#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oi7 s ALA 5 N 0.00 3.65 -0.07 5.20 0.00 -1.26 -4.96 121.76 124.32 2oi7 s ALA 5 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 2oi7 s ALA 5 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2oi7 s ALA 5 CO 0.00 -0.81 0.18 1.41 0.00 0.00 0.00 175.76 176.54 2oi7 s MET 6 N 1.70 0.18 0.10 0.00 1.75 -1.26 0.01 119.30 121.78 2oi7 s MET 6 Ca 0.67 0.30 0.05 0.00 -1.25 0.00 0.00 55.69 55.47 2oi7 s MET 6 Cb -0.38 0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.27 2oi7 s MET 6 CO 0.30 -0.07 -0.13 -1.12 -0.65 0.00 0.00 175.02 173.36 2oi7 s SER 7 N 0.45 1.72 0.07 1.11 0.01 0.15 -0.70 113.70 116.51 2oi7 s SER 7 Ca -0.03 -0.76 0.09 0.00 1.31 0.00 0.00 55.95 56.56 2oi7 s SER 7 Cb -0.04 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2oi7 s SER 7 CO -0.02 -0.17 -0.23 -0.69 0.41 0.00 0.00 173.24 172.54 2oi7 s VAL 8 N -2.02 2.44 -0.15 3.43 1.01 -0.06 -0.70 120.40 124.35 2oi7 s VAL 8 Ca 0.05 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.63 2oi7 s VAL 8 Cb -0.06 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2oi7 s VAL 8 CO 0.02 0.27 -0.17 -0.69 0.00 0.00 0.00 175.10 174.54 2oi7 s VAL 9 N -0.93 1.74 -0.25 2.92 1.01 0.29 0.15 120.40 125.33 2oi7 s VAL 9 Ca 0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2oi7 s VAL 9 Cb -0.10 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 2oi7 s VAL 9 CO 0.05 0.49 0.01 -0.63 0.00 0.00 0.00 175.10 175.01 2oi7 s ILE 10 N 1.26 3.63 -0.07 2.22 1.01 0.19 -0.95 121.20 128.50 2oi7 s ILE 10 Ca 0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 2oi7 s ILE 10 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2oi7 s ILE 10 CO -0.08 0.27 0.57 -0.76 0.00 0.00 0.00 174.94 174.94 2oi7 s LEU 11 N 1.49 4.33 -0.10 2.97 1.43 -0.88 -0.29 118.68 127.63 2oi7 s LEU 11 Ca 0.04 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 54.23 2oi7 s LEU 11 Cb -0.16 -2.86 0.18 0.00 0.03 0.00 0.00 46.19 43.39 2oi7 s LEU 11 CO -0.01 -0.00 1.16 0.00 0.23 0.00 0.00 176.35 177.74 2oi7 n ALA 12 N 3.43 3.31 1.32 4.21 0.00 0.16 -1.60 120.51 131.34 2oi7 n ALA 12 Ca -0.05 -1.09 0.13 0.00 0.00 0.00 0.00 53.44 52.43 2oi7 n ALA 12 Cb 0.51 -0.53 0.39 0.00 0.00 0.00 0.00 19.45 19.82 2oi7 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 n ALA 13 N -0.36 2.54 -1.68 0.00 0.00 -1.11 -4.32 120.51 115.57 2oi7 n ALA 13 Ca -0.19 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.39 2oi7 n ALA 13 Cb 0.81 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 19.21 2oi7 n ALA 13 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2oi7 s GLY 14 N -1.97 2.25 -0.13 0.00 0.00 -1.26 -4.19 107.32 102.02 2oi7 s GLY 14 Ca 0.35 0.49 -0.21 0.00 0.00 0.00 0.00 44.72 45.35 2oi7 s GLY 14 CO 0.32 0.82 0.60 0.54 0.00 0.00 0.00 173.10 175.38 2oi7 s LYS 15 N -3.84 4.33 -1.28 2.90 1.02 -1.26 -4.95 119.74 116.66 2oi7 s LYS 15 Ca 0.66 0.64 -0.06 0.00 0.02 0.00 0.00 55.97 57.23 2oi7 s LYS 15 Cb -0.17 -3.49 0.16 0.00 -0.52 0.00 0.00 37.83 33.81 2oi7 s LYS 15 CO 0.33 -0.01 2.19 0.41 -0.92 0.00 0.00 175.35 177.36 2oi7 n GLY 16 N 3.40 5.22 0.16 -3.33 0.00 -1.26 -4.83 105.19 104.55 2oi7 n GLY 16 Ca -0.03 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 2oi7 n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2oi7 h THR 17 N 2.82 0.69 0.00 2.61 2.02 -1.94 -2.26 112.91 116.85 2oi7 h THR 17 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.79 2oi7 h THR 17 Cb 0.38 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2oi7 h THR 17 CO 1.47 0.00 0.00 0.54 0.37 0.00 0.00 175.52 177.90 2oi7 n ARG 18 N -5.25 0.31 0.01 6.66 1.74 -1.26 -1.41 116.66 117.46 2oi7 n ARG 18 Ca -0.04 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.10 2oi7 n ARG 18 Cb 0.17 -1.05 -0.12 0.00 -1.02 0.00 0.00 32.46 30.45 2oi7 n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2oi7 n MET 19 N -0.23 0.65 -3.83 5.56 2.81 -0.85 -4.43 117.12 116.80 2oi7 n MET 19 Ca 0.00 -0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.60 2oi7 n MET 19 Cb 0.02 -1.64 0.01 0.00 -0.71 0.00 0.00 33.22 30.90 2oi7 n MET 19 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2oi7 n TYR 20 N -2.53 -1.77 -4.13 2.03 4.02 -0.50 -4.86 117.16 109.42 2oi7 n TYR 20 Ca -0.08 0.69 -0.16 0.00 -0.01 0.00 0.00 57.90 58.34 2oi7 n TYR 20 Cb 0.69 -3.80 -0.12 0.00 -0.02 0.00 0.00 39.34 36.09 2oi7 n TYR 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2oi7 s SER 21 N -4.13 1.29 -0.09 7.72 0.15 -1.26 -5.01 113.70 112.37 2oi7 s SER 21 Ca 0.13 -0.57 0.11 0.00 0.70 0.00 0.00 55.95 56.31 2oi7 s SER 21 Cb -0.05 -0.01 0.47 0.00 -1.71 0.00 0.00 66.02 64.72 2oi7 s SER 21 CO 0.86 -0.13 1.31 0.47 1.20 0.00 0.00 173.24 176.95 2oi7 n ASP 22 N 1.41 3.34 -4.21 5.45 8.00 -1.26 -4.83 116.55 124.45 2oi7 n ASP 22 Ca -0.22 -2.34 -0.29 0.00 0.71 0.00 0.00 54.79 52.66 2oi7 n ASP 22 Cb 0.54 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.99 2oi7 n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2oi7 s LEU 23 N -1.42 2.01 0.15 0.64 2.96 -1.26 -5.09 118.68 116.66 2oi7 s LEU 23 Ca 0.33 -0.42 -0.34 0.00 -0.22 0.00 0.00 54.13 53.47 2oi7 s LEU 23 Cb 0.22 -1.16 -0.15 0.00 0.50 0.00 0.00 46.19 45.60 2oi7 s LEU 23 CO 0.15 0.22 1.46 -2.65 -1.32 0.00 0.00 176.35 174.20 2oi7 n PRO 24 N 2.92 1.76 -0.36 0.98 -0.02 -1.26 -4.87 135.00 134.15 2oi7 n PRO 24 Ca -0.17 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2oi7 n PRO 24 Cb 0.52 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.58 2oi7 n PRO 24 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2oi7 h LYS 25 N 5.14 -0.04 0.00 -0.52 3.64 -1.92 0.16 116.57 123.02 2oi7 h LYS 25 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2oi7 h LYS 25 Cb 1.29 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2oi7 h LYS 25 CO 0.83 -0.03 0.19 1.33 -2.27 0.00 0.00 179.45 179.50 2oi7 n VAL 26 N -5.10 0.93 0.62 2.00 0.24 -1.26 -0.55 118.33 115.20 2oi7 n VAL 26 Ca 0.01 0.68 0.12 0.00 -2.04 0.00 0.00 64.34 63.11 2oi7 n VAL 26 Cb 0.25 -1.68 0.22 0.00 -1.47 0.00 0.00 33.84 31.16 2oi7 n VAL 26 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2oi7 n LEU 27 N -1.91 0.68 -4.70 1.34 4.77 0.54 -0.55 117.00 117.17 2oi7 n LEU 27 Ca -0.01 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2oi7 n LEU 27 Cb 0.21 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2oi7 n LEU 27 CO 0.05 -0.05 1.32 -1.00 -1.33 0.00 0.00 177.39 176.38 2oi7 s HIS 28 N -3.14 2.61 0.58 -1.77 3.76 0.29 -4.50 115.29 113.11 2oi7 s HIS 28 Ca 0.07 0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 55.16 2oi7 s HIS 28 Cb 0.14 -4.00 -0.04 0.00 1.11 0.00 0.00 32.58 29.79 2oi7 s HIS 28 CO 0.70 -3.91 1.13 0.95 -0.85 0.00 0.00 174.74 172.76 2oi7 s THR 29 N 2.10 3.13 -0.13 1.30 -4.23 -1.26 -1.54 115.64 115.01 2oi7 s THR 29 Ca 0.74 0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 61.87 2oi7 s THR 29 Cb -0.43 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.25 2oi7 s THR 29 CO 0.33 -0.20 0.20 -0.22 -0.54 0.00 0.00 174.62 174.18 2oi7 s LEU 30 N -4.08 -0.11 -1.39 4.79 0.20 0.21 -4.82 118.68 113.48 2oi7 s LEU 30 Ca 0.72 0.19 -0.09 0.00 0.69 0.00 0.00 54.13 55.63 2oi7 s LEU 30 Cb -0.24 0.37 0.03 0.00 -0.43 0.00 0.00 46.19 45.92 2oi7 s LEU 30 CO 0.31 -0.27 1.12 0.00 -0.29 0.00 0.00 176.35 177.22 2oi7 n ALA 31 N 5.33 -1.37 -0.44 5.97 0.00 -1.26 -2.76 120.51 125.98 2oi7 n ALA 31 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2oi7 n ALA 31 Cb 0.50 -5.04 0.00 0.00 0.00 0.00 0.00 19.45 14.91 2oi7 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi7 n GLY 32 N -1.88 1.07 3.17 0.00 0.00 -1.26 -4.08 105.19 102.20 2oi7 n GLY 32 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2oi7 n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s LYS 33 N -0.40 0.71 0.35 1.61 -2.85 -1.11 -4.96 119.74 113.09 2oi7 s LYS 33 Ca 0.00 -0.82 -0.28 0.00 -1.00 0.00 0.00 55.97 53.87 2oi7 s LYS 33 Cb 0.00 0.29 -0.12 0.00 -2.06 0.00 0.00 37.83 35.94 2oi7 s LYS 33 CO 0.00 -0.20 1.43 0.00 0.10 0.00 0.00 175.35 176.68 2oi7 n ALA 34 N 0.41 2.01 -0.23 0.59 0.00 -1.26 0.68 120.51 122.71 2oi7 n ALA 34 Ca -0.17 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.64 2oi7 n ALA 34 Cb 0.60 -2.37 0.11 0.00 0.00 0.00 0.00 19.45 17.80 2oi7 n ALA 34 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2oi7 h MET 35 N 3.05 0.08 -0.35 0.00 4.05 -0.85 -0.20 114.93 120.71 2oi7 h MET 35 Ca -0.49 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 2oi7 h MET 35 Cb 1.25 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 2oi7 h MET 35 CO 0.65 0.05 0.17 -0.24 0.23 0.00 0.00 176.91 177.78 2oi7 h VAL 36 N 0.08 1.12 -0.63 -5.77 3.04 -0.91 -1.69 116.25 111.49 2oi7 h VAL 36 Ca 0.35 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 2oi7 h VAL 36 Cb 0.59 0.67 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 2oi7 h VAL 36 CO -0.62 0.14 0.30 -0.61 -1.01 0.00 0.00 177.57 175.78 2oi7 h GLN 37 N 0.49 0.90 -0.74 4.17 5.75 -1.29 -0.39 115.11 123.99 2oi7 h GLN 37 Ca 0.13 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2oi7 h GLN 37 Cb 0.05 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 2oi7 h GLN 37 CO -0.02 0.69 0.48 0.45 -2.65 0.00 0.00 178.83 177.79 2oi7 h HIS 38 N 0.89 0.91 -0.22 3.99 3.86 -0.83 -0.40 115.15 123.36 2oi7 h HIS 38 Ca 0.22 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 2oi7 h HIS 38 Cb 0.09 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2oi7 h HIS 38 CO 0.01 0.55 0.02 0.28 0.86 0.00 0.00 177.93 179.65 2oi7 h VAL 39 N 0.97 1.24 -0.66 2.45 2.07 -1.24 -2.42 116.25 118.66 2oi7 h VAL 39 Ca 0.28 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2oi7 h VAL 39 Cb -0.07 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2oi7 h VAL 39 CO -0.08 0.25 0.41 0.40 0.02 0.00 0.00 177.57 178.57 2oi7 h ILE 40 N 0.15 1.08 -0.28 4.57 2.04 -0.78 -1.11 117.51 123.18 2oi7 h ILE 40 Ca 0.06 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2oi7 h ILE 40 Cb 0.36 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2oi7 h ILE 40 CO 0.01 0.14 0.11 0.44 0.00 0.00 0.00 178.15 178.86 2oi7 h ASP 41 N 0.79 0.15 -0.69 1.72 3.45 -0.92 -0.08 116.42 120.84 2oi7 h ASP 41 Ca 0.27 0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.78 2oi7 h ASP 41 Cb 0.03 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.76 2oi7 h ASP 41 CO -0.11 0.12 0.46 0.00 -1.57 0.00 0.00 179.24 178.13 2oi7 h ALA 42 N 1.16 1.61 0.35 3.45 0.00 -1.14 0.56 119.26 125.25 2oi7 h ALA 42 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2oi7 h ALA 42 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2oi7 h ALA 42 CO -0.11 0.32 -0.17 0.00 0.00 0.00 0.00 179.25 179.29 2oi7 h ALA 43 N 1.60 -0.47 -0.47 0.00 0.00 0.21 -1.23 119.26 118.89 2oi7 h ALA 43 Ca 0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2oi7 h ALA 43 Cb 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2oi7 h ALA 43 CO -0.08 -0.70 -0.13 -0.91 0.00 0.00 0.00 179.25 177.43 2oi7 h ASN 44 N -0.59 0.89 0.04 0.00 2.35 -0.66 -1.85 115.58 115.75 2oi7 h ASN 44 Ca -0.05 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 2oi7 h ASN 44 Cb 0.43 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2oi7 h ASN 44 CO 0.08 1.03 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.75 2oi7 h GLU 45 N 0.79 0.05 0.00 0.81 4.81 0.17 0.66 114.58 121.87 2oi7 h GLU 45 Ca 0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2oi7 h GLU 45 Cb 0.66 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2oi7 h GLU 45 CO 0.05 0.11 0.00 1.25 -0.73 0.00 0.00 179.01 179.68 2oi7 h LEU 46 N 0.05 0.00 0.00 1.64 5.85 -0.67 -3.47 115.31 118.71 2oi7 h LEU 46 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2oi7 h LEU 46 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2oi7 h LEU 46 CO 0.01 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.72 2oi7 n GLY 47 N 1.03 1.37 3.71 3.75 0.00 0.22 -5.07 105.19 110.20 2oi7 n GLY 47 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2oi7 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 n ALA 48 N -1.25 2.31 -0.00 4.61 0.00 -0.75 -4.78 120.51 120.65 2oi7 n ALA 48 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 2oi7 n ALA 48 Cb 0.00 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 16.91 2oi7 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 h ALA 49 N 6.10 -0.11 -4.25 0.00 0.00 -1.26 -3.44 119.26 116.30 2oi7 h ALA 49 Ca -0.44 