00 -2.36 0.00 0.00 39.78 37.69 1h3m n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1h3m s ALA 150 N -2.62 1.86 0.02 -2.53 0.00 -1.26 -5.01 121.76 112.21 1h3m s ALA 150 Ca 0.26 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1h3m s ALA 150 Cb 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1h3m s ALA 150 CO 0.48 0.39 1.33 0.42 0.00 0.00 0.00 175.76 178.37 1h3m s ILE 151 N -1.07 3.81 -0.13 0.00 1.01 -1.26 -0.20 121.20 123.35 1h3m s ILE 151 Ca 0.07 1.22 -0.14 0.00 0.00 0.00 0.00 60.65 61.81 1h3m s ILE 151 Cb -0.10 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 1h3m s ILE 151 CO 0.04 0.03 0.25 0.00 0.00 0.00 0.00 174.94 175.26 1h3m h ALA 152 N 7.43 0.04 -2.95 9.38 0.00 -0.85 -3.43 119.26 128.88 1h3m h ALA 152 Ca -0.38 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.16 1h3m h ALA 152 Cb 1.19 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1h3m h ALA 152 CO 0.88 0.17 0.28 -3.38 0.00 0.00 0.00 179.25 177.20 1h3m s HIS 153 N -1.98 -0.02 0.22 0.00 0.00 -1.18 -5.00 115.29 107.32 1h3m s HIS 153 Ca -0.12 -0.54 -0.30 0.00 -3.00 0.00 0.00 55.06 51.10 1h3m s HIS 153 Cb 0.00 0.77 -0.09 0.00 -4.00 0.00 0.00 32.58 29.27 1h3m s HIS 153 CO 0.34 -1.37 0.93 0.99 -1.00 0.00 0.00 174.74 174.63 1h3m s THR 154 N -3.01 4.13 -0.13 -5.38 2.01 -1.26 -0.94 115.64 111.07 1h3m s THR 154 Ca 0.14 2.07 -0.11 0.00 0.31 0.00 0.00 61.69 64.10 1h3m s THR 154 Cb -0.05 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1h3m s THR 154 CO 0.09 0.48 0.22 -0.69 -0.69 0.00 0.00 174.62 174.03 1h3m s VAL 155 N -1.05 5.36 -0.10 3.82 1.01 0.10 -4.85 120.40 124.69 1h3m s VAL 155 Ca 0.41 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1h3m s VAL 155 Cb -0.26 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1h3m s VAL 155 CO 0.31 0.52 1.47 -0.62 0.00 0.00 0.00 175.10 176.78 1h3m s ASP 156 N -0.37 6.80 0.00 3.32 3.68 -1.26 -4.30 116.67 124.54 1h3m s ASP 156 Ca 0.15 2.00 0.26 0.00 2.13 0.00 0.00 52.55 57.09 1h3m s ASP 156 Cb -0.13 -2.54 0.68 0.00 -1.45 0.00 0.00 42.92 39.49 1h3m s ASP 156 CO 0.04 -0.84 1.53 -2.11 0.13 0.00 0.00 175.17 173.92 1h3m n ARG 157 N 6.81 1.66 -2.56 4.34 1.85 -1.26 -4.64 116.66 122.85 1h3m n ARG 157 Ca 0.16 -1.14 -0.42 0.00 -1.00 0.00 0.00 57.85 55.44 1h3m n ARG 157 Cb 0.44 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.34 1h3m n ARG 157 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1h3m s ASN 158 N -2.12 7.24 -0.41 2.89 2.47 -1.26 -1.60 114.94 122.14 1h3m s ASN 158 Ca 0.31 1.88 0.00 0.00 0.42 0.00 0.00 52.86 55.47 1h3m s ASN 158 Cb 0.20 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 1h3m s ASN 158 CO 0.38 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 174.04 1h3m n GLY 159 N 2.87 0.58 3.68 1.21 0.00 -1.26 -5.02 105.19 107.25 1h3m n GLY 159 Ca 0.07 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1h3m n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h3m s LEU 160 N -0.89 4.16 -0.02 0.99 2.96 -0.63 -5.07 118.68 120.17 1h3m s LEU 160 Ca 0.00 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1h3m s LEU 160 Cb 0.00 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1h3m s LEU 160 CO 0.00 0.04 -0.17 0.26 -1.32 0.00 0.00 176.35 175.16 1h3m s TRP 161 N 0.98 1.58 -0.07 5.38 0.52 -1.26 -0.85 118.94 125.22 1h3m s TRP 161 Ca 0.12 -0.35 -0.30 0.00 0.02 0.00 0.00 56.10 55.60 1h3m s TRP 161 Cb -0.14 -1.03 -0.05 0.00 -1.15 0.00 0.00 33.47 31.10 1h3m s TRP 161 CO 0.05 -0.07 1.62 -1.01 0.02 0.00 0.00 176.95 177.56 1h3m s HIS 162 N -0.26 2.05 -0.07 -1.98 3.76 0.23 -4.89 115.29 114.13 1h3m s HIS 162 Ca 0.03 0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.91 1h3m s HIS 162 Cb -0.08 -3.88 -0.02 0.00 1.11 0.00 0.00 32.58 29.70 1h3m s HIS 162 CO 0.00 -3.67 1.11 0.00 -0.85 0.00 0.00 174.74 171.34 1h3m s ALA 163 N 4.01 3.44 0.00 -1.40 0.00 -1.26 -1.09 121.76 125.46 1h3m s ALA 163 Ca 0.72 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1h3m s ALA 163 Cb -0.32 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1h3m s ALA 163 CO 0.28 -0.67 0.00 1.28 0.00 0.00 0.00 175.76 176.66 1h3m n LEU 164 N 5.03 0.00 -4.17 0.00 4.77 0.11 -4.95 117.00 117.79 1h3m n LEU 164 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1h3m n LEU 164 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1h3m n LEU 164 CO 0.54 -0.05 -0.35 0.42 -1.33 0.00 0.00 177.39 176.62 1h3m s THR 165 N -0.31 0.52 0.88 -5.08 -4.23 -1.26 -4.37 115.64 101.78 1h3m s THR 165 Ca 0.00 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1h3m s THR 165 Cb 0.00 -1.82 0.12 0.00 1.34 0.00 0.00 72.50 72.14 1h3m s THR 165 CO 0.00 -0.73 1.09 -2.84 -0.54 0.00 0.00 174.62 171.60 1h3m s PRO 166 N -3.90 1.40 -0.11 3.99 0.02 -1.26 -4.80 135.00 130.34 1h3m s PRO 166 Ca 0.16 0.95 0.02 0.00 0.02 0.00 0.00 61.00 62.15 1h3m s PRO 166 Cb 0.06 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.78 1h3m s PRO 166 CO -0.02 -2.18 -0.18 -0.65 -0.33 0.00 0.00 177.00 173.64 1h3m s GLN 167 N -4.89 2.48 -0.18 5.54 -0.21 0.95 -2.59 119.66 120.76 1h3m s GLN 167 Ca 0.63 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 55.36 1h3m s GLN 167 Cb -0.18 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 31.81 1h3m s GLN 167 CO 0.57 -0.02 -0.18 0.12 -2.12 0.00 0.00 175.29 173.66 1h3m s PHE 168 N 0.85 2.67 0.03 0.91 5.36 0.13 0.13 117.98 128.05 1h3m s PHE 168 Ca -0.09 -1.59 -0.08 0.00 -0.96 0.00 0.00 56.93 54.22 1h3m s PHE 168 Cb -0.15 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1h3m s PHE 168 CO -0.00 -0.78 0.16 -0.06 -1.46 0.00 0.00 175.22 173.08 1h3m s PHE 169 N 1.33 0.08 0.16 10.12 0.40 -0.10 -0.88 117.98 129.08 1h3m s PHE 169 Ca 0.04 -0.29 -0.33 0.00 -0.60 0.00 0.00 56.93 55.76 1h3m s PHE 169 Cb -0.13 -0.06 -0.13 0.00 0.51 0.00 0.00 43.02 43.21 1h3m s PHE 169 CO -0.12 -0.39 1.70 -2.30 0.70 0.00 0.00 175.22 174.81 1h3m n PRO 170 N 0.87 2.49 -0.18 0.24 -0.02 -1.26 -0.17 135.00 136.97 1h3m n PRO 170 Ca -0.20 0.90 -0.03 0.00 -2.02 0.00 0.00 63.50 62.15 1h3m n PRO 170 Cb 0.58 -2.72 0.07 0.00 -0.02 0.00 0.00 33.50 31.40 1h3m n PRO 170 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1h3m h ARG 171 N 6.90 0.44 -0.32 -0.52 2.43 -1.43 0.11 114.38 121.99 1h3m h ARG 171 Ca -0.45 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 1h3m h ARG 171 Cb 1.23 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1h3m h ARG 171 CO 0.93 