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 2oi7 h ALA 49 Cb 1.22 0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.77 2oi7 h ALA 49 CO 0.90 -0.16 -0.84 -1.01 0.00 0.00 0.00 179.25 178.14 2oi7 s HIS 50 N -2.80 1.77 -0.36 0.00 3.76 -1.26 -4.87 115.29 111.53 2oi7 s HIS 50 Ca -0.13 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2oi7 s HIS 50 Cb -0.01 -1.11 0.09 0.00 1.11 0.00 0.00 32.58 32.67 2oi7 s HIS 50 CO 0.47 0.02 0.12 0.08 -0.85 0.00 0.00 174.74 174.57 2oi7 s VAL 51 N -0.60 3.02 -0.17 -0.90 1.01 -0.09 -0.88 120.40 121.80 2oi7 s VAL 51 Ca 0.07 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 2oi7 s VAL 51 Cb -0.08 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2oi7 s VAL 51 CO 0.00 -0.50 0.72 -1.00 0.00 0.00 0.00 175.10 174.33 2oi7 s HIS 52 N 1.13 3.42 -0.26 5.22 3.76 0.12 -1.00 115.29 127.69 2oi7 s HIS 52 Ca 0.05 1.11 -0.05 0.00 -0.15 0.00 0.00 55.06 56.01 2oi7 s HIS 52 Cb -0.21 -2.89 0.01 0.00 1.11 0.00 0.00 32.58 30.60 2oi7 s HIS 52 CO -0.04 -0.16 0.02 -1.17 -0.85 0.00 0.00 174.74 172.54 2oi7 s LEU 53 N 1.84 3.44 -0.27 0.89 0.20 -0.10 0.57 118.68 125.25 2oi7 s LEU 53 Ca 0.34 -0.62 -0.16 0.00 0.69 0.00 0.00 54.13 54.38 2oi7 s LEU 53 Cb -0.16 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 2oi7 s LEU 53 CO 0.12 -0.12 0.42 -0.69 -0.29 0.00 0.00 176.35 175.79 2oi7 s VAL 54 N 1.47 5.14 0.26 1.68 1.01 0.61 -0.31 120.40 130.26 2oi7 s VAL 54 Ca 0.03 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.75 2oi7 s VAL 54 Cb -0.16 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2oi7 s VAL 54 CO -0.00 0.14 -0.10 -0.72 0.00 0.00 0.00 175.10 174.41 2oi7 s TYR 55 N 2.13 1.97 -0.05 5.22 -0.85 -0.32 -0.66 117.35 124.79 2oi7 s TYR 55 Ca 0.17 -0.60 -0.04 0.00 -0.52 0.00 0.00 57.07 56.08 2oi7 s TYR 55 Cb -0.16 -1.03 -0.03 0.00 0.38 0.00 0.00 41.96 41.12 2oi7 s TYR 55 CO 0.10 0.39 -0.10 0.41 -1.52 0.00 0.00 175.55 174.82 2oi7 n GLY 56 N -0.55 -0.15 2.52 5.49 0.00 -1.26 -0.74 105.19 110.50 2oi7 n GLY 56 Ca -0.06 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2oi7 n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2oi7 n HIS 57 N -3.51 -0.63 -1.28 1.61 -0.00 -1.26 -4.78 115.22 105.36 2oi7 n HIS 57 Ca -0.12 -2.20 -0.10 0.00 0.46 0.00 0.00 57.72 55.76 2oi7 n HIS 57 Cb 0.45 0.23 -0.04 0.00 -0.12 0.00 0.00 29.99 30.51 2oi7 n HIS 57 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2oi7 n GLY 58 N -0.50 0.96 0.36 1.57 0.00 -1.26 -4.80 105.19 101.52 2oi7 n GLY 58 Ca 0.06 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.22 2oi7 n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oi7 h GLY 59 N 0.00 0.00 0.69 -0.02 0.00 -1.98 -0.32 103.07 101.43 2oi7 h GLY 59 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2oi7 h GLY 59 CO 0.29 0.00 -0.02 -1.80 0.00 0.00 0.00 176.54 175.01 2oi7 h ASP 60 N 0.00 0.14 0.01 0.19 3.58 -1.99 -0.72 116.42 117.62 2oi7 h ASP 60 Ca 0.12 -0.37 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 2oi7 h ASP 60 Cb 0.73 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2oi7 h ASP 60 CO -0.00 0.48 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.52 2oi7 h LEU 61 N -0.21 0.40 0.44 2.28 3.38 -1.59 -2.26 115.31 117.76 2oi7 h LEU 61 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2oi7 h LEU 61 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2oi7 h LEU 61 CO 0.01 0.65 -0.21 -0.07 0.09 0.00 0.00 178.44 178.90 2oi7 h LEU 62 N 0.35 -0.51 -2.11 1.67 3.38 -0.95 0.67 115.31 117.81 2oi7 h LEU 62 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2oi7 h LEU 62 Cb 0.64 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2oi7 h LEU 62 CO 0.05 -0.22 -0.04 0.11 0.09 0.00 0.00 178.44 178.42 2oi7 h LYS 63 N -0.79 0.00 0.05 1.13 1.57 -1.14 0.18 116.57 117.56 2oi7 h LYS 63 Ca -0.06 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 2oi7 h LYS 63 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2oi7 h LYS 63 CO 0.10 0.04 -1.04 0.37 -0.57 0.00 0.00 179.45 178.35 2oi7 h GLN 64 N 0.00 0.17 0.08 3.15 4.15 -1.16 -3.34 115.11 118.16 2oi7 h GLN 64 Ca -0.00 -0.25 -0.28 0.00 0.77 0.00 0.00 58.65 58.89 2oi7 h GLN 64 Cb 0.09 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2oi7 h GLN 64 CO 0.01 1.06 -1.39 0.00 -1.93 0.00 0.00 178.83 176.58 2oi7 h ALA 65 N 0.83 0.33 -3.29 3.38 0.00 0.25 -3.45 119.26 117.31 2oi7 h ALA 65 Ca -0.07 -1.08 -0.63 0.00 0.00 0.00 0.00 54.91 53.13 2oi7 h ALA 65 Cb 1.75 0.17 -0.19 0.00 0.00 0.00 0.00 17.79 19.52 2oi7 h ALA 65 CO 0.16 1.20 -0.62 -0.51 0.00 0.00 0.00 179.25 179.48 2oi7 s LEU 66 N -6.82 3.51 -0.39 0.00 1.43 0.51 -5.03 118.68 111.89 2oi7 s LEU 66 Ca -0.05 -0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.13 2oi7 s LEU 66 Cb 0.08 -1.86 0.35 0.00 0.03 0.00 0.00 46.19 44.79 2oi7 s LEU 66 CO 0.85 0.18 0.83 0.29 0.23 0.00 0.00 176.35 178.72 2oi7 n LYS 67 N 3.48 0.99 -3.36 1.70 5.02 -1.26 -4.61 118.16 120.11 2oi7 n LYS 67 Ca -0.17 -3.06 -0.38 0.00 -2.02 0.00 0.00 58.31 52.67 2oi7 n LYS 67 Cb 0.52 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 2oi7 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oi7 s ASP 68 N -2.22 6.51 0.27 4.39 1.11 -1.26 -4.99 116.67 120.47 2oi7 s ASP 68 Ca 0.35 0.60 -0.08 0.00 0.18 0.00 0.00 52.55 53.61 2oi7 s ASP 68 Cb 0.35 -2.25 0.45 0.00 1.07 0.00 0.00 42.92 42.54 2oi7 s ASP 68 CO -0.07 -0.07 1.58 -2.24 1.18 0.00 0.00 175.17 175.56 2oi7 h ASP 69 N 7.21 -0.75 -0.35 0.27 3.04 -2.02 0.43 116.42 124.25 2oi7 h ASP 69 Ca -0.37 0.27 -0.16 0.00 -3.24 0.00 0.00 57.03 53.52 2oi7 h ASP 69 Cb 1.16 0.53 -0.10 0.00 -1.04 0.00 0.00 39.33 39.89 2oi7 h ASP 69 CO 0.73 -0.30 0.21 -0.46 -2.04 0.00 0.00 179.24 177.38 2oi7 n ASN 70 N -5.55 3.20 -4.45 4.15 6.94 -1.26 -4.84 115.26 113.45 2oi7 n ASN 70 Ca 0.15 -2.56 -0.44 0.00 -0.02 0.00 0.00 54.58 51.72 2oi7 n ASN 70 Cb 0.50 -0.62 -0.05 0.00 -2.36 0.00 0.00 39.78 37.25 2oi7 n ASN 70 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2oi7 s LEU 71 N -1.19 4.76 -0.35 -4.53 1.43 0.14 -0.91 118.68 118.03 2oi7 s LEU 71 Ca 0.21 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 2oi7 s LEU 71 Cb 0.17 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2oi7 s LEU 71 CO 0.04 -1.10 0.35 0.21 0.23 0.00 0.00 176.35 176.08 2oi7 s ASN 72 N 3.08 6.16 -0.11 2.29 3.04 -0.17 -4.97 114.94 124.26 2oi7 s ASN 72 Ca 0.19 -0.33 -0.30 0.00 0.04 0.00 0.00 52.86 52.47 2oi7 s ASN 72 Cb -0.18 -2.19 -0.01 0.00 -1.54 0.00 0.00 41.25 37.33 2oi7 s ASN 72 CO 0.12 -0.35 1.07 0.26 -3.04 0.00 0.00 177.10 175.17 2oi7 s TRP 73 N 1.96 3.38 -0.18 0.43 0.52 -1.26 -0.93 118.94 122.87 2oi7 s TRP 73 Ca 0.11 1.46 0.01 0.00 0.02 0.00 0.00 56.10 57.69 2oi7 s TRP 73 Cb -0.17 -3.27 0.02 0.00 -1.15 0.00 0.00 33.47 28.90 2oi7 s TRP 73 CO 0.12 -0.59 -0.17 0.08 0.02 0.00 0.00 176.95 176.40 2oi7 s VAL 74 N 2.29 1.91 0.23 4.03 1.01 0.57 -4.93 120.40 125.52 2oi7 s VAL 74 Ca 0.50 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 2oi7 s VAL 74 Cb -0.20 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 2oi7 s VAL 74 CO 0.17 0.47 0.77 -0.22 0.00 0.00 0.00 175.10 176.29 2oi7 s LEU 75 N 1.34 4.38 -0.44 3.92 2.96 -1.26 -1.17 118.68 128.41 2oi7 s LEU 75 Ca 0.04 1.52 0.02 0.00 -0.22 0.00 0.00 54.13 55.49 2oi7 s LEU 75 Cb -0.13 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.11 2oi7 s LEU 75 CO -0.12 0.05 0.28 -1.58 -1.32 0.00 0.00 176.35 173.66 2oi7 s GLN 76 N -1.84 1.15 0.18 1.98 0.74 0.08 -4.86 119.66 117.08 2oi7 s GLN 76 Ca 0.43 -2.01 -0.21 0.00 0.05 0.00 0.00 55.36 53.62 2oi7 s GLN 76 Cb -0.18 -1.99 0.11 0.00 1.10 0.00 0.00 33.01 32.06 2oi7 s GLN 76 CO 0.22 -1.24 1.60 0.00 -0.55 0.00 0.00 175.29 175.32 2oi7 h ALA 77 N 6.40 -0.04 -3.59 1.58 0.00 -1.86 -3.39 119.26 118.34 2oi7 h ALA 77 Ca 0.09 0.15 -0.68 0.00 0.00 0.00 0.00 54.91 54.47 2oi7 h ALA 77 Cb 0.91 0.72 -0.19 0.00 0.00 0.00 0.00 17.79 19.23 2oi7 h ALA 77 CO 0.43 -0.66 -0.69 -1.21 0.00 0.00 0.00 179.25 177.12 2oi7 s GLU 78 N -6.02 2.86 -1.25 0.00 2.02 -1.26 -4.97 118.70 110.08 2oi7 s GLU 78 Ca -0.14 -0.53 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 2oi7 s GLU 78 Cb 0.15 -2.64 0.17 0.00 0.10 0.00 0.00 34.13 31.92 2oi7 s GLU 78 CO 0.69 0.62 1.70 1.04 0.02 0.00 0.00 175.26 179.33 2oi7 n GLN 79 N 2.35 3.55 -0.51 1.61 3.00 -1.26 -4.75 117.38 121.38 2oi7 n GLN 79 Ca -0.18 -3.69 -0.04 0.00 -0.01 0.00 0.00 57.00 53.08 2oi7 n GLN 79 Cb 0.53 -2.95 0.13 0.00 0.00 0.00 0.00 30.24 27.95 2oi7 n GLN 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2oi7 n LEU 80 N 4.44 4.05 0.00 1.08 4.77 -1.26 -4.96 117.00 125.12 2oi7 n LEU 80 Ca 0.38 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 2oi7 n LEU 80 Cb 0.39 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2oi7 n LEU 80 CO 0.74 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 2oi7 n GLY 81 N -0.01 2.99 0.33 -0.72 0.00 -1.26 -0.95 105.19 105.56 2oi7 n GLY 81 Ca 0.21 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.45 2oi7 n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oi7 h THR 82 N 0.00 0.98 -0.13 2.61 1.35 -1.92 -1.03 112.91 114.76 2oi7 h THR 82 Ca 0.00 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 2oi7 h THR 82 Cb 0.00 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2oi7 h THR 82 CO 0.00 0.07 -0.07 1.23 -0.25 0.00 0.00 175.52 176.50 2oi7 h GLY 83 N 0.39 0.31 0.63 5.82 0.00 0.15 -0.86 103.07 109.51 2oi7 h GLY 83 Ca 0.20 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2oi7 h GLY 83 CO -0.05 0.26 0.25 0.84 0.00 0.00 0.00 176.54 177.84 2oi7 h HIS 84 N -0.06 0.46 -0.08 5.60 6.17 -1.38 -1.10 115.15 124.76 2oi7 h HIS 84 Ca 0.03 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.15 2oi7 h HIS 84 Cb 0.55 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.33 2oi7 h HIS 84 CO 0.07 0.20 -0.02 0.00 0.71 0.00 0.00 177.93 178.88 2oi7 h ALA 85 N 1.32 0.05 -0.04 5.26 0.00 -1.05 -2.01 119.26 122.79 2oi7 h ALA 85 Ca 0.25 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2oi7 h ALA 85 Cb 0.20 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2oi7 h ALA 85 CO -0.20 -0.49 0.03 0.52 0.00 0.00 0.00 179.25 179.10 2oi7 h MET 86 N -0.01 0.01 0.00 0.00 2.86 -0.62 -1.40 114.93 115.77 2oi7 h MET 86 Ca 0.04 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2oi7 h MET 86 Cb 0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2oi7 h MET 86 CO -0.09 0.01 -0.32 1.96 1.06 0.00 0.00 176.91 179.53 2oi7 h GLN 87 N 0.01 0.00 -0.12 1.72 4.20 -0.46 -0.05 115.11 120.40 2oi7 h GLN 87 Ca 0.02 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 2oi7 h GLN 87 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2oi7 h GLN 87 CO -0.00 0.32 -0.47 1.96 -0.67 0.00 0.00 178.83 179.96 2oi7 h GLN 88 N 0.00 0.32 0.00 1.46 1.08 -1.04 -3.01 115.11 113.92 2oi7 h GLN 88 Ca -0.00 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2oi7 h GLN 88 Cb 0.63 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2oi7 h GLN 88 CO 0.04 0.73 -1.19 0.00 -0.95 0.00 0.00 178.83 177.45 2oi7 n ALA 89 N -2.48 2.47 -0.31 3.87 0.00 -1.03 -4.42 120.51 118.60 2oi7 n ALA 89 Ca -0.02 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.16 2oi7 n ALA 89 Cb 0.53 -1.04 0.15 0.00 0.00 0.00 0.00 19.45 19.10 2oi7 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 h ALA 90 N 1.91 0.70 -1.10 0.00 0.00 -0.87 0.12 119.26 120.02 2oi7 h ALA 90 Ca -0.03 0.33 0.31 0.00 0.00 0.00 0.00 54.91 55.52 2oi7 h ALA 90 Cb 1.09 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 2oi7 h ALA 90 CO 0.01 -0.43 0.75 -1.35 0.00 0.00 0.00 179.25 178.24 2oi7 h PRO 91 N 0.01 0.17 -0.66 0.00 0.11 -1.77 0.17 132.00 130.03 2oi7 h PRO 91 Ca 0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2oi7 h PRO 91 Cb 0.75 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2oi7 h PRO 91 CO -0.88 0.11 0.00 1.19 -0.21 0.00 0.00 178.00 178.21 2oi7 n PHE 92 N -4.39 0.88 -3.28 0.65 3.01 0.40 -4.88 117.46 109.85 2oi7 n PHE 92 Ca 0.25 -0.33 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 2oi7 n PHE 92 Cb 1.07 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 40.25 2oi7 n PHE 92 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2oi7 s PHE 93 N -1.77 3.37 0.01 1.38 2.99 0.58 -5.04 117.98 119.50 2oi7 s PHE 93 Ca 0.27 0.73 -0.30 0.00 0.00 0.00 0.00 56.93 57.62 2oi7 s PHE 93 Cb 0.18 -2.63 -0.05 0.00 0.00 0.00 0.00 43.02 40.52 2oi7 s PHE 93 CO 0.11 -0.08 1.34 0.00 -0.00 0.00 0.00 175.22 