0.29 -0.46 0.93 -1.51 0.00 0.00 179.97 180.15 1h3m h GLU 172 N 0.46 0.84 0.40 0.20 5.08 -1.90 0.20 114.58 119.86 1h3m h GLU 172 Ca 0.25 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1h3m h GLU 172 Cb 0.22 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1h3m h GLU 172 CO -0.21 1.12 -0.19 1.25 -1.00 0.00 0.00 179.01 179.97 1h3m h LEU 173 N 0.67 -0.46 -0.16 1.33 5.85 -1.88 0.11 115.31 120.77 1h3m h LEU 173 Ca 0.04 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1h3m h LEU 173 Cb 1.04 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1h3m h LEU 173 CO 0.10 -0.30 -0.30 0.25 -0.34 0.00 0.00 178.44 177.85 1h3m h LEU 174 N -0.57 -0.95 -0.69 2.25 5.85 -0.84 0.64 115.31 120.99 1h3m h LEU 174 Ca -0.06 0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1h3m h LEU 174 Cb 0.43 0.41 -0.13 0.00 0.37 0.00 0.00 40.66 41.75 1h3m h LEU 174 CO 0.09 -0.34 -0.13 -0.74 -0.34 0.00 0.00 178.44 176.98 1h3m h HIS 175 N -0.36 -0.29 -0.42 1.25 2.76 -0.44 -0.35 115.15 117.30 1h3m h HIS 175 Ca 0.11 0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1h3m h HIS 175 Cb 0.53 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1h3m h HIS 175 CO -0.41 -0.28 -0.21 -0.44 -1.30 0.00 0.00 177.93 175.29 1h3m h ASP 176 N 0.02 0.85 0.10 3.26 3.32 0.27 -1.86 116.42 122.38 1h3m h ASP 176 Ca 0.34 -0.30 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 1h3m h ASP 176 Cb 0.55 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1h3m h ASP 176 CO -0.69 1.03 -0.77 0.00 -1.72 0.00 0.00 179.24 177.09 1h3m h LEU 178 N 0.38 0.76 0.06 0.00 3.38 -1.10 -1.28 115.31 117.51 1h3m h LEU 178 Ca -0.04 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1h3m h LEU 178 Cb 1.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h3m h LEU 178 CO 0.14 1.03 -0.03 0.74 0.09 0.00 0.00 178.44 180.42 1h3m h THR 179 N 0.61 1.11 -0.60 0.22 2.02 -1.35 -1.48 112.91 113.43 1h3m h THR 179 Ca 0.06 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1h3m h THR 179 Cb 0.86 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1h3m h THR 179 CO 0.08 0.14 0.17 -0.09 0.37 0.00 0.00 175.52 176.19 1h3m h ARG 180 N -0.32 0.95 -0.34 6.66 2.43 -1.36 -1.92 114.38 120.47 1h3m h ARG 180 Ca -0.01 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 58.80 1h3m h ARG 180 Cb 0.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1h3m h ARG 180 CO 0.01 0.85 -0.39 0.00 -1.51 0.00 0.00 179.97 178.93 1h3m h ALA 181 N 1.05 0.66 -0.66 2.80 0.00 -1.21 -0.69 119.26 121.21 1h3m h ALA 181 Ca 0.19 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1h3m h ALA 181 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1h3m h ALA 181 CO -0.00 0.67 0.21 -0.07 0.00 0.00 0.00 179.25 180.06 1h3m h LEU 182 N 0.68 0.94 0.03 0.00 3.38 -1.15 -0.20 115.31 118.98 1h3m h LEU 182 Ca 0.06 -0.16 -0.27 0.00 0.09 0.00 0.00 57.88 57.60 1h3m h LEU 182 Cb 0.96 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1h3m h LEU 182 CO 0.09 0.88 -1.16 0.78 0.09 0.00 0.00 178.44 179.12 1h3m h ASN 183 N 0.98 0.55 0.70 -0.43 4.21 -1.17 -2.81 115.58 117.62 1h3m h ASN 183 Ca 0.22 -0.53 0.00 0.00 1.21 0.00 0.00 56.30 57.20 1h3m h ASN 183 Cb 0.27 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1h3m h ASN 183 CO -0.01 1.37 0.00 -0.62 -1.29 0.00 0.00 177.43 176.88 1h3m n GLU 184 N -3.66 0.26 -2.15 0.81 1.02 -0.28 -4.94 120.64 111.70 1h3m n GLU 184 Ca -0.09 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 1h3m n GLU 184 Cb 0.96 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.87 1h3m n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h3m n GLY 185 N 1.27 0.02 3.76 0.62 0.00 -0.32 -5.00 105.19 105.53 1h3m n GLY 185 Ca 0.11 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1h3m n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3m s ALA 186 N -2.47 2.20 -0.45 4.61 0.00 -0.24 -4.96 121.76 120.45 1h3m s ALA 186 Ca 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 1h3m s ALA 186 Cb 0.00 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1h3m s ALA 186 CO 0.00 -1.80 0.64 0.99 0.00 0.00 0.00 175.76 175.59 1h3m s THR 187 N -2.74 4.83 -0.18 0.00 2.01 -1.26 -4.83 115.64 113.47 1h3m s THR 187 Ca 0.63 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 1h3m s THR 187 Cb -0.19 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1h3m s THR 187 CO 0.53 -0.65 0.04 -0.63 -0.69 0.00 0.00 174.62 173.23 1h3m s ILE 188 N 2.80 4.64 0.00 1.82 1.01 -1.26 -4.98 121.20 125.23 1h3m s ILE 188 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1h3m s ILE 188 Cb -0.15 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1h3m s ILE 188 CO 0.17 0.47 0.00 0.35 0.00 0.00 0.00 174.94 175.93 1h3m n THR 189 N 3.50 0.00 -2.33 2.92 -2.24 -1.26 -5.04 114.28 109.83 1h3m n THR 189 Ca -0.17 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 1h3m n THR 189 Cb 0.52 -0.50 0.13 0.00 -2.10 0.00 0.00 70.33 68.39 1h3m n THR 189 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1h3m s ASP 190 N -0.34 3.93 0.21 3.42 1.47 -1.26 -4.95 116.67 119.15 1h3m s ASP 190 Ca 0.00 -0.09 -0.09 0.00 1.18 0.00 0.00 52.55 53.55 1h3m s ASP 190 Cb 0.00 -0.18 0.17 0.00 -0.34 0.00 0.00 42.92 42.57 1h3m s ASP 190 CO 0.00 -2.16 1.84 -0.33 0.68 0.00 0.00 175.17 175.19 1h3m h GLU 191 N -0.93 1.12 -1.03 2.11 3.07 -1.98 -2.58 114.58 114.35 1h3m h GLU 191 Ca -0.40 -0.13 0.26 0.00 -0.50 0.00 0.00 59.36 58.60 1h3m h GLU 191 Cb 1.26 -0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 28.86 1h3m h GLU 191 CO 0.40 0.82 0.67 0.00 -1.40 0.00 0.00 179.01 179.51 1h3m h ALA 192 N 1.23 2.32 0.00 3.43 0.00 -1.97 -1.88 119.26 122.40 1h3m h ALA 192 Ca 0.28 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1h3m h ALA 192 Cb 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h3m h ALA 192 CO -0.05 -0.69 -0.64 0.66 0.00 0.00 0.00 179.25 178.53 1h3m h SER 193 N 0.35 0.00 -0.75 0.00 4.64 -1.83 -2.07 113.55 113.90 1h3m h SER 193 Ca 0.57 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.83 1h3m h SER 193 Cb 1.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.57 1h3m h SER 193 CO -0.24 0.64 0.26 0.00 -0.87 0.00 0.00 176.83 176.62 1h3m h ALA 194 N 1.36 1.04 -0.59 5.18 0.00 -1.39 -1.03 119.26 123.83 1h3m h ALA 194 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1h3m h ALA 194 Cb 1.