176.59 2oi7 s ALA 94 N 1.55 3.55 0.29 5.36 0.00 -1.26 -4.81 121.76 126.44 2oi7 s ALA 94 Ca 0.23 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.08 2oi7 s ALA 94 Cb -0.15 -3.56 0.71 0.00 0.00 0.00 0.00 23.12 20.11 2oi7 s ALA 94 CO 0.09 -0.81 1.74 -0.44 0.00 0.00 0.00 175.76 176.34 2oi7 h ASP 95 N 7.57 0.56 -0.47 0.00 3.32 -1.96 -1.09 116.42 124.36 2oi7 h ASP 95 Ca -0.38 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2oi7 h ASP 95 Cb 1.18 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2oi7 h ASP 95 CO 0.89 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.65 2oi7 n ASP 96 N -4.90 4.31 -4.55 6.45 5.68 -1.26 -3.29 116.55 119.00 2oi7 n ASP 96 Ca 0.22 -2.57 -0.24 0.00 -0.50 0.00 0.00 54.79 51.70 2oi7 n ASP 96 Cb 0.59 -0.59 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 2oi7 n ASP 96 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2oi7 s GLU 97 N -2.13 1.96 0.26 0.11 -1.05 -0.41 -4.66 118.70 112.78 2oi7 s GLU 97 Ca 0.41 -1.56 -0.12 0.00 -0.15 0.00 0.00 54.97 53.55 2oi7 s GLU 97 Cb 0.29 -1.97 -0.08 0.00 -0.44 0.00 0.00 34.13 31.94 2oi7 s GLU 97 CO 0.15 0.36 0.61 -0.51 0.95 0.00 0.00 175.26 176.82 2oi7 s ASP 98 N -3.46 6.69 -0.16 0.83 1.01 0.10 -0.90 116.67 120.77 2oi7 s ASP 98 Ca 0.30 1.05 0.01 0.00 0.71 0.00 0.00 52.55 54.61 2oi7 s ASP 98 Cb -0.06 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.61 2oi7 s ASP 98 CO 0.17 -0.11 -0.15 -0.63 0.21 0.00 0.00 175.17 174.65 2oi7 s ILE 99 N -1.86 1.72 -0.22 0.77 -1.09 0.12 0.31 121.20 120.95 2oi7 s ILE 99 Ca 0.49 -0.77 -0.08 0.00 -2.23 0.00 0.00 60.65 58.06 2oi7 s ILE 99 Cb -0.11 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 2oi7 s ILE 99 CO 0.20 0.44 0.09 -0.22 -1.23 0.00 0.00 174.94 174.22 2oi7 s LEU 100 N 1.42 3.75 -0.15 2.97 2.96 0.12 -1.50 118.68 128.25 2oi7 s LEU 100 Ca 0.04 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2oi7 s LEU 100 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2oi7 s LEU 100 CO -0.11 0.08 0.13 -0.32 -1.32 0.00 0.00 176.35 174.81 2oi7 s MET 101 N 0.92 3.67 0.06 1.98 -2.45 -0.29 -0.55 119.30 122.65 2oi7 s MET 101 Ca 0.05 -0.18 -0.01 0.00 -1.25 0.00 0.00 55.69 54.30 2oi7 s MET 101 Cb -0.14 -3.24 -0.04 0.00 1.25 0.00 0.00 34.83 32.66 2oi7 s MET 101 CO 0.03 0.61 -0.02 -0.51 1.05 0.00 0.00 175.02 176.17 2oi7 s LEU 102 N -0.54 2.42 -0.09 4.11 1.43 -0.13 -3.60 118.68 122.29 2oi7 s LEU 102 Ca 0.12 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2oi7 s LEU 102 Cb -0.12 0.19 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 2oi7 s LEU 102 CO 0.02 -0.60 0.14 -0.31 0.23 0.00 0.00 176.35 175.83 2oi7 s TYR 103 N -3.91 3.56 -0.87 0.29 4.12 -1.26 -2.08 117.35 117.20 2oi7 s TYR 103 Ca 0.09 0.46 0.24 0.00 0.02 0.00 0.00 57.07 57.88 2oi7 s TYR 103 Cb 0.08 -1.90 0.95 0.00 -1.52 0.00 0.00 41.96 39.57 2oi7 s TYR 103 CO -0.09 0.70 1.74 0.41 0.02 0.00 0.00 175.55 178.34 2oi7 n GLY 104 N 1.70 -1.38 1.17 0.71 0.00 -0.63 -3.15 105.19 103.62 2oi7 n GLY 104 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2oi7 n GLY 104 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oi7 n ASP 105 N -1.76 3.37 -3.56 1.61 5.68 -1.26 -3.72 116.55 116.91 2oi7 n ASP 105 Ca 0.05 -3.39 -0.27 0.00 -0.50 0.00 0.00 54.79 50.69 2oi7 n ASP 105 Cb 0.30 -0.62 -0.10 0.00 -1.14 0.00 0.00 41.12 39.56 2oi7 n ASP 105 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2oi7 n VAL 106 N -0.78 0.75 0.27 2.12 0.31 -1.19 -1.31 118.33 118.50 2oi7 n VAL 106 Ca 0.30 -4.47 0.14 0.00 -0.01 0.00 0.00 64.34 60.31 2oi7 n VAL 106 Cb 1.04 -2.00 0.72 0.00 -0.91 0.00 0.00 33.84 32.69 2oi7 n VAL 106 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2oi7 h PRO 107 N 4.96 0.00 -0.05 5.55 0.13 -1.82 -3.27 132.00 137.50 2oi7 h PRO 107 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2oi7 h PRO 107 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2oi7 h PRO 107 CO 0.62 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 2oi7 n LEU 108 N -3.38 1.45 -4.65 1.56 4.77 -1.26 -4.63 117.00 110.86 2oi7 n LEU 108 Ca -0.01 -0.52 -0.49 0.00 -0.03 0.00 0.00 56.01 54.96 2oi7 n LEU 108 Cb 0.28 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2oi7 n LEU 108 CO 0.29 0.26 1.15 0.00 -1.33 0.00 0.00 177.39 177.76 2oi7 n ILE 109 N 0.14 0.10 -3.68 -0.08 0.13 -0.56 -4.58 119.36 110.83 2oi7 n ILE 109 Ca 0.18 -0.02 -0.29 0.00 -1.10 0.00 0.00 62.75 61.53 2oi7 n ILE 109 Cb 0.33 -1.34 -0.04 0.00 -0.84 0.00 0.00 39.64 37.76 2oi7 n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2oi7 s SER 110 N 1.41 6.42 0.18 9.51 1.04 -1.26 -4.93 113.70 126.07 2oi7 s SER 110 Ca 0.84 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 2oi7 s SER 110 Cb -0.80 -2.04 0.08 0.00 0.10 0.00 0.00 66.02 63.36 2oi7 s SER 110 CO 0.45 -0.00 1.70 0.58 0.98 0.00 0.00 173.24 176.94 2oi7 h VAL 111 N 1.75 1.25 -0.35 5.02 2.07 -1.92 -1.93 116.25 122.13 2oi7 h VAL 111 Ca -0.47 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.26 2oi7 h VAL 111 Cb 1.18 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 2oi7 h VAL 111 CO 0.70 0.33 -0.14 -0.33 0.02 0.00 0.00 177.57 178.15 2oi7 h GLU 112 N 0.89 -0.07 -0.51 1.57 3.07 -1.98 0.34 114.58 117.89 2oi7 h GLU 112 Ca 0.20 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.99 2oi7 h GLU 112 Cb 0.31 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 2oi7 h GLU 112 CO -0.00 -0.04 0.04 1.15 -1.40 0.00 0.00 179.01 178.76 2oi7 h THR 113 N -0.07 1.26 -0.57 1.13 2.02 -1.94 -0.81 112.91 113.93 2oi7 h THR 113 Ca 0.18 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 2oi7 h THR 113 Cb 0.33 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2oi7 h THR 113 CO -0.40 0.36 0.19 -0.07 0.37 0.00 0.00 175.52 175.97 2oi7 h LEU 114 N 0.75 0.79 -0.98 2.58 3.38 -0.74 -0.81 115.31 120.27 2oi7 h LEU 114 Ca 0.15 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2oi7 h LEU 114 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2oi7 h LEU 114 CO 0.02 0.74 -0.45 -0.61 0.09 0.00 0.00 178.44 178.23 2oi7 h GLN 115 N 0.83 0.13 -0.42 1.13 5.75 -0.02 -1.70 115.11 120.81 2oi7 h GLN 115 Ca 0.19 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.49 2oi7 h GLN 115 Cb 0.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2oi7 h GLN 115 CO -0.01 0.56 -0.28 0.00 -2.65 0.00 0.00 178.83 176.44 2oi7 h ARG 116 N 0.11 0.91 -0.43 1.69 3.08 -0.38 -2.82 114.38 116.54 2oi7 h ARG 116 Ca 0.01 -0.42 -0.09 0.00 0.07 0.00 0.00 59.98 59.55 2oi7 h ARG 116 Cb 0.84 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2oi7 h ARG 116 CO 0.06 1.07 -0.08 1.25 -1.07 0.00 0.00 179.97 181.20 2oi7 h LEU 117 N 0.77 0.74 -0.01 3.04 5.85 -0.84 -2.68 115.31 122.18 2oi7 h LEU 117 Ca 0.09 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2oi7 h LEU 117 Cb 0.85 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2oi7 h LEU 117 CO 0.07 0.86 -0.01 0.03 -0.34 0.00 0.00 178.44 179.06 2oi7 h ARG 118 N 0.69 -0.00 -0.65 1.25 3.08 -1.16 -2.76 114.38 114.84 2oi7 h ARG 118 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2oi7 h ARG 118 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2oi7 h ARG 118 CO 0.03 -0.00 0.40 -0.44 -1.07 0.00 0.00 179.97 178.88 2oi7 h ASP 119 N -0.00 0.77 0.34 7.04 3.32 -1.33 -2.49 116.42 124.08 2oi7 h ASP 119 Ca 0.01 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2oi7 h ASP 119 Cb 0.02 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 2oi7 h ASP 119 CO -0.02 0.60 -0.15 0.00 -1.72 0.00 0.00 179.24 177.95 2oi7 h ALA 120 N 1.21 1.36 -1.63 3.45 0.00 -1.45 -3.43 119.26 118.77 2oi7 h ALA 120 Ca 0.23 -0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.38 2oi7 h ALA 120 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2oi7 h ALA 120 CO -0.04 0.19 1.42 1.17 0.00 0.00 0.00 179.25 181.99 2oi7 n LYS 121 N -3.80 1.64 -1.82 0.00 0.00 -0.94 -4.78 118.16 108.46 2oi7 n LYS 121 Ca -0.02 0.47 -0.34 0.00 0.00 0.00 0.00 58.31 58.43 2oi7 n LYS 121 Cb 0.26 -2.86 0.04 0.00 0.00 0.00 0.00 35.03 32.47 2oi7 n LYS 121 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2oi7 s PRO 122 N 6.03 2.83 0.05 1.64 0.02 -1.26 -4.93 135.00 139.38 2oi7 s PRO 122 Ca 1.03 1.49 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 2oi7 s PRO 122 Cb -0.59 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 31.91 2oi7 s PRO 122 CO 0.43 -1.24 1.64 -1.14 -0.33 0.00 0.00 177.00 176.35 2oi7 s GLN 123 N -3.90 4.20 0.00 5.54 -0.44 -1.26 -0.82 119.66 122.98 2oi7 s GLN 123 Ca 0.69 2.29 0.00 0.00 -2.50 0.00 0.00 55.36 55.85 2oi7 s GLN 123 Cb -0.22 -3.64 0.00 0.00 -1.64 0.00 0.00 33.01 27.51 2oi7 s GLN 123 CO 0.39 -0.73 0.00 0.41 0.50 0.00 0.00 175.29 175.86 2oi7 n GLY 124 N 3.98 1.16 0.00 2.59 0.00 -1.26 -4.90 105.19 106.76 2oi7 n GLY 124 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2oi7 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oi7 n GLY 125 N -2.00 2.81 3.20 -0.02 0.00 0.00 -4.68 105.19 104.49 2oi7 n GLY 125 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 2oi7 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi7 s ILE 126 N 4.09 0.01 -0.32 -0.61 1.01 -1.05 -4.40 121.20 119.93 2oi7 s ILE 126 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2oi7 s ILE 126 Cb 0.00 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2oi7 s ILE 126 CO 0.00 -0.07 0.15 -0.83 0.00 0.00 0.00 174.94 174.20 2oi7 s GLY 127 N -0.18 1.87 -0.11 6.18 0.00 0.69 -1.57 107.32 114.20 2oi7 s GLY 127 Ca -0.03 -1.47 -0.00 0.00 0.00 0.00 0.00 44.72 43.22 2oi7 s GLY 127 CO 0.01 0.72 -0.10 -2.27 0.00 0.00 0.00 173.10 171.46 2oi7 s LEU 128 N 1.58 2.94 -0.25 0.66 2.96 -0.13 -0.46 118.68 125.99 2oi7 s LEU 128 Ca 0.04 -0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 53.60 2oi7 s LEU 128 Cb -0.17 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2oi7 s LEU 128 CO 0.06 0.23 0.35 -0.22 -1.32 0.00 0.00 176.35 175.45 2oi7 s LEU 129 N -0.05 4.08 0.21 -0.68 2.96 -0.70 -0.42 118.68 124.07 2oi7 s LEU 129 Ca -0.01 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2oi7 s LEU 129 Cb -0.14 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2oi7 s LEU 129 CO 0.03 -0.12 -0.02 0.42 -1.32 0.00 0.00 176.35 175.35 2oi7 s THR 130 N 1.73 0.99 -0.00 3.68 -4.23 0.24 -2.91 115.64 115.13 2oi7 s THR 130 Ca 0.15 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 2oi7 s THR 130 Cb -0.15 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2oi7 s THR 130 CO 0.09 -0.42 0.14 0.68 -0.54 0.00 0.00 174.62 174.57 2oi7 s VAL 131 N -3.45 0.08 -0.35 2.29 -7.23 -0.77 -4.15 120.40 106.81 2oi7 s VAL 131 Ca 0.26 -0.66 -0.13 0.00 -1.81 0.00 0.00 61.98 59.64 2oi7 s VAL 131 Cb 0.05 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2oi7 s VAL 131 CO 0.06 -0.36 0.24 -1.59 -0.31 0.00 0.00 175.10 173.15 2oi7 s LYS 132 N -1.32 3.40 0.11 4.82 -2.85 -1.26 -0.63 119.74 122.01 2oi7 s LYS 132 Ca -0.14 -0.71 0.02 0.00 -1.00 0.00 0.00 55.97 54.14 2oi7 s LYS 132 Cb -0.07 -3.82 -0.04 0.00 -2.06 0.00 0.00 37.83 31.84 2oi7 s LYS 132 CO 0.02 -0.49 0.19 -0.51 0.10 0.00 0.00 175.35 174.66 2oi7 s LEU 133 N 1.71 4.13 0.19 2.77 1.43 -0.91 -4.99 118.68 123.02 2oi7 s LEU 133 Ca 0.06 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2oi7 s LEU 133 Cb -0.18 -2.74 0.11 0.00 0.03 0.00 0.00 46.19 43.42 2oi7 s LEU 133 CO 0.10 0.11 1.73 0.44 0.23 0.00 0.00 176.35 178.96 2oi7 h ASP 134 N 2.69 1.03 -3.47 2.29 3.32 -1.98 -3.36 116.42 116.94 2oi7 h ASP 134 Ca -0.47 -0.21 -0.62 0.00 0.02 0.00 0.00 57.03 55.75 2oi7 h ASP 134 Cb 1.18 -0.27 -0.40 0.00 0.22 0.00 0.00 39.33 40.06 2oi7 h ASP 134 CO 0.69 0.96 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.82 2oi7 s ASP 135 N -6.35 4.39 -0.02 6.45 2.15 -1.26 -4.98 116.67 117.05 2oi7 s ASP 135 Ca -0.12 -1.98 0.01 0.00 0.43 0.00 0.00 52.55 50.89 2oi7 s ASP 135 Cb 0.14 -1.27 0.07 0.00 -0.30 0.00 0.00 42.92 41.56 2oi7 s ASP 135 CO 0.83 -0.39 0.66 -0.81 -0.17 0.00 0.00 175.17 175.30 2oi7 n PRO 136 N 4.45 1.30 -1.76 4.34 -0.04 -1.26 -4.93 135.00 137.10 2oi7 n PRO 136 Ca 0.02 -0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 2oi7 n PRO 136 Cb 0.41 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2oi7 n PRO 136 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2oi7 s THR 137 N -1.25 2.24 0.00 0.52 2.01 -1.26 -2.50 115.64 115.39 2oi7 s THR 137 Ca 0.04 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2oi7 s THR 137 Cb 0.03 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2oi7 s THR 137 CO 0.02 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2oi7 n GLY 138 N 4.00 0.80 3.48 4.40 0.00 -1.26 -5.05 105.19 111.56 2oi7 n GLY 138 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2oi7 n GLY 138 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oi7 s TYR 139 N -3.12 2.38 0.23 1.61 1.51 -1.04 -4.78 117.35 114.13 2oi7 s TYR 139 Ca 0.00 -0.32 -0.32 0.00 -1.01 0.00 0.00 57.07 55.42 2oi7 s TYR 139 Cb 0.00 -1.12 -0.13 0.00 -0.11 0.00 0.00 41.96 40.60 2oi7 s TYR 139 CO 0.00 0.58 1.60 0.41 -1.11 0.00 0.00 175.55 177.03 2oi7 n GLY 140 N -0.12 1.26 3.71 0.71 0.00 -1.26 -3.81 105.19 105.68 2oi7 n GLY 140 Ca -0.10 0.56 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 2oi7 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi7 s ARG 141 N 0.39 4.26 -0.19 1.61 3.00 0.21 -1.12 118.95 127.11 2oi7 s ARG 141 Ca 0.72 0.20 -0.28 0.00 0.00 0.00 0.00 55.73 56.37 2oi7 s ARG 141 Cb -0.57 -3.45 -0.00 0.00 0.00 0.00 0.00 34.95 30.93 2oi7 s ARG 141 CO 0.41 0.16 0.98 0.42 0.00 0.00 0.00 175.30 177.27 2oi7 s ILE 142 N 0.68 4.75 -0.07 1.52 -1.09 -0.15 -0.77 121.20 126.07 2oi7 s ILE 142 Ca 0.19 1.93 -0.02 0.00 -2.23 0.00 0.00 60.65 60.53 2oi7 s ILE 142 Cb -0.14 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 2oi7 s ILE 142 CO 0.06 -0.09 0.02 0.42 -1.23 0.00 0.00 174.94 174.12 2oi7 s THR 143 N 2.67 4.40 0.06 2.92 -4.23 -0.75 -4.84 115.64 115.86 2oi7 s THR 143 Ca 0.43 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.73 2oi7 s THR 143 Cb -0.16 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 2oi7 s THR 143 CO 0.11 0.57 -0.15 -0.13 -0.54 0.00 0.00 174.62 174.48 2oi7 s ARG 144 N -1.02 0.90 -0.23 3.99 0.52 -1.26 -1.11 118.95 120.74 2oi7 s ARG 144 Ca 0.15 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2oi7 s ARG 144 Cb -0.11 -0.92 0.06 0.00 0.52 0.00 0.00 34.95 34.49 2oi7 s ARG 144 CO 0.04 0.22 -0.07 -1.21 0.02 0.00 0.00 175.30 174.29 2oi7 s GLU 145 N -1.43 1.83 -1.31 3.54 2.02 0.88 -4.71 118.70 119.52 2oi7 s GLU 145 Ca 0.00 -1.04 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 2oi7 s GLU 145 Cb -0.09 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2oi7 s GLU 145 CO 0.02 -0.56 1.14 0.09 0.02 0.00 0.00 175.26 175.97 2oi7 n ASN 146 N 4.62 -6.11 0.00 -0.19 3.02 -1.26 -1.96 115.26 113.38 2oi7 n ASN 146 Ca -0.13 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2oi7 n ASN 146 Cb 0.44 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 2oi7 n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oi7 n GLY 147 N -1.94 1.80 3.73 7.41 0.00 -1.26 -5.02 105.19 109.91 2oi7 n GLY 147 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2oi7 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi7 s LYS 148 N -0.09 4.09 0.02 1.61 1.02 -0.83 -5.02 119.74 120.55 2oi7 s LYS 148 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 2oi7 s LYS 148 Cb 0.00 -3.37 -0.07 0.00 -0.52 0.00 0.00 37.83 33.87 2oi7 s LYS 148 CO 0.00 0.34 1.72 0.08 -0.92 0.00 0.00 175.35 176.57 2oi7 s VAL 149 N 0.24 3.21 -0.49 3.17 1.01 -1.26 -0.08 120.40 126.20 2oi7 s VAL 149 Ca 0.08 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.59 2oi7 s VAL 149 Cb -0.11 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2oi7 s VAL 149 CO -0.01 -0.02 0.41 0.35 0.00 0.00 0.00 175.10 175.82 2oi7 n THR 150 N 5.17 0.00 -1.51 3.92 -2.24 -0.26 -4.43 114.28 114.93 2oi7 n THR 150 Ca 0.17 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2oi7 n THR 150 Cb 0.41 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2oi7 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oi7 n GLY 151 N 1.05 -1.94 2.93 3.38 0.00 -1.22 -3.86 105.19 105.53 2oi7 n GLY 151 Ca 0.02 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 2oi7 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi7 s ILE 152 N -2.41 0.49 -0.18 -0.61 1.01 -1.26 -1.81 121.20 116.43 2oi7 s ILE 152 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 2oi7 s ILE 152 Cb 0.00 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.00 2oi7 s ILE 152 CO 0.00 0.18 -0.16 -0.69 0.00 0.00 0.00 174.94 174.28 2oi7 s VAL 153 N 0.44 2.50 0.67 2.92 1.01 0.05 -4.83 120.40 123.16 2oi7 s VAL 153 Ca -0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2oi7 s VAL 153 Cb -0.09 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2oi7 s VAL 153 CO -0.00 0.51 1.14 -1.61 0.00 0.00 0.00 175.10 175.14 2oi7 s GLU 154 N 1.16 2.66 0.20 2.72 0.41 -1.26 0.64 118.70 125.23 2oi7 s GLU 154 Ca 0.01 1.51 -0.10 0.00 -0.41 0.00 0.00 54.97 55.98 2oi7 s GLU 154 Cb -0.14 -1.92 0.25 0.00 -1.78 0.00 0.00 34.13 30.54 2oi7 s GLU 154 CO -0.06 -1.38 1.75 1.25 -0.49 0.00 0.00 175.26 176.32 2oi7 h HIS 155 N 0.03 0.40 0.00 1.61 -0.00 -1.87 0.30 115.15 115.62 2oi7 h HIS 155 Ca -0.47 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 59.89 2oi7 h HIS 155 Cb 1.26 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2oi7 h HIS 155 CO 0.52 0.12 -0.16 0.87 -0.00 0.00 0.00 177.93 179.28 2oi7 h LYS 156 N 0.42 0.00 0.00 5.26 1.79 -1.93 -2.91 116.57 119.20 2oi7 h LYS 156 Ca 0.29 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.56 2oi7 h LYS 156 Cb 0.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2oi7 h LYS 156 CO -0.28 0.16 -1.68 -0.25 -1.08 0.00 0.00 179.45 176.32 2oi7 n ASP 157 N -4.11 0.61 -4.76 0.86 8.00 -0.50 -4.86 116.55 111.78 2oi7 n ASP 157 Ca -0.02 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.39 2oi7 n ASP 157 Cb 0.24 0.50 0.02 0.00 -0.02 0.00 0.00 41.12 41.85 2oi7 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi7 s ALA 158 N -2.89 2.69 0.64 2.24 0.00 0.95 -4.95 121.76 120.44 2oi7 s ALA 158 Ca -0.05 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 2oi7 s ALA 158 Cb 0.09 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2oi7 s ALA 158 CO 0.83 -0.96 0.94 0.95 0.00 0.00 0.00 175.76 177.52 2oi7 s THR 159 N -1.62 2.97 0.16 0.00 -4.23 -1.26 -4.83 115.64 106.83 2oi7 s THR 159 Ca 0.73 -0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.89 2oi7 s THR 159 Cb -0.29 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.42 2oi7 s THR 159 CO 0.32 -0.22 1.66 0.44 -0.54 0.00 0.00 174.62 176.28 2oi7 h ASP 160 N -0.34 -0.43 -0.74 3.99 3.32 -1.97 0.15 116.42 120.40 2oi7 h ASP 160 Ca -0.45 0.12 0.10 0.00 0.02 0.00 0.00 57.03 56.82 2oi7 h ASP 160 Cb 1.29 0.26 -0.07 0.00 0.22 0.00 0.00 39.33 41.03 2oi7 h ASP 160 CO 0.60 -0.15 0.38 -0.33 -1.72 0.00 0.00 179.24 178.02 2oi7 h GLU 161 N -0.04 0.62 -0.09 3.56 3.07 -2.02 -1.19 114.58 118.48 2oi7 h GLU 161 Ca 0.18 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 2oi7 h GLU 161 Cb 0.32 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2oi7 h GLU 161 CO -0.40 0.41 -0.46 1.96 -1.40 0.00 0.00 179.01 179.13 2oi7 h GLN 162 N 0.64 0.22 0.00 2.33 4.20 -1.58 -2.21 115.11 118.71 2oi7 h GLN 162 Ca 0.37 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2oi7 h GLN 162 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2oi7 h GLN 162 CO -0.27 0.64 0.00 0.54 -0.67 0.00 0.00 178.83 179.07 2oi7 n ARG 163 N -3.99 0.18 0.16 1.46 1.74 0.41 -1.20 116.66 115.42 2oi7 n ARG 163 Ca -0.02 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 57.23 2oi7 n ARG 163 Cb 0.51 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.64 2oi7 n ARG 163 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2oi7 h GLN 164 N 0.00 0.00 -6.61 5.56 5.75 -1.28 -3.45 115.11 115.09 2oi7 h GLN 164 Ca 0.00 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.98 2oi7 h GLN 164 Cb 0.06 0.00 0.04 0.00 1.07 0.00 0.00 27.48 28.65 2oi7 h GLN 164 CO 0.00 0.50 0.90 0.42 -2.65 0.00 0.00 178.83 178.01 2oi7 s ILE 165 N -3.35 2.55 -0.80 2.39 1.01 -0.34 -4.90 121.20 117.76 2oi7 s ILE 165 Ca 0.01 0.38 0.22 0.00 0.00 0.00 0.00 60.65 61.26 2oi7 s ILE 165 Cb 0.10 -3.25 -0.21 0.00 0.01 0.00 0.00 42.46 39.11 2oi7 s ILE 165 CO 0.72 0.03 0.89 0.00 0.00 0.00 0.00 174.94 176.58 2oi7 n GLN 166 N 4.04 0.14 -2.49 2.79 6.02 -1.26 -4.79 117.38 121.83 2oi7 n GLN 166 Ca 0.14 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 2oi7 n GLN 166 Cb 0.38 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 2oi7 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2oi7 s GLU 167 N -3.11 3.55 0.25 -1.09 2.12 -1.26 -2.14 118.70 117.03 2oi7 s GLU 167 Ca 0.05 0.56 0.08 0.00 0.36 0.00 0.00 54.97 56.02 2oi7 s GLU 167 Cb 0.16 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 2oi7 s GLU 167 CO 0.85 -1.62 0.09 0.96 -0.54 0.00 0.00 175.26 175.01 2oi7 s ILE 168 N 5.15 3.94 0.01 -3.70 -5.25 0.20 -0.98 121.20 120.56 2oi7 s ILE 168 Ca 0.51 -1.63 -0.29 0.00 -0.99 0.00 0.00 60.65 58.25 2oi7 s ILE 168 Cb -0.09 -3.11 -0.04 0.00 2.95 0.00 0.00 42.46 42.17 2oi7 s ILE 168 CO 0.29 -0.34 0.92 0.21 -1.79 0.00 0.00 174.94 174.23 2oi7 s ASN 169 N -3.69 7.32 0.25 4.36 2.47 -0.28 -1.85 114.94 123.52 2oi7 s ASN 169 Ca 0.32 1.59 0.23 0.00 0.42 0.00 0.00 52.86 55.42 2oi7 s ASN 169 Cb -0.07 -2.54 0.23 0.00 -1.45 0.00 0.00 41.25 37.42 2oi7 s ASN 169 CO 0.22 -0.19 1.31 0.71 -3.72 0.00 0.00 177.10 175.44 2oi7 h THR 170 N 4.62 0.00 0.00 -5.21 1.35 -1.89 -3.41 112.91 108.38 2oi7 h THR 170 Ca -0.41 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2oi7 h THR 170 Cb 1.21 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2oi7 h THR 170 CO 0.74 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 2oi7 n GLY 171 N 1.20 2.20 3.70 5.82 0.00 -1.26 -5.02 105.19 111.83 2oi7 n GLY 171 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2oi7 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi7 s ILE 172 N -2.31 4.76 0.11 -0.61 1.01 -1.26 -4.80 121.20 118.10 2oi7 s ILE 172 Ca 0.00 2.00 -0.19 0.00 0.00 0.00 0.00 60.65 62.46 2oi7 s ILE 172 Cb 0.00 -4.28 0.04 0.00 0.01 0.00 0.00 42.46 38.23 2oi7 s ILE 172 CO 0.00 0.10 0.46 -1.48 0.00 0.00 0.00 174.94 174.01 2oi7 s LEU 173 N 1.41 0.16 -0.01 2.97 0.05 -1.24 -1.73 118.68 120.29 2oi7 s LEU 173 Ca 0.51 -0.13 0.01 0.00 0.05 0.00 0.00 54.13 54.57 2oi7 s LEU 173 Cb -0.21 2.00 -0.00 0.00 -2.05 0.00 0.00 46.19 45.93 2oi7 s LEU 173 CO 0.24 -0.82 -0.04 -0.51 -0.55 0.00 0.00 176.35 174.68 2oi7 s ILE 174 N -3.36 0.31 0.26 1.48 2.07 0.40 -1.13 121.20 121.22 2oi7 s ILE 174 Ca -0.00 -0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 58.94 2oi7 s ILE 174 Cb 0.01 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.32 2oi7 s ILE 174 CO -0.09 0.10 0.55 0.00 -1.91 0.00 0.00 174.94 173.59 2oi7 s ALA 175 N 0.01 -0.51 0.18 1.50 0.00 -0.56 -0.22 121.76 122.15 2oi7 s ALA 175 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 2oi7 s ALA 175 Cb -0.03 1.00 -0.08 0.00 0.00 0.00 0.00 23.12 24.01 2oi7 s ALA 175 CO -0.00 -0.91 1.18 1.21 0.00 0.00 0.00 175.76 177.24 2oi7 s ASN 176 N -3.00 7.11 0.22 0.00 3.84 -1.26 0.11 114.94 121.96 2oi7 s ASN 176 Ca 0.19 2.21 -0.12 0.00 0.21 0.00 0.00 52.86 55.34 2oi7 s ASN 176 Cb -0.02 -2.61 0.27 0.00 -0.55 0.00 0.00 41.25 38.34 2oi7 s ASN 176 CO 0.09 -0.35 1.62 1.23 -2.79 0.00 0.00 177.10 176.90 2oi7 h GLY 177 N 5.24 0.51 0.89 1.21 0.00 -1.17 0.32 103.07 110.08 2oi7 h GLY 177 Ca -0.44 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2oi7 h GLY 177 CO 0.74 -0.26 0.18 0.00 0.00 0.00 0.00 176.54 177.21 2oi7 h ALA 178 N 1.67 0.41 -0.56 3.60 0.00 -1.74 -1.20 119.26 121.44 2oi7 h ALA 178 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2oi7 h ALA 178 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2oi7 h ALA 178 CO -0.69 -0.18 0.35 -0.44 0.00 0.00 0.00 179.25 178.29 2oi7 h ASP 179 N 0.37 0.67 -0.53 0.00 3.32 -1.31 -2.34 116.42 116.60 2oi7 h ASP 179 Ca 0.13 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.21 2oi7 h ASP 179 Cb 0.02 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 2oi7 h ASP 179 CO -0.07 0.51 0.20 0.24 -1.72 0.00 0.00 179.24 178.40 2oi7 h MET 180 N 0.76 0.38 -0.54 3.56 2.86 -0.05 -2.24 114.93 119.66 2oi7 h MET 180 Ca 0.20 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2oi7 h MET 180 Cb -0.04 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2oi7 h MET 180 CO -0.04 0.25 0.22 0.87 1.06 0.00 0.00 176.91 179.26 2oi7 h LYS 181 N 0.39 0.81 -0.19 1.72 1.57 -0.89 0.02 116.57 119.99 2oi7 h LYS 181 Ca 0.26 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2oi7 h LYS 181 Cb 0.