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1h3m h ALA 194 CO 0.08 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 180.09 1h3m h LEU 195 N 1.11 0.88 -0.22 0.00 3.38 -1.37 -2.72 115.31 116.37 1h3m h LEU 195 Ca 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1h3m h LEU 195 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1h3m h LEU 195 CO -0.01 0.87 0.12 -0.33 0.09 0.00 0.00 178.44 179.18 1h3m h GLU 196 N 0.85 0.30 -0.52 1.13 5.08 -1.15 0.82 114.58 121.09 1h3m h GLU 196 Ca 0.19 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1h3m h GLU 196 Cb 0.32 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1h3m h GLU 196 CO -0.00 0.27 0.35 -0.92 -1.00 0.00 0.00 179.01 177.71 1h3m h TYR 197 N 0.25 0.33 -0.37 4.33 3.20 -1.16 0.62 116.97 124.16 1h3m h TYR 197 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1h3m h TYR 197 Cb 0.06 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1h3m h TYR 197 CO -0.04 0.16 0.00 0.00 -1.64 0.00 0.00 178.16 176.64 1h3m n GLY 199 N 1.21 0.81 3.96 0.00 0.00 0.21 -5.06 105.19 106.31 1h3m n GLY 199 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1h3m n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3m s PHE 200 N -2.10 2.97 -0.42 1.61 0.40 0.18 -4.97 117.98 115.65 1h3m s PHE 200 Ca 0.00 0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.49 1h3m s PHE 200 Cb 0.00 -2.70 0.16 0.00 0.51 0.00 0.00 43.02 40.99 1h3m s PHE 200 CO 0.00 -0.81 0.32 -1.01 0.70 0.00 0.00 175.22 174.42 1h3m s HIS 201 N -2.78 1.23 0.69 0.36 3.76 -1.26 -4.08 115.29 113.21 1h3m s HIS 201 Ca 0.55 -2.27 -0.13 0.00 -0.15 0.00 0.00 55.06 53.07 1h3m s HIS 201 Cb -0.10 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.52 1h3m s HIS 201 CO 0.39 -0.81 1.08 -2.14 -0.85 0.00 0.00 174.74 172.42 1h3m s PRO 202 N 0.16 2.75 0.18 8.40 0.02 -1.26 -4.98 135.00 140.27 1h3m s PRO 202 Ca 0.29 1.19 -0.18 0.00 0.02 0.00 0.00 61.00 62.33 1h3m s PRO 202 Cb -0.03 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 1h3m s PRO 202 CO -0.15 -1.26 0.64 -1.14 -0.33 0.00 0.00 177.00 174.77 1h3m s GLN 203 N -4.54 4.15 -0.55 5.54 2.00 -0.16 -4.91 119.66 121.19 1h3m s GLN 203 Ca 0.63 0.72 -0.24 0.00 -2.00 0.00 0.00 55.36 54.47 1h3m s GLN 203 Cb -0.17 -2.94 0.04 0.00 0.80 0.00 0.00 33.01 30.74 1h3m s GLN 203 CO 0.48 0.45 0.92 -0.51 -0.50 0.00 0.00 175.29 176.13 1h3m s LEU 204 N -1.87 4.17 -0.29 3.68 1.43 -1.26 -0.96 118.68 123.58 1h3m s LEU 204 Ca 0.39 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 1h3m s LEU 204 Cb -0.16 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 1h3m s LEU 204 CO 0.20 -1.21 0.64 -0.69 0.23 0.00 0.00 176.35 175.52 1h3m s VAL 205 N 3.86 4.94 0.09 -1.59 1.01 -0.34 -4.95 120.40 123.43 1h3m s VAL 205 Ca 0.29 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 1h3m s VAL 205 Cb -0.13 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1h3m s VAL 205 CO 0.19 -0.09 1.73 -0.70 0.00 0.00 0.00 175.10 176.23 1h3m s GLU 206 N 2.59 4.17 0.36 2.72 2.12 -1.26 -1.18 118.70 128.23 1h3m s GLU 206 Ca 0.26 2.45 0.09 0.00 0.36 0.00 0.00 54.97 58.12 1h3m s GLU 206 Cb -0.15 -3.61 -0.06 0.00 0.26 0.00 0.00 34.13 30.57 1h3m s GLU 206 CO 0.11 -0.79 -0.02 0.20 -0.54 0.00 0.00 175.26 174.22 1h3m s GLY 207 N 2.59 2.22 0.34 -1.50 0.00 0.26 -4.83 107.32 106.40 1h3m s GLY 207 Ca 0.77 -2.