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2oi7 h LYS 181 CO -0.25 0.70 0.07 -0.09 -0.57 0.00 0.00 179.45 179.31 2oi7 h ARG 182 N 0.73 0.16 -0.02 3.15 2.43 -1.07 -2.03 114.38 117.73 2oi7 h ARG 182 Ca 0.18 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2oi7 h ARG 182 Cb 0.20 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2oi7 h ARG 182 CO -0.01 0.11 -0.02 -1.49 -1.51 0.00 0.00 179.97 177.04 2oi7 h TRP 183 N 0.16 0.06 -0.99 2.20 6.55 -1.35 -3.22 115.95 119.37 2oi7 h TRP 183 Ca 0.08 -0.02 0.22 0.00 0.95 0.00 0.00 58.89 60.12 2oi7 h TRP 183 Cb 0.05 -0.01 -0.10 0.00 -0.86 0.00 0.00 29.16 28.24 2oi7 h TRP 183 CO -0.11 0.48 0.62 -0.07 -1.05 0.00 0.00 178.44 178.31 2oi7 h LEU 184 N -0.37 0.60 -2.04 -4.49 3.38 -0.90 1.00 115.31 112.48 2oi7 h LEU 184 Ca 0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2oi7 h LEU 184 Cb 0.46 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2oi7 h LEU 184 CO 0.00 0.19 -0.09 0.00 0.09 0.00 0.00 178.44 178.64 2oi7 h ALA 185 N 1.64 1.26 -0.51 1.53 0.00 -1.38 -2.63 119.26 119.18 2oi7 h ALA 185 Ca 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2oi7 h ALA 185 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2oi7 h ALA 185 CO -0.32 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.67 2oi7 n LYS 186 N -3.57 2.52 -2.70 0.00 5.02 0.34 -4.95 118.16 114.81 2oi7 n LYS 186 Ca -0.02 -1.96 -0.42 0.00 -2.02 0.00 0.00 58.31 53.89 2oi7 n LYS 186 Cb 0.21 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 2oi7 n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oi7 s LEU 187 N -1.18 4.39 0.28 -0.35 1.43 -0.99 -5.04 118.68 117.22 2oi7 s LEU 187 Ca 0.36 1.70 0.12 0.00 -1.03 0.00 0.00 54.13 55.27 2oi7 s LEU 187 Cb 0.20 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 2oi7 s LEU 187 CO 0.22 -0.23 -0.17 0.42 0.23 0.00 0.00 176.35 176.81 2oi7 s THR 188 N 0.84 2.56 -0.53 5.49 -4.23 -1.26 -5.06 115.64 113.46 2oi7 s THR 188 Ca 0.51 -2.34 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2oi7 s THR 188 Cb -0.22 -2.38 0.44 0.00 1.34 0.00 0.00 72.50 71.69 2oi7 s THR 188 CO 0.28 -0.38 1.66 -0.46 -0.54 0.00 0.00 174.62 175.18 2oi7 n ASN 189 N -0.66 6.47 -3.86 3.99 6.94 -1.26 -4.60 115.26 122.28 2oi7 n ASN 189 Ca -0.05 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.31 2oi7 n ASN 189 Cb 0.60 -0.71 0.01 0.00 -2.36 0.00 0.00 39.78 37.31 2oi7 n ASN 189 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2oi7 n ASN 190 N -0.78 6.02 -2.51 0.53 3.02 -1.26 -4.22 115.26 116.06 2oi7 n ASN 190 Ca 0.54 -3.27 -0.12 0.00 -0.03 0.00 0.00 54.58 51.70 2oi7 n ASN 190 Cb 0.74 -1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 2oi7 n ASN 190 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2oi7 n ASN 191 N 2.44 -0.84 0.00 6.41 0.23 -1.26 -5.01 115.26 117.23 2oi7 n ASN 191 Ca 0.37 -2.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 2oi7 n ASN 191 Cb 0.33 1.65 0.00 0.00 -2.08 0.00 0.00 39.78 39.68 2oi7 n ASN 191 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oi7 n ALA 192 N -1.33 -0.15 -0.20 -2.53 0.00 -1.26 -1.43 120.51 113.61 2oi7 n ALA 192 Ca -0.09 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.63 2oi7 n ALA 192 Cb 0.43 0.23 0.71 0.00 0.00 0.00 0.00 19.45 20.82 2oi7 n ALA 192 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2oi7 h GLN 193 N 0.00 0.03 -2.12 0.00 1.08 -1.95 -3.45 115.11 108.70 2oi7 h GLN 193 Ca 0.00 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 2oi7 h GLN 193 Cb 0.00 -0.01 0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2oi7 h GLN 193 CO 0.00 0.02 -0.20 0.41 -0.95 0.00 0.00 178.83 178.11 2oi7 n GLY 194 N -1.70 0.41 3.28 3.46 0.00 -0.52 -5.04 105.19 105.07 2oi7 n GLY 194 Ca 0.19 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2oi7 n GLY 194 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oi7 n GLU 195 N -1.82 0.65 -3.37 1.61 1.02 -1.26 -4.94 120.64 112.52 2oi7 n GLU 195 Ca -0.02 -3.37 -0.43 0.00 -0.02 0.00 0.00 57.16 53.32 2oi7 n GLU 195 Cb 0.53 1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 33.46 2oi7 n GLU 195 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2oi7 s TYR 196 N -2.96 3.20 -0.17 -0.32 1.51 -0.12 -4.26 117.35 114.23 2oi7 s TYR 196 Ca 0.15 -0.63 -0.28 0.00 -1.01 0.00 0.00 57.07 55.30 2oi7 s TYR 196 Cb 0.01 -2.93 -0.00 0.00 -0.11 0.00 0.00 41.96 38.92 2oi7 s TYR 196 CO 0.11 -0.72 0.96 0.71 -1.11 0.00 0.00 175.55 175.50 2oi7 s TYR 197 N 1.88 3.42 -0.03 2.71 4.12 -1.26 0.80 117.35 128.97 2oi7 s TYR 197 Ca 0.08 1.44 0.30 0.00 0.02 0.00 0.00 57.07 58.90 2oi7 s TYR 197 Cb -0.20 -3.17 1.07 0.00 -1.52 0.00 0.00 41.96 38.14 2oi7 s TYR 197 CO 0.10 -0.33 1.88 0.97 0.02 0.00 0.00 175.55 178.19 2oi7 h ILE 198 N 5.27 0.05 0.00 2.71 6.09 -1.89 -2.71 117.51 127.03 2oi7 h ILE 198 Ca -0.26 -0.69 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 2oi7 h ILE 198 Cb 1.11 1.66 0.00 0.00 0.47 0.00 0.00 36.82 40.06 2oi7 h ILE 198 CO 0.90 0.02 0.00 0.00 -3.07 0.00 0.00 178.15 176.00 2oi7 h THR 199 N 0.00 0.00 0.00 2.19 1.03 -1.95 -2.88 112.91 111.29 2oi7 h THR 199 Ca -0.00 -0.32 -0.02 0.00 -0.01 0.00 0.00 66.41 66.07 2oi7 h THR 199 Cb 0.66 1.14 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 2oi7 h THR 199 CO 0.00 0.00 -0.08 0.44 -0.01 0.00 0.00 175.52 175.87 2oi7 h ASP 200 N 0.00 0.00 0.36 0.00 3.32 -1.80 -2.78 116.42 115.52 2oi7 h ASP 200 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2oi7 h ASP 200 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2oi7 h ASP 200 CO 0.00 0.08 -0.08 0.16 -1.72 0.00 0.00 179.24 177.68 2oi7 h ILE 201 N 0.00 0.41 -0.07 0.35 3.07 -1.73 -2.43 117.51 117.11 2oi7 h ILE 201 Ca -0.00 -0.41 -0.00 0.00 1.55 0.00 0.00 64.86 66.00 2oi7 h ILE 201 Cb 0.47 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2oi7 h ILE 201 CO 0.01 0.08 0.04 0.40 -1.05 0.00 0.00 178.15 177.63 2oi7 h ILE 202 N 0.00 1.05 -0.19 0.16 1.08 -1.72 0.11 117.51 118.01 2oi7 h ILE 202 Ca -0.00 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 2oi7 h ILE 202 Cb 0.28 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2oi7 h ILE 202 CO 0.01 0.04 0.02 0.00 -0.69 0.00 0.00 178.15 177.54 2oi7 h ALA 203 N 0.98 0.25 -0.93 1.87 0.00 -1.55 -2.14 119.26 117.74 2oi7 h ALA 203 Ca 0.03 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2oi7 h ALA 203 Cb 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2oi7 h ALA 203 CO -0.00 -0.07 0.60 -0.07 0.00 0.00 0.00 179.25 179.70 2oi7 h LEU 204 N 0.09 0.58 -0.20 0.00 3.38 -1.32 0.23 115.31 118.08 2oi7 h LEU 204 Ca 0.06 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 2oi7 h LEU 204 Cb 0.33 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2oi7 h LEU 204 CO 0.01 0.25 -0.88 0.00 0.09 0.00 0.00 178.44 177.90 2oi7 h ALA 205 N 1.61 0.37 -0.72 1.53 0.00 -0.76 -2.86 119.26 118.44 2oi7 h ALA 205 Ca 0.49 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2oi7 h ALA 205 Cb 0.96 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2oi7 h ALA 205 CO -0.23 0.76 0.19 -0.92 0.00 0.00 0.00 179.25 179.04 2oi7 h TYR 206 N 0.32 1.19 0.00 0.00 3.20 0.01 0.02 116.97 121.71 2oi7 h TYR 206 Ca -0.07 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2oi7 h TYR 206 Cb 1.50 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2oi7 h TYR 206 CO 0.07 0.96 0.00 0.00 -1.64 0.00 0.00 178.16 177.54 2oi7 n GLN 207 N -4.24 0.19 -0.02 1.82 10.64 0.20 -2.31 117.38 123.66 2oi7 n GLN 207 Ca 0.05 0.20 0.13 0.00 -1.83 0.00 0.00 57.00 55.55 2oi7 n GLN 207 Cb 0.25 -1.73 0.55 0.00 -0.86 0.00 0.00 30.24 28.44 2oi7 n GLN 207 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2oi7 n GLU 208 N -2.06 1.55 -0.22 2.61 1.02 -0.90 -4.89 120.64 117.74 2oi7 n GLU 208 Ca 0.05 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 2oi7 n GLU 208 Cb 0.38 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2oi7 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oi7 n GLY 209 N 1.12 1.27 3.79 0.62 0.00 -0.98 -5.05 105.19 105.96 2oi7 n GLY 209 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2oi7 n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi7 s ARG 210 N -0.46 3.14 -0.05 1.61 1.81 -0.06 -4.99 118.95 119.96 2oi7 s ARG 210 Ca 0.00 1.32 0.02 0.00 -1.72 0.00 0.00 55.73 55.35 2oi7 s ARG 210 Cb 0.00 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.47 2oi7 s ARG 210 CO 0.00 -0.97 -0.08 -1.83 -0.68 0.00 0.00 175.30 171.74 2oi7 s GLU 211 N -3.97 2.66 -0.16 3.54 -1.05 -1.26 -4.00 118.70 114.46 2oi7 s GLU 211 Ca 0.66 -0.61 -0.03 0.00 -0.15 0.00 0.00 54.97 54.84 2oi7 s GLU 211 Cb -0.19 -2.53 -0.02 0.00 -0.44 0.00 0.00 34.13 30.95 2oi7 s GLU 211 CO 0.37 0.64 -0.07 0.42 0.95 0.00 0.00 175.26 177.57 2oi7 s ILE 212 N -0.84 3.53 0.02 1.83 1.09 -1.26 -2.51 121.20 123.06 2oi7 s ILE 212 Ca 0.13 -0.48 0.03 0.00 -1.10 0.00 0.00 60.65 59.23 2oi7 s ILE 212 Cb -0.11 -2.54 -0.04 0.00 -1.06 0.00 0.00 42.46 38.72 2oi7 s ILE 212 CO 0.03 0.49 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.64 2oi7 s VAL 213 N 0.53 3.93 -0.08 2.92 1.01 -0.61 -4.12 120.40 123.98 2oi7 s VAL 213 Ca -0.05 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2oi7 s VAL 213 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2oi7 s VAL 213 CO 0.03 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 2oi7 s ALA 214 N -1.10 2.92 0.04 5.51 0.00 -1.26 -0.95 121.76 126.92 2oi7 s ALA 214 Ca 0.20 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2oi7 s ALA 214 Cb -0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2oi7 s ALA 214 CO 0.11 0.51 -0.19 0.08 0.00 0.00 0.00 175.76 176.27 2oi7 s VAL 215 N -0.60 1.55 0.12 0.00 1.01 0.44 -4.97 120.40 117.95 2oi7 s VAL 215 Ca 0.09 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2oi7 s VAL 215 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2oi7 s VAL 215 CO 0.02 0.18 -0.05 -1.00 0.00 0.00 0.00 175.10 174.25 2oi7 s HIS 216 N -0.79 2.84 0.75 5.22 0.09 -1.26 -0.59 115.29 121.55 2oi7 s HIS 216 Ca 0.06 -0.11 -0.12 0.00 -0.00 0.00 0.00 55.06 54.90 2oi7 s HIS 216 Cb -0.09 -1.45 0.04 0.00 -0.00 0.00 0.00 32.58 31.08 2oi7 s HIS 216 CO 0.02 0.46 1.12 -1.25 -0.00 0.00 0.00 174.74 175.09 2oi7 s PRO 217 N -2.40 2.51 0.03 8.40 0.04 -1.26 -4.98 135.00 137.33 2oi7 s PRO 217 Ca 0.24 0.37 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2oi7 s PRO 217 Cb -0.11 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.26 2oi7 s PRO 217 CO 0.16 -1.26 1.44 0.37 0.04 0.00 0.00 177.00 177.75 2oi7 h GLN 218 N -0.82 -0.11 -5.11 4.56 5.75 -1.99 -3.46 115.11 113.94 2oi7 h GLN 218 Ca -0.45 0.01 -0.36 0.00 -0.15 0.00 0.00 58.65 57.70 2oi7 h GLN 218 Cb 1.28 0.02 -0.19 0.00 1.07 0.00 0.00 27.48 29.66 2oi7 h GLN 218 CO 0.64 0.17 -0.75 1.03 -2.65 0.00 0.00 178.83 177.27 2oi7 s ARG 219 N -5.07 0.84 0.13 1.69 0.52 -1.26 -5.05 118.95 110.75 2oi7 s ARG 219 Ca -0.15 -1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 53.80 2oi7 s ARG 219 Cb 0.03 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 2oi7 s ARG 219 CO 0.64 0.12 1.79 -0.07 0.02 0.00 0.00 175.30 177.81 2oi7 h LEU 220 N 3.85 0.32 -1.84 2.53 3.38 -2.01 -2.22 115.31 119.31 2oi7 h LEU 220 Ca -0.39 -0.01 0.29 0.00 0.09 0.00 0.00 57.88 57.87 2oi7 h LEU 220 Cb 1.19 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2oi7 h LEU 220 CO 0.48 0.23 0.84 0.77 0.09 0.00 0.00 178.44 180.85 2oi7 h SER 221 N 0.38 0.00 -0.72 -0.43 4.64 -1.97 -1.49 113.55 113.95 2oi7 h SER 221 Ca 0.10 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.53 2oi7 h SER 221 Cb -0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.97 2oi7 h SER 221 CO -0.02 0.00 0.33 -0.33 -0.87 0.00 0.00 176.83 175.94 2oi7 h GLU 222 N 0.00 0.52 -0.44 4.77 5.08 -1.64 -2.88 114.58 119.98 2oi7 h GLU 222 Ca 0.48 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2oi7 h GLU 222 Cb 2.15 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 31.22 2oi7 h GLU 222 CO -0.01 0.34 0.07 1.33 -1.00 0.00 0.00 179.01 179.75 2oi7 n VAL 223 N -4.92 2.57 -2.81 3.13 0.24 -0.56 -1.49 118.33 114.49 2oi7 n VAL 223 Ca 0.12 -1.98 -0.41 0.00 -2.04 0.00 0.00 64.34 60.04 2oi7 n VAL 223 Cb 0.33 -0.30 -0.05 0.00 -1.47 0.00 0.00 33.84 32.35 2oi7 n VAL 223 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2oi7 s GLU 224 N -2.98 4.64 0.15 7.34 2.02 -1.09 -5.02 118.70 123.76 2oi7 s GLU 224 Ca 0.47 1.33 0.01 0.00 0.02 0.00 0.00 54.97 56.81 2oi7 s GLU 224 Cb 0.39 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 2oi7 s GLU 224 CO 0.09 0.24 0.30 0.20 0.02 0.00 0.00 175.26 176.11 2oi7 s GLY 225 N -0.02 1.78 -0.24 -1.39 0.00 -1.26 -4.37 107.32 101.82 2oi7 s GLY 225 Ca 0.44 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 2oi7 s GLY 225 CO 0.28 -0.94 -0.04 0.14 0.00 0.00 0.00 173.10 172.53 2oi7 s VAL 226 N -1.75 3.18 -0.02 1.40 1.01 -0.43 -4.95 120.40 118.85 2oi7 s VAL 226 Ca 0.36 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.66 2oi7 s VAL 226 Cb -0.11 -2.54 -0.12 0.00 0.00 0.00 0.00 36.38 33.62 2oi7 s VAL 226 CO 0.29 0.29 0.15 0.59 0.00 0.00 0.00 175.10 176.42 2oi7 n ASN 227 N 4.75 3.21 -3.96 3.32 3.02 -1.26 -4.91 115.26 119.43 2oi7 n ASN 227 Ca -0.17 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.23 2oi7 n ASN 227 Cb 0.49 1.24 -0.09 0.00 -0.61 0.00 0.00 39.78 40.80 2oi7 n ASN 227 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2oi7 s ASN 228 N -3.07 0.84 0.36 6.41 2.20 -1.26 -3.87 114.94 116.53 2oi7 s ASN 228 Ca -0.03 -1.51 0.13 0.00 -0.94 0.00 0.00 52.86 50.51 2oi7 s ASN 228 Cb 0.05 0.41 0.67 0.00 -2.00 0.00 0.00 41.25 40.37 2oi7 s ASN 228 CO 0.32 -0.90 1.78 0.03 -2.94 0.00 0.00 177.10 175.40 2oi7 h ARG 229 N 2.41 0.00 -0.46 3.55 3.08 -1.89 -2.85 114.38 118.23 2oi7 h ARG 229 Ca -0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 2oi7 h ARG 229 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2oi7 h ARG 229 CO 0.49 0.42 -0.05 1.25 -1.07 0.00 0.00 179.97 181.01 2oi7 h LEU 230 N 0.00 0.76 -0.49 3.04 5.85 -1.97 -1.22 115.31 121.28 2oi7 h LEU 230 Ca -0.00 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.35 2oi7 h LEU 230 Cb 0.75 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2oi7 h LEU 230 CO 0.05 0.85 -0.69 1.56 -0.34 0.00 0.00 178.44 179.88 2oi7 h GLN 231 N 0.72 0.32 -0.57 1.25 4.20 -1.92 -2.34 115.11 116.77 2oi7 h GLN 231 Ca 0.13 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2oi7 h GLN 231 Cb 0.50 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2oi7 h GLN 231 CO 0.03 0.89 0.29 1.25 -0.67 0.00 0.00 178.83 180.62 2oi7 h LEU 232 N 0.23 0.74 -1.04 1.46 5.85 -1.20 -2.40 115.31 118.94 2oi7 h LEU 232 Ca -0.02 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2oi7 h LEU 232 Cb 1.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2oi7 h LEU 232 CO 0.11 0.64 0.19 0.77 -0.34 0.00 0.00 178.44 179.81 2oi7 h SER 233 N 0.77 0.81 -0.40 1.25 4.64 -1.15 0.65 113.55 120.12 2oi7 h SER 233 Ca 0.20 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2oi7 h SER 233 Cb 0.09 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2oi7 h SER 233 CO -0.03 0.76 0.16 0.03 -0.87 0.00 0.00 176.83 176.88 2oi7 h ARG 234 N 0.85 0.60 0.00 4.77 3.08 -1.08 -2.34 114.38 120.25 2oi7 h ARG 234 Ca 0.19 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2oi7 h ARG 234 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2oi7 h ARG 234 CO -0.01 0.56 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.08 2oi7 h LEU 235 N 0.50 0.00 -0.68 3.04 3.38 -0.93 -2.54 115.31 118.07 2oi7 h LEU 235 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2oi7 h LEU 235 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2oi7 h LEU 235 CO -0.01 0.30 0.40 -0.08 0.09 0.00 0.00 178.44 179.14 2oi7 h GLU 236 N 0.00 0.92 -0.50 1.13 4.57 -0.37 -0.90 114.58 119.44 2oi7 h GLU 236 Ca -0.00 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 57.96 2oi7 h GLU 236 Cb 0.80 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2oi7 h GLU 236 CO 0.04 0.66 -0.19 0.00 -1.18 0.00 0.00 179.01 178.35 2oi7 h ARG 237 N 0.92 1.00 -0.09 1.92 2.47 -1.08 -0.86 114.38 118.66 2oi7 h ARG 237 Ca 0.24 -0.41 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2oi7 h ARG 237 Cb -0.02 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2oi7 h ARG 237 CO -0.04 1.09 0.04 0.28 0.56 0.00 0.00 179.97 181.90 2oi7 h VAL 238 N 0.87 1.11 -0.08 2.04 2.07 -1.20 0.18 116.25 121.24 2oi7 h VAL 238 Ca 0.12 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2oi7 h VAL 238 Cb 0.76 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2oi7 h VAL 238 CO 0.06 0.09 -0.03 0.22 0.02 0.00 0.00 177.57 177.94 2oi7 h TYR 239 N 0.03 -0.07 -0.61 1.57 3.20 -1.03 -0.55 116.97 119.52 2oi7 h TYR 239 Ca 0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2oi7 h TYR 239 Cb 0.11 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2oi7 h TYR 239 CO -0.03 -0.05 0.37 1.96 -1.64 0.00 0.00 178.16 178.77 2oi7 h GLN 240 N -0.01 0.82 -0.75 1.82 1.08 -1.04 -0.58 115.11 116.44 2oi7 h GLN 240 Ca 0.04 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2oi7 h GLN 240 Cb 0.08 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 2oi7 h GLN 240 CO -0.10 0.58 0.43 0.77 -0.95 0.00 0.00 178.83 179.56 2oi7 h SER 241 N 0.82 0.93 -0.49 1.46 0.02 -0.28 0.61 113.55 116.62 2oi7 h SER 241 Ca 0.22 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2oi7 h SER 241 Cb -0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2oi7 h SER 241 CO -0.04 0.75 0.01 -0.33 -1.14 0.00 0.00 176.83 176.07 2oi7 h GLU 242 N 1.04 0.86 0.13 3.45 5.08 -0.77 -1.39 114.58 122.97 2oi7 h GLU 242 Ca 0.27 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2oi7 h GLU 242 Cb 0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2oi7 h GLU 242 CO -0.05 0.90 -0.06 1.96 -1.00 0.00 0.00 179.01 180.76 2oi7 h GLN 243 N 0.72 -0.17 -0.38 2.33 1.08 -0.75 -1.21 115.11 116.73 2oi7 h GLN 243 Ca 0.14 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.40 2oi7 h GLN 243 Cb 0.50 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 2oi7 h GLN 243 CO 0.02 -0.05 0.12 0.00 -0.95 0.00 0.00 178.83 177.97 2oi7 h ALA 244 N 0.61 0.43 -0.79 3.87 0.00 -0.86 -1.69 119.26 120.83 2oi7 h ALA 244 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2oi7 h ALA 244 Cb 0.20 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2oi7 h ALA 244 CO 0.03 -0.28 0.47 1.49 0.00 0.00 0.00 179.25 180.96 2oi7 h GLU 245 N 0.26 0.82 -0.63 0.00 4.81 -1.09 -0.29 114.58 118.46 2oi7 h GLU 245 Ca 0.18 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2oi7 h GLU 245 Cb 0.17 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2oi7 h GLU 245 CO -0.19 0.54 0.18 0.87 -0.73 0.00 0.00 179.01 179.68 2oi7 h LYS 246 N 0.84 0.96 -0.41 1.92 1.57 -0.34 -2.17 116.57 118.94 2oi7 h LYS 246 Ca 0.36 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 2oi7 h LYS 246 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2oi7 h LYS 246 CO -0.19 0.84 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.22 2oi7 h LEU 247 N 0.93 0.92 -0.06 2.94 3.38 -0.65 0.04 115.31 122.81 2oi7 h LEU 247 Ca 0.21 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2oi7 h LEU 247 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2oi7 h LEU 247 CO -0.01 1.13 0.03 -0.07 0.09 0.00 0.00 178.44 179.62 2oi7 h LEU 248 N 0.70 0.08 -0.59 1.67 3.38 -0.91 0.55 115.31 120.19 2oi7 h LEU 248 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2oi7 h LEU 248 Cb 0.80 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2oi7 h LEU 248 CO 0.07 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.94 2oi7 n LEU 249 N -4.99 0.58 -0.46 1.67 4.77 -0.83 -1.75 117.00 115.99 2oi7 n LEU 249 Ca -0.06 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 2oi7 n LEU 249 Cb 0.08 -0.56 0.34 0.00 -2.33 0.00 0.00 43.42 40.96 2oi7 n LEU 249 CO 0.34 -0.51 0.68 0.00 -1.33 0.00 0.00 177.39 176.57 2oi7 n ALA 250 N -1.74 2.87 0.00 -1.18 0.00 -0.01 -4.93 120.51 115.52 2oi7 n ALA 250 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2oi7 n ALA 250 Cb 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2oi7 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi7 n GLY 251 N 1.29 0.83 3.64 0.00 0.00 -0.72 -5.03 105.19 105.20 2oi7 n GLY 251 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2oi7 n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oi7 s VAL 252 N -2.00 5.14 -0.24 1.61 1.01 0.10 -4.07 120.40 121.95 2oi7 s VAL 252 Ca 0.00 0.77 -0.26 0.00 0.00 0.00 0.00 61.98 62.49 2oi7 s VAL 252 Cb 0.00 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2oi7 s VAL 252 CO 0.00 0.17 0.88 -0.32 0.00 0.00 0.00 175.10 175.83 2oi7 s MET 253 N 1.81 4.20 -0.22 2.72 1.75 -0.50 -3.58 119.30 125.48 2oi7 s MET 253 Ca 0.20 1.04 -0.02 0.00 -1.25 0.00 0.00 55.69 55.66 2oi7 s MET 253 Cb -0.15 -3.64 0.01 0.00 2.84 0.00 0.00 34.83 33.89 2oi7 s MET 253 CO 0.09 -0.54 -0.08 -0.51 -0.65 0.00 0.00 175.02 173.33 2oi7 s LEU 254 N 2.90 2.85 0.26 4.11 1.43 -1.26 -1.07 118.68 127.91 2oi7 s LEU 254 Ca 0.37 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2oi7 s LEU 254 Cb -0.15 -1.66 0.55 0.00 0.03 0.00 0.00 46.19 44.96 2oi7 s LEU 254 CO 0.07 -0.06 1.71 0.03 0.23 0.00 0.00 176.35 178.33 2oi7 h ARG 255 N 8.04 0.38 -2.09 1.70 -0.00 -1.44 -3.37 114.38 117.61 2oi7 h ARG 255 Ca -0.39 -0.02 -0.28 0.00 -0.50 0.00 0.00 59.98 58.78 2oi7 h ARG 255 Cb 1.14 -0.09 -0.32 0.00 0.00 0.00 0.00 29.97 30.70 2oi7 h ARG 255 CO 0.60 0.25 -0.60 0.34 0.00 0.00 0.00 179.97 180.56 2oi7 s ASP 256 N -5.27 1.27 0.48 7.04 2.15 -1.26 -4.93 116.67 116.15 2oi7 s ASP 256 Ca -0.12 -0.53 0.19 0.00 0.43 0.00 0.00 52.55 52.53 2oi7 s ASP 256 Cb 0.22 0.66 1.21 0.00 -0.30 0.00 0.00 42.92 44.71 2oi7 s ASP 256 CO 0.77 -0.37 1.98 -0.65 -0.17 0.00 0.00 175.17 176.73 2oi7 h PRO 257 N 8.24 0.20 0.00 4.34 0.11 -1.97 0.25 132.00 143.18 2oi7 h PRO 257 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2oi7 h PRO 257 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2oi7 h PRO 257 CO 0.31 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 2oi7 h ALA 258 N 1.72 1.00 -1.93 -0.75 0.00 -1.96 -3.10 119.26 114.23 2oi7 h ALA 258 Ca 0.27 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.57 2oi7 h ALA 258 Cb 0.80 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.18 2oi7 h ALA 258 CO -0.05 0.00 -0.52 0.54 0.00 0.00 0.00 179.25 179.22 2oi7 n ARG 259 N -3.00 3.42 -3.75 0.00 1.74 0.89 -4.99 116.66 110.97 2oi7 n ARG 259 Ca 0.00 -4.69 -0.12 0.00 -0.77 0.00 0.00 57.85 52.27 2oi7 n ARG 259 Cb 0.26 -2.26 -0.12 0.00 -1.02 0.00 0.00 32.46 29.33 2oi7 n ARG 259 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2oi7 s PHE 260 N -3.57 -0.36 -0.05 -1.55 5.36 -1.18 -0.14 117.98 116.50 2oi7 s PHE 260 Ca 0.48 0.86 0.01 0.00 -0.96 0.00 0.00 56.93 57.32 2oi7 s PHE 260 Cb 0.32 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 43.14 2oi7 s PHE 260 CO -0.17 -0.20 -0.04 -0.51 -1.46 0.00 0.00 175.22 172.85 2oi7 s ASP 261 N 0.57 0.98 -0.25 6.13 1.11 -0.91 -4.94 116.67 119.36 2oi7 s ASP 261 Ca -0.03 -0.12 -0.01 0.00 0.18 0.00 0.00 52.55 52.56 2oi7 s ASP 261 Cb -0.05 -0.45 0.03 0.00 1.07 0.00 0.00 42.92 43.53 2oi7 s ASP 261 CO -0.03 -0.06 -0.07 -0.22 1.18 0.00 0.00 175.17 175.96 2oi7 s LEU 262 N 0.98 3.20 -0.61 1.23 2.96 -1.26 -1.29 118.68 123.88 2oi7 s LEU 262 Ca -0.10 -0.95 0.06 0.00 -0.22 0.00 0.00 54.13 52.91 2oi7 s LEU 262 Cb -0.14 -1.64 0.27 0.00 0.50 0.00 0.00 46.19 45.18 2oi7 s LEU 262 CO -0.00 -0.14 0.78 0.54 -1.32 0.00 0.00 176.35 176.21 2oi7 n ARG 263 N 4.63 2.56 0.00 1.98 1.74 0.13 -4.82 116.66 122.88 2oi7 n ARG 263 Ca -0.16 -4.63 0.00 0.00 -0.77 0.00 0.00 57.85 52.29 2oi7 n ARG 263 Cb 0.46 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2oi7 n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oi7 n GLY 264 N 0.65 -0.33 3.15 -0.13 0.00 -1.26 -1.89 105.19 105.38 2oi7 n GLY 264 Ca 0.30 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2oi7 n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s THR 265 N -1.31 1.24 -0.20 2.61 2.01 -0.01 -4.94 115.64 115.03 2oi7 s THR 265 Ca 0.00 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2oi7 s THR 265 Cb 0.00 -1.06 0.06 0.00 0.01 0.00 0.00 72.50 71.51 2oi7 s THR 265 CO 0.00 0.25 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 2oi7 s LEU 266 N -0.62 1.75 0.14 4.42 2.96 -1.26 -1.55 118.68 124.52 2oi7 s LEU 266 Ca 0.05 -0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 2oi7 s LEU 266 Cb -0.07 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.70 2oi7 s LEU 266 CO 0.00 -0.26 0.49 -0.89 -1.32 0.00 0.00 176.35 174.37 2oi7 s THR 267 N 1.65 4.97 0.19 3.68 2.01 0.17 -5.01 115.64 123.30 2oi7 s THR 267 Ca -0.02 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 2oi7 s THR 267 Cb -0.17 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2oi7 s THR 267 CO -0.07 0.19 0.42 -1.38 -0.69 0.00 0.00 174.62 173.09 2oi7 s HIS 268 N -1.52 0.12 0.00 4.92 -3.43 -1.26 -0.99 115.29 113.14 2oi7 s HIS 268 Ca 0.38 