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.11 1h3m s GLY 207 CO 0.34 -1.99 1.47 0.54 0.00 0.00 0.00 173.10 173.46 1h3m n ARG 208 N -0.92 2.51 0.00 2.90 1.74 -1.26 -4.60 116.66 117.04 1h3m n ARG 208 Ca -0.04 0.88 0.12 0.00 -0.77 0.00 0.00 57.85 58.04 1h3m n ARG 208 Cb 0.64 -2.59 0.63 0.00 -1.02 0.00 0.00 32.46 30.11 1h3m n ARG 208 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h3m n ALA 209 N 0.97 2.26 0.01 7.54 0.00 -1.26 -3.09 120.51 126.94 1h3m n ALA 209 Ca 0.05 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1h3m n ALA 209 Cb 0.37 -1.38 0.28 0.00 0.00 0.00 0.00 19.45 18.72 1h3m n ALA 209 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h3m n ASP 210 N -1.18 3.34 -3.68 0.00 5.75 -1.26 -4.59 116.55 114.92 1h3m n ASP 210 Ca 0.13 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.50 1h3m n ASP 210 Cb 0.15 -0.42 -0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1h3m n ASP 210 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1h3m n ASN 211 N 1.32 5.26 -4.93 -1.12 5.15 -1.18 -4.77 115.26 115.00 1h3m n ASN 211 Ca 0.21 -2.89 -0.25 0.00 -0.60 0.00 0.00 54.58 51.04 1h3m n ASN 211 Cb 0.53 -1.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.19 1h3m n ASN 211 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1h3m s ILE 212 N 1.98 5.04 -0.20 -1.44 -4.36 -1.26 -4.89 121.20 116.07 1h3m s ILE 212 Ca 0.49 -0.22 -0.09 0.00 -0.26 0.00 0.00 60.65 60.58 1h3m s ILE 212 Cb 0.14 -3.86 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1h3m s ILE 212 CO -0.06 -0.64 0.10 -0.75 0.24 0.00 0.00 174.94 173.82 1h3m s LYS 213 N -4.42 4.02 -0.59 0.37 2.20 -1.26 -4.37 119.74 115.70 1h3m s LYS 213 Ca 0.43 -0.31 -0.25 0.00 -0.36 0.00 0.00 55.97 55.48 1h3m s LYS 213 Cb -0.10 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1h3m s LYS 213 CO 0.39 0.20 1.00 0.08 -0.36 0.00 0.00 175.35 176.66 1h3m s VAL 214 N 0.60 4.28 -0.03 4.02 1.01 -0.15 -4.77 120.40 125.37 1h3m s VAL 214 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1h3m s VAL 214 Cb -0.12 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 1h3m s VAL 214 CO 0.01 -1.26 -0.02 0.41 0.00 0.00 0.00 175.10 174.24 1h3m n THR 215 N 6.23 0.15 -3.86 3.92 -1.04 -1.26 -4.80 114.28 113.61 1h3m n THR 215 Ca 0.02 -0.05 -0.21 0.00 -2.04 0.00 0.00 64.05 61.76 1h3m n THR 215 Cb 0.47 -0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 1h3m n THR 215 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1h3m s ARG 216 N -2.05 2.87 0.27 -2.82 0.52 -1.26 -4.99 118.95 111.49 1h3m s ARG 216 Ca -0.03 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1h3m s ARG 216 Cb 0.01 -2.57 0.55 0.00 0.52 0.00 0.00 34.95 33.47 1h3m s ARG 216 CO 0.06 0.19 1.61 -1.35 0.02 0.00 0.00 175.30 175.83 1h3m h PRO 217 N 1.26 0.07 0.00 3.54 0.10 -2.02 -2.28 132.00 132.67 1h3m h PRO 217 Ca -0.46 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1h3m h PRO 217 Cb 1.25 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.33 1h3m h PRO 217 CO 0.58 0.05 0.00 1.05 0.10 0.00 0.00 178.00 179.78 1h3m h GLU 218 N 0.08 0.00 -0.97 1.05 9.09 -2.02 -2.82 114.58 119.00 