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 2oi7 s HIS 268 Cb -0.14 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 2oi7 s HIS 268 CO 0.19 -0.84 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 2oi7 n GLY 269 N -0.29 3.20 3.91 -1.38 0.00 -0.02 -4.93 105.19 105.68 2oi7 n GLY 269 Ca -0.08 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 2oi7 n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi7 s ARG 270 N 2.91 3.62 -1.56 1.61 0.52 -1.26 -4.44 118.95 120.35 2oi7 s ARG 270 Ca 0.00 -0.01 -0.13 0.00 -0.52 0.00 0.00 55.73 55.07 2oi7 s ARG 270 Cb 0.00 -2.64 0.10 0.00 0.52 0.00 0.00 34.95 32.92 2oi7 s ARG 270 CO 0.00 0.20 0.84 -0.25 0.02 0.00 0.00 175.30 176.11 2oi7 n ASP 271 N -1.01 -3.57 -4.74 0.23 8.00 -1.26 -0.25 116.55 113.96 2oi7 n ASP 271 Ca -0.02 -0.88 -0.41 0.00 0.71 0.00 0.00 54.79 54.19 2oi7 n ASP 271 Cb 0.54 -3.43 -0.05 0.00 -0.02 0.00 0.00 41.12 38.16 2oi7 n ASP 271 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi7 s VAL 272 N -3.39 4.60 -0.16 2.53 1.01 -1.26 -3.77 120.40 119.96 2oi7 s VAL 272 Ca 0.57 1.88 0.02 0.00 0.00 0.00 0.00 61.98 64.45 2oi7 s VAL 272 Cb -0.30 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.86 2oi7 s VAL 272 CO 0.87 0.34 -0.21 -0.70 0.00 0.00 0.00 175.10 175.40 2oi7 s GLU 273 N -0.02 2.96 -0.15 2.72 2.12 0.00 -1.42 118.70 124.91 2oi7 s GLU 273 Ca 0.43 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2oi7 s GLU 273 Cb -0.22 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.71 2oi7 s GLU 273 CO 0.27 -0.12 -0.20 0.42 -0.54 0.00 0.00 175.26 175.09 2oi7 s ILE 274 N 1.08 1.97 0.96 -3.70 1.01 -0.23 -0.63 121.20 121.66 2oi7 s ILE 274 Ca -0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2oi7 s ILE 274 Cb -0.14 -1.76 0.20 0.00 0.01 0.00 0.00 42.46 40.77 2oi7 s ILE 274 CO -0.08 0.53 1.31 -0.62 0.00 0.00 0.00 174.94 176.08 2oi7 s ASP 275 N 1.05 3.11 0.71 3.58 -1.08 -0.28 -1.20 116.67 122.57 2oi7 s ASP 275 Ca -0.02 0.20 -0.16 0.00 -0.52 0.00 0.00 52.55 52.05 2oi7 s ASP 275 Cb -0.14 -0.23 0.03 0.00 -1.46 0.00 0.00 42.92 41.11 2oi7 s ASP 275 CO -0.06 -2.73 1.26 0.42 0.52 0.00 0.00 175.17 174.58 2oi7 s THR 276 N -3.86 2.02 -1.28 1.71 -4.23 -1.26 -4.01 115.64 104.72 2oi7 s THR 276 Ca 0.74 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 2oi7 s THR 276 Cb -0.03 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.05 2oi7 s THR 276 CO 0.53 -0.00 1.00 0.59 -0.54 0.00 0.00 174.62 176.20 2oi7 n ASN 277 N -2.48 -3.20 -4.61 3.99 3.02 0.80 -1.11 115.26 111.67 2oi7 n ASN 277 Ca 0.15 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.73 2oi7 n ASN 277 Cb 0.49 -4.88 -0.11 0.00 -0.61 0.00 0.00 39.78 34.68 2oi7 n ASN 277 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi7 s VAL 278 N -3.39 3.79 -0.12 2.41 1.01 -1.24 -1.85 120.40 121.01 2oi7 s VAL 278 Ca 0.19 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2oi7 s VAL 278 Cb -0.09 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2oi7 s VAL 278 CO 0.75 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 175.58 2oi7 s ILE 279 N -0.89 1.66 -0.21 2.22 1.01 -0.05 -2.15 121.20 122.78 2oi7 s ILE 279 Ca 0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2oi7 s ILE 279 Cb -0.11 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2oi7 s ILE 279 CO 0.04 0.47 0.03 -0.63 0.00 0.00 0.00 174.94 174.85 2oi7 s ILE 280 N 1.04 4.13 0.05 2.92 1.09 -0.41 -1.30 121.20 128.72 2oi7 s ILE 280 Ca -0.04 -0.24 0.08 0.00 -1.10 0.00 0.00 60.65 59.34 2oi7 s ILE 280 Cb -0.15 -2.89 -0.03 0.00 -1.06 0.00 0.00 42.46 38.34 2oi7 s ILE 280 CO -0.03 0.40 -0.23 -1.61 -0.10 0.00 0.00 174.94 173.36 2oi7 s GLU 281 N 1.15 1.55 4.02 2.79 2.02 0.54 0.19 118.70 130.96 2oi7 s GLU 281 Ca 0.03 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2oi7 s GLU 281 Cb -0.14 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.37 2oi7 s GLU 281 CO 0.02 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.15 2oi7 n GLY 282 N 1.74 0.83 3.55 -1.39 0.00 -0.79 -1.18 105.19 107.95 2oi7 n GLY 282 Ca -0.17 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 2oi7 n GLY 282 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oi7 s ASN 283 N -4.00 6.22 -0.08 1.61 0.01 -1.26 -0.83 114.94 116.61 2oi7 s ASN 283 Ca 0.00 -0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.06 2oi7 s ASN 283 Cb 0.00 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.44 2oi7 s ASN 283 CO 0.00 -0.36 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.29 2oi7 s VAL 284 N 2.11 2.09 -0.18 1.60 1.01 -0.60 -2.56 120.40 123.88 2oi7 s VAL 284 Ca 0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2oi7 s VAL 284 Cb -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2oi7 s VAL 284 CO 0.12 0.57 -0.12 -0.89 0.00 0.00 0.00 175.10 174.77 2oi7 s THR 285 N 0.04 2.79 -0.19 3.92 2.01 -0.77 -0.66 115.64 122.79 2oi7 s THR 285 Ca -0.10 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2oi7 s THR 285 Cb -0.15 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2oi7 s THR 285 CO 0.06 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.58 2oi7 s LEU 286 N 1.14 2.44 0.00 4.42 1.43 -0.16 -0.51 118.68 127.45 2oi7 s LEU 286 Ca 0.01 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2oi7 s LEU 286 Cb -0.14 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2oi7 s LEU 286 CO -0.04 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2oi7 n GLY 287 N 4.62 -2.37 3.78 -3.19 0.00 0.54 -0.84 105.19 107.74 2oi7 n GLY 287 Ca -0.20 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 2oi7 n GLY 287 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oi7 s HIS 288 N -0.80 3.05 -1.41 1.61 0.09 -1.26 -3.45 115.29 113.13 2oi7 s HIS 288 Ca 0.00 1.59 -0.11 0.00 -0.00 0.00 0.00 55.06 56.54 2oi7 s HIS 288 Cb 0.00 -3.18 0.08 0.00 -0.00 0.00 0.00 32.58 29.48 2oi7 s HIS 288 CO 0.00 -0.96 0.64 0.54 -0.00 0.00 0.00 174.74 174.96 2oi7 n ARG 289 N -0.53 -3.96 -2.83 1.40 1.74 0.65 -0.49 116.66 112.64 2oi7 n ARG 289 Ca 0.07 0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 57.28 2oi7 n ARG 289 Cb 0.50 -5.30 -0.04 0.00 -1.02 0.00 0.00 32.46 26.60 2oi7 n ARG 289 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2oi7 s VAL 290 N -3.07 4.83 -0.17 1.55 1.01 -1.25 -3.93 120.40 119.38 2oi7 s VAL 290 Ca 0.48 1.86 -0.04 0.00 0.00 0.00 0.00 61.98 64.28 2oi7 s VAL 290 Cb -0.25 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2oi7 s VAL 290 CO 0.59 0.24 -0.03 -0.54 0.00 0.00 0.00 175.10 175.36 2oi7 s LYS 291 N 0.64 3.64 -0.20 2.72 1.02 0.03 -0.82 119.74 126.77 2oi7 s LYS 291 Ca 0.46 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.93 2oi7 s LYS 291 Cb -0.21 -2.94 0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2oi7 s LYS 291 CO 0.25 0.18 -0.14 0.42 -0.92 0.00 0.00 175.35 175.14 2oi7 s ILE 292 N 0.53 1.90 1.12 2.17 1.01 0.20 0.22 121.20 128.34 2oi7 s ILE 292 Ca -0.03 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 2oi7 s ILE 292 Cb -0.14 -1.87 0.25 0.00 0.01 0.00 0.00 42.46 40.71 2oi7 s ILE 292 CO 0.03 0.29 1.11 -0.83 0.00 0.00 0.00 174.94 175.53 2oi7 s GLY 293 N 1.30 1.58 0.51 6.18 0.00 0.27 -1.13 107.32 116.03 2oi7 s GLY 293 Ca -0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.77 2oi7 s GLY 293 CO -0.09 0.05 1.29 -1.08 0.00 0.00 0.00 173.10 173.27 2oi7 s THR 294 N -3.01 2.44 -0.87 0.90 -1.32 -1.26 -3.44 115.64 109.09 2oi7 s THR 294 Ca 0.69 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.50 2oi7 s THR 294 Cb -0.13 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 2oi7 s THR 294 CO 0.57 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 2oi7 n GLY 295 N 0.62 0.99 3.85 6.08 0.00 -0.26 -1.27 105.19 115.20 2oi7 n GLY 295 Ca 0.09 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2oi7 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s VAL 297 N -2.29 1.18 -0.14 0.00 1.01 -0.62 -0.87 120.40 118.67 2oi7 s VAL 297 Ca 0.56 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2oi7 s VAL 297 Cb -0.10 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2oi7 s VAL 297 CO 0.24 0.19 -0.19 -0.63 0.00 0.00 0.00 175.10 174.71 2oi7 s ILE 298 N 1.61 1.87 -0.06 2.22 1.01 -0.42 -0.36 121.20 127.07 2oi7 s ILE 298 Ca 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2oi7 s ILE 298 Cb -0.15 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.66 2oi7 s ILE 298 CO -0.08 0.51 -0.09 -0.75 0.00 0.00 0.00 174.94 174.53 2oi7 s LYS 299 N 0.99 1.36 -1.21 2.79 2.20 0.23 -0.34 119.74 125.77 2oi7 s LYS 299 Ca -0.04 -0.29 -0.34 0.00 -0.36 0.00 0.00 55.97 54.94 2oi7 s LYS 299 Cb -0.15 -1.20 0.04 0.00 -1.51 0.00 0.00 37.83 35.02 2oi7 s LYS 299 CO -0.04 -0.03 0.69 0.09 -0.36 0.00 0.00 175.35 175.70 2oi7 n ASN 300 N 3.96 -4.23 -4.19 1.43 5.03 -0.32 -1.14 115.26 115.80 2oi7 n ASN 300 Ca -0.23 -1.29 -0.11 0.00 0.87 0.00 0.00 54.58 53.82 2oi7 n ASN 300 Cb 0.51 -1.76 -0.10 0.00 -1.02 0.00 0.00 39.78 37.41 2oi7 n ASN 300 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2oi7 s SER 301 N -3.52 0.98 -0.13 6.41 0.01 -1.06 -1.74 113.70 114.66 2oi7 s SER 301 Ca 0.49 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2oi7 s SER 301 Cb -0.27 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2oi7 s SER 301 CO 0.97 -0.56 -0.21 -0.69 0.41 0.00 0.00 173.24 173.16 2oi7 s VAL 302 N -3.73 2.27 -0.16 3.43 1.01 -0.68 -1.84 120.40 120.69 2oi7 s VAL 302 Ca 0.19 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2oi7 s VAL 302 Cb 0.06 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.56 2oi7 s VAL 302 CO -0.00 0.54 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 2oi7 s ILE 303 N 0.58 1.60 1.18 2.22 1.01 0.33 -0.69 121.20 127.44 2oi7 s ILE 303 Ca -0.12 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 2oi7 s ILE 303 Cb -0.16 -1.54 0.29 0.00 0.01 0.00 0.00 42.46 41.06 2oi7 s ILE 303 CO 0.03 0.40 1.07 0.61 0.00 0.00 0.00 174.94 177.06 2oi7 n GLY 304 N 4.75 -2.69 3.65 6.18 0.00 0.29 -0.34 105.19 117.03 2oi7 n GLY 304 Ca -0.17 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2oi7 n GLY 304 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oi7 n ASP 305 N -4.76 0.92 -2.08 1.61 8.00 -1.26 -3.37 116.55 115.60 2oi7 n ASP 305 Ca 0.15 0.72 -0.08 0.00 0.71 0.00 0.00 54.79 56.29 2oi7 n ASP 305 Cb 0.57 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.21 2oi7 n ASP 305 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2oi7 n ASP 306 N -1.69 -2.67 -4.81 -2.24 9.92 0.36 -0.64 116.55 114.78 2oi7 n ASP 306 Ca 0.14 0.27 -0.34 0.00 -0.53 0.00 0.00 54.79 54.33 2oi7 n ASP 306 Cb 0.49 -2.42 -0.05 0.00 -0.64 0.00 0.00 41.12 38.50 2oi7 n ASP 306 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2oi7 s GLU 308 N -3.20 1.45 -0.41 0.00 2.02 0.10 -0.79 118.70 117.88 2oi7 s GLU 308 Ca 0.65 -0.83 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 2oi7 s GLU 308 Cb -0.13 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.70 2oi7 s GLU 308 CO 0.16 -0.58 0.30 0.42 0.02 0.00 0.00 175.26 175.58 2oi7 s ILE 309 N 1.50 5.17 0.83 -1.63 -1.09 0.13 -2.42 121.20 123.70 2oi7 s ILE 309 Ca -0.04 -0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 2oi7 s ILE 309 Cb -0.18 -3.90 0.09 0.00 -1.58 0.00 0.00 42.46 36.89 2oi7 s ILE 309 CO -0.07 -0.33 1.09 -0.44 -1.23 0.00 0.00 174.94 173.96 2oi7 s SER 310 N 1.75 4.07 0.49 3.58 0.01 -0.13 0.98 113.70 124.44 2oi7 s SER 310 Ca 0.05 1.59 -0.20 0.00 1.31 0.00 0.00 55.95 58.70 2oi7 s SER 310 Cb -0.20 -2.30 -0.12 0.00 0.21 0.00 0.00 66.02 63.62 2oi7 s SER 310 CO 0.09 -2.28 0.34 -2.65 0.41 0.00 0.00 173.24 169.16 2oi7 n PRO 311 N -3.66 0.36 -3.70 12.44 -0.02 -1.26 -3.91 135.00 135.24 2oi7 n PRO 311 Ca 0.08 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 2oi7 n PRO 311 Cb 0.54 -1.41 0.02 0.00 -0.02 0.00 0.00 33.50 32.64 2oi7 n PRO 311 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oi7 n TYR 312 N -1.30 -1.97 -4.84 6.00 4.02 -0.39 -2.48 117.16 116.19 2oi7 n TYR 312 Ca 0.11 0.55 -0.27 0.00 -0.01 0.00 0.00 57.90 58.28 2oi7 n TYR 312 Cb 0.44 -3.24 -0.16 0.00 -0.02 0.00 0.00 39.34 36.35 2oi7 n TYR 312 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2oi7 s THR 313 N -3.31 1.47 -0.20 -0.72 2.01 -1.25 -1.57 115.64 112.07 2oi7 s THR 313 Ca 0.31 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 2oi7 s THR 313 Cb -0.13 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2oi7 s THR 313 CO 0.88 0.42 