1h3m h GLU 218 Ca 0.48 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.97 1h3m h GLU 218 Cb 0.90 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.94 1h3m h GLU 218 CO -0.77 0.00 0.62 -0.44 0.05 0.00 0.00 179.01 178.48 1h3m h ASP 219 N 0.00 0.96 -0.68 3.06 3.32 -1.79 -2.64 116.42 118.64 1h3m h ASP 219 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1h3m h ASP 219 Cb 0.83 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 1h3m h ASP 219 CO 0.00 0.59 0.41 0.25 -1.72 0.00 0.00 179.24 178.77 1h3m h LEU 220 N 1.07 0.65 -0.69 1.55 5.85 -1.57 0.45 115.31 122.62 1h3m h LEU 220 Ca 0.43 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.12 1h3m h LEU 220 Cb 0.26 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1h3m h LEU 220 CO -0.18 0.44 0.26 0.00 -0.34 0.00 0.00 178.44 178.62 1h3m h ALA 221 N 1.32 0.90 -0.28 1.25 0.00 -1.63 -1.87 119.26 118.95 1h3m h ALA 221 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1h3m h ALA 221 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h3m h ALA 221 CO -0.14 0.54 0.03 1.25 0.00 0.00 0.00 179.25 180.94 1h3m h LEU 222 N 1.00 0.45 -0.12 0.00 5.85 -0.89 -0.74 115.31 120.86 1h3m h LEU 222 Ca 0.23 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1h3m h LEU 222 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1h3m h LEU 222 CO -0.02 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.70 1h3m h ALA 223 N 0.86 0.10 -0.30 1.25 0.00 -0.02 0.47 119.26 121.62 1h3m h ALA 223 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1h3m h ALA 223 Cb 0.36 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1h3m h ALA 223 CO 0.01 -0.46 -0.02 1.49 0.00 0.00 0.00 179.25 180.27 1h3m h GLU 224 N 0.04 0.06 -0.20 0.00 4.81 -1.19 0.40 114.58 118.50 1h3m h GLU 224 Ca 0.05 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1h3m h GLU 224 Cb 0.06 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1h3m h GLU 224 CO -0.09 0.04 -0.48 0.35 -0.73 0.00 0.00 179.01 178.10 1h3m h PHE 225 N 0.06 -1.40 -0.69 0.92 3.57 -0.62 -1.67 116.94 117.13 1h3m h PHE 225 Ca 0.14 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1h3m h PHE 225 Cb 0.20 0.64 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 1h3m h PHE 225 CO -0.24 -0.50 0.36 1.88 -2.23 0.00 0.00 178.31 177.59 1h3m h TYR 226 N -0.49 0.65 0.00 0.41 0.99 -0.02 -2.07 116.97 116.43 1h3m h TYR 226 Ca 0.07 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 1h3m h TYR 226 Cb 0.64 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.17 1h3m h TYR 226 CO -0.56 0.27 -0.28 -0.07 -0.00 0.00 0.00 178.16 177.52 1h3m h LEU 227 N 0.64 0.00 0.08 3.88 3.38 0.18 -3.23 115.31 120.24 1h3m h LEU 227 Ca 0.32 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.98 1h3m h LEU 227 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1h3m h LEU 227 CO -0.23 0.28 -1.68 0.71 0.09 0.00 0.00 178.44 177.61 1h3m h THR 228 N 0.00 0.95 0.00 0.22 1.35 -0.69 -3.51 112.91 111.23 1h3m h THR 228 Ca -0.00 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 1h3m h THR 228 Cb 0.57 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1h3m h THR 228 CO 0.04 0.74 0.00 -1.14 -0.25 0.00 0.00 175.52 174.91