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.52 2oi7 s VAL 314 N 0.24 3.80 -0.04 3.82 1.01 -0.44 -1.60 120.40 127.19 2oi7 s VAL 314 Ca -0.09 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2oi7 s VAL 314 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2oi7 s VAL 314 CO 0.04 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 2oi7 s VAL 315 N 0.99 1.18 -0.07 2.92 1.01 0.52 -0.31 120.40 126.65 2oi7 s VAL 315 Ca 0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2oi7 s VAL 315 Cb -0.14 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.24 2oi7 s VAL 315 CO 0.01 0.35 0.15 -0.70 0.00 0.00 0.00 175.10 174.91 2oi7 s GLU 316 N 0.25 0.09 -1.51 2.72 2.12 -0.54 -0.60 118.70 121.22 2oi7 s GLU 316 Ca -0.07 0.39 -0.07 0.00 0.36 0.00 0.00 54.97 55.59 2oi7 s GLU 316 Cb -0.12 -0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.14 2oi7 s GLU 316 CO 0.02 -0.18 0.58 -0.25 -0.54 0.00 0.00 175.26 174.89 2oi7 n ASP 317 N 4.33 -1.63 -4.69 -1.70 8.00 -0.29 -2.64 116.55 117.93 2oi7 n ASP 317 Ca -0.24 -0.99 -0.23 0.00 0.71 0.00 0.00 54.79 54.03 2oi7 n ASP 317 Cb 0.51 -3.01 -0.07 0.00 -0.02 0.00 0.00 41.12 38.53 2oi7 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi7 s ALA 318 N -3.69 3.38 -0.17 2.24 0.00 -1.24 -2.12 121.76 120.15 2oi7 s ALA 318 Ca 0.30 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 2oi7 s ALA 318 Cb -0.16 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2oi7 s ALA 318 CO 0.90 0.07 0.06 1.21 0.00 0.00 0.00 175.76 178.00 2oi7 s ASN 319 N -3.79 2.55 -0.18 0.00 3.84 0.11 -1.68 114.94 115.78 2oi7 s ASN 319 Ca 0.36 -0.67 -0.05 0.00 0.21 0.00 0.00 52.86 52.71 2oi7 s ASN 319 Cb -0.02 -0.42 -0.03 0.00 -0.55 0.00 0.00 41.25 40.23 2oi7 s ASN 319 CO 0.21 -0.32 -0.01 -0.76 -2.79 0.00 0.00 177.10 173.44 2oi7 s LEU 320 N 2.00 3.29 0.00 3.21 1.02 0.14 -1.30 118.68 127.03 2oi7 s LEU 320 Ca 0.01 -0.16 -0.08 0.00 0.02 0.00 0.00 54.13 53.92 2oi7 s LEU 320 Cb -0.16 -1.82 0.11 0.00 0.02 0.00 0.00 46.19 44.34 2oi7 s LEU 320 CO -0.08 0.11 0.48 0.00 0.02 0.00 0.00 176.35 176.88 2oi7 n ALA 321 N 3.95 -1.07 -1.76 4.21 0.00 0.50 -0.55 120.51 125.79 2oi7 n ALA 321 Ca -0.17 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.22 2oi7 n ALA 321 Cb 0.52 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.94 2oi7 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 s ALA 322 N -3.42 2.79 -1.31 0.00 0.00 -1.26 -3.86 121.76 114.70 2oi7 s ALA 322 Ca 0.30 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 2oi7 s ALA 322 Cb -0.02 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2oi7 s ALA 322 CO 0.22 -0.93 1.14 0.00 0.00 0.00 0.00 175.76 176.18 2oi7 n ALA 323 N -0.99 -1.38 -2.85 0.00 0.00 0.19 -1.38 120.51 114.10 2oi7 n ALA 323 Ca 0.10 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 2oi7 n ALA 323 Cb 0.48 -5.00 -0.04 0.00 0.00 0.00 0.00 19.45 14.90 2oi7 n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 s THR 325 N -1.69 0.56 0.07 0.00 -4.23 -0.72 -0.72 115.64 108.92 2oi7 s THR 325 Ca 0.37 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2oi7 s THR 325 Cb -0.12 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 2oi7 s THR 325 CO 0.28 0.17 -0.17 0.27 -0.54 0.00 0.00 174.62 174.63 2oi7 s ILE 326 N 1.88 1.36 0.00 2.99 -4.36 -1.02 -1.68 121.20 120.38 2oi7 s ILE 326 Ca 0.03 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 2oi7 s ILE 326 Cb -0.14 -1.25 0.00 0.00 1.25 0.00 0.00 42.46 42.32 2oi7 s ILE 326 CO -0.06 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.64 2oi7 n GLY 327 N 1.40 -3.05 3.73 6.27 0.00 -0.19 -0.96 105.19 112.39 2oi7 n GLY 327 Ca -0.20 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 2oi7 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oi7 s PRO 328 N -0.75 0.94 -1.32 1.61 0.04 -1.26 -4.38 135.00 129.88 2oi7 s PRO 328 Ca 0.00 0.52 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 2oi7 s PRO 328 Cb 0.00 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.75 2oi7 s PRO 328 CO 0.00 -2.38 1.12 1.19 0.04 0.00 0.00 177.00 176.97 2oi7 n PHE 329 N -3.93 -2.65 -4.28 0.56 3.72 -0.61 -3.35 117.46 106.92 2oi7 n PHE 329 Ca 0.06 0.99 -0.31 0.00 -0.05 0.00 0.00 57.45 58.14 2oi7 n PHE 329 Cb 0.57 -5.02 -0.09 0.00 -0.94 0.00 0.00 39.48 34.00 2oi7 n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oi7 s ALA 330 N -3.34 3.17 -0.27 4.37 0.00 -1.24 -0.14 121.76 124.31 2oi7 s ALA 330 Ca 0.40 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 2oi7 s ALA 330 Cb -0.18 -1.18 0.08 0.00 0.00 0.00 0.00 23.12 21.84 2oi7 s ALA 330 CO 0.73 0.65 0.03 0.50 0.00 0.00 0.00 175.76 177.68 2oi7 s ARG 331 N -1.83 1.08 -0.27 0.00 3.00 -0.43 -1.33 118.95 119.18 2oi7 s ARG 331 Ca 0.21 -1.03 -0.10 0.00 -1.00 0.00 0.00 55.73 53.81 2oi7 s ARG 331 Cb -0.11 -2.35 -0.04 0.00 0.00 0.00 0.00 34.95 32.44 2oi7 s ARG 331 CO 0.12 -0.80 0.15 -0.51 0.00 0.00 0.00 175.30 174.26 2oi7 s LEU 332 N 1.50 3.84 0.41 -0.88 1.43 0.58 -1.96 118.68 123.61 2oi7 s LEU 332 Ca 0.03 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2oi7 s LEU 332 Cb -0.18 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 43.99 2oi7 s LEU 332 CO -0.14 -0.04 0.56 -0.13 0.23 0.00 0.00 176.35 176.83 2oi7 s ARG 333 N 1.65 2.86 0.05 1.70 0.52 0.21 -1.46 118.95 124.48 2oi7 s ARG 333 Ca 0.07 -1.21 -0.38 0.00 -0.52 0.00 0.00 55.73 53.69 2oi7 s ARG 333 Cb -0.16 -2.77 -0.18 0.00 0.52 0.00 0.00 34.95 32.36 2oi7 s ARG 333 CO 0.08 -0.23 1.15 -2.30 0.02 0.00 0.00 175.30 174.01 2oi7 n PRO 334 N -1.83 0.49 -0.22 3.54 -0.02 -1.08 -1.84 135.00 134.04 2oi7 n PRO 334 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2oi7 n PRO 334 Cb 0.59 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2oi7 n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oi7 n GLY 335 N 1.92 0.73 3.70 -1.23 0.00 -0.90 -1.62 105.19 107.78 2oi7 n GLY 335 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2oi7 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s ALA 336 N -2.25 3.32 -0.04 4.61 0.00 -0.77 -2.10 121.76 124.54 2oi7 s ALA 336 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2oi7 s ALA 336 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2oi7 s ALA 336 CO 0.00 -0.47 -0.09 -1.21 0.00 0.00 0.00 175.76 174.00 2oi7 s GLU 337 N 1.58 1.07 -0.11 0.00 2.02 0.06 -0.71 118.70 122.60 2oi7 s GLU 337 Ca 0.51 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 55.24 2oi7 s GLU 337 Cb -0.21 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.05 2oi7 s GLU 337 CO 0.23 0.06 -0.19 -0.51 0.02 0.00 0.00 175.26 174.87 2oi7 s LEU 338 N 0.42 1.92 0.81 1.80 1.02 -0.42 -0.64 118.68 123.59 2oi7 s LEU 338 Ca -0.07 -0.50 -0.08 0.00 0.02 0.00 0.00 54.13 53.50 2oi7 s LEU 338 Cb -0.11 -1.24 0.14 0.00 0.02 0.00 0.00 46.19 45.00 2oi7 s LEU 338 CO 0.01 0.07 1.13 -0.76 0.02 0.00 0.00 176.35 176.82 2oi7 s LEU 339 N 0.73 2.84 0.00 1.79 1.43 -0.16 -0.37 118.68 124.95 2oi7 s LEU 339 Ca -0.11 0.07 -0.39 0.00 -1.03 0.00 0.00 54.13 52.67 2oi7 s LEU 339 Cb -0.16 -2.36 -0.19 0.00 0.03 0.00 0.00 46.19 43.51 2oi7 s LEU 339 CO 0.02 -2.14 1.19 -0.62 0.23 0.00 0.00 176.35 175.02 2oi7 n GLU 340 N -3.22 0.38 -1.14 1.70 1.02 -1.26 -1.74 120.64 116.38 2oi7 n GLU 340 Ca 0.13 0.14 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 2oi7 n GLU 340 Cb 0.60 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2oi7 n GLU 340 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oi7 n GLY 341 N 1.96 0.56 3.75 0.62 0.00 -0.48 -0.83 105.19 110.79 2oi7 n GLY 341 Ca 0.20 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2oi7 n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s ALA 342 N -1.64 2.53 -0.04 4.61 0.00 -0.71 -3.81 121.76 122.71 2oi7 s ALA 342 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2oi7 s ALA 342 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2oi7 s ALA 342 CO 0.00 -1.18 -0.06 -1.58 0.00 0.00 0.00 175.76 172.95 2oi7 s HIS 343 N -1.65 0.81 -0.14 0.00 2.46 -0.51 -1.75 115.29 114.52 2oi7 s HIS 343 Ca 0.77 -0.23 0.00 0.00 0.47 0.00 0.00 55.06 56.07 2oi7 s HIS 343 Cb -0.30 -0.67 0.02 0.00 -0.13 0.00 0.00 32.58 31.50 2oi7 s HIS 343 CO 0.33 -0.17 -0.13 0.08 -2.47 0.00 0.00 174.74 172.39 2oi7 s VAL 344 N 0.71 1.44 0.00 0.89 1.01 -0.67 0.20 120.40 123.98 2oi7 s VAL 344 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2oi7 s VAL 344 Cb -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2oi7 s VAL 344 CO 0.01 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2oi7 n GLY 345 N 4.74 -0.52 3.80 4.51 0.00 0.12 -1.02 105.19 116.82 2oi7 n GLY 345 Ca -0.16 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2oi7 n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi7 s ASN 346 N -1.00 6.99 -1.27 1.61 6.03 -1.11 -3.93 114.94 122.26 2oi7 s ASN 346 Ca 0.00 1.81 -0.05 0.00 -1.03 0.00 0.00 52.86 53.59 2oi7 s ASN 346 Cb 0.00 -2.56 0.01 0.00 -3.03 0.00 0.00 41.25 35.66 2oi7 s ASN 346 CO 0.00 -0.32 1.09 0.49 -2.03 0.00 0.00 177.10 176.33 2oi7 n PHE 347 N -0.18 -2.57 -4.79 1.54 3.72 0.80 -2.85 117.46 113.15 2oi7 n PHE 347 Ca 0.05 0.97 -0.27 0.00 -0.05 0.00 0.00 57.45 58.15 2oi7 n PHE 347 Cb 0.52 -4.98 -0.17 0.00 -0.94 0.00 0.00 39.48 33.92 2oi7 n PHE 347 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2oi7 s VAL 348 N -3.33 1.41 -0.06 -4.37 1.01 -1.23 -2.50 120.40 111.34 2oi7 s VAL 348 Ca 0.36 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2oi7 s VAL 348 Cb -0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2oi7 s VAL 348 CO 0.71 0.42 -0.22 -0.70 0.00 0.00 0.00 175.10 175.31 2oi7 s GLU 349 N 0.49 2.58 -0.07 2.72 2.12 -0.33 -1.31 118.70 124.90 2oi7 s GLU 349 Ca -0.14 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.36 2oi7 s GLU 349 Cb -0.16 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 32.01 2oi7 s GLU 349 CO 0.05 0.43 -0.10 -1.64 -0.54 0.00 0.00 175.26 173.47 2oi7 s MET 350 N -0.28 1.49 -0.06 4.30 -1.94 -0.83 -0.74 119.30 121.23 2oi7 s MET 350 Ca 0.00 -0.32 -0.01 0.00 -1.71 0.00 0.00 55.69 53.65 2oi7 s MET 350 Cb -0.13 -1.33 0.03 0.00 2.01 0.00 0.00 34.83 35.41 2oi7 s MET 350 CO 0.03 -0.05 0.01 0.21 -0.01 0.00 0.00 175.02 175.20 2oi7 s LYS 351 N 0.93 0.51 -1.48 2.03 2.20 -0.26 0.64 119.74 124.30 2oi7 s LYS 351 Ca -0.10 0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.58 2oi7 s LYS 351 Cb -0.15 -0.88 0.05 0.00 -1.51 0.00 0.00 37.83 35.34 2oi7 s LYS 351 CO 0.01 -0.29 0.65 1.63 -0.36 0.00 0.00 175.35 176.98 2oi7 n LYS 352 N 5.09 -3.96 -4.30 4.03 5.02 -0.64 -0.64 118.16 122.76 2oi7 n LYS 352 Ca -0.08 0.47 -0.20 0.00 -2.02 0.00 0.00 58.31 56.49 2oi7 n LYS 352 Cb 0.50 -4.94 -0.13 0.00 -0.02 0.00 0.00 35.03 30.44 2oi7 n LYS 352 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oi7 s ALA 353 N -3.65 1.20 -0.17 7.82 0.00 -0.89 -2.18 121.76 123.89 2oi7 s ALA 353 Ca 0.28 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2oi7 s ALA 353 Cb -0.15 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2oi7 s ALA 353 CO 0.87 0.21 -0.17 0.50 0.00 0.00 0.00 175.76 177.18 2oi7 s ARG 354 N -1.35 3.11 -0.28 0.00 3.52 -0.27 -0.76 118.95 122.91 2oi7 s ARG 354 Ca 0.01 -0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 54.72 2oi7 s ARG 354 Cb -0.09 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2oi7 s ARG 354 CO 0.02 -0.12 0.18 -1.17 -0.81 0.00 0.00 175.30 173.39 2oi7 s LEU 355 N 1.13 3.99 0.00 -0.88 2.96 0.19 -0.74 118.68 125.34 2oi7 s LEU 355 Ca 0.01 -0.10 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 2oi7 s LEU 355 Cb -0.14 -2.09 0.32 0.00 0.50 0.00 0.00 46.19 44.78 2oi7 s LEU 355 CO -0.07 -0.07 0.97 0.61 -1.32 0.00 0.00 176.35 176.47 2oi7 n GLY 356 N 5.04 -3.16 3.71 7.98 0.00 0.62 -0.99 105.19 118.39 2oi7 n GLY 356 Ca -0.14 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2oi7 n GLY 356 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oi7 n LYS 357 N -5.02 2.76 -0.82 1.61 5.02 -1.26 -1.84 118.16 118.61 2oi7 n LYS 357 Ca 0.14 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 2oi7 n LYS 357 Cb 0.57 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 2oi7 n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oi7 n GLY 358 N 3.99 0.40 3.79 0.72 0.00 -0.01 -0.96 105.19 113.12 2oi7 n GLY 358 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2oi7 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oi7 s SER 359 N -2.32 6.29 -0.09 1.61 0.01 -0.77 -4.46 113.70 113.98 2oi7 s SER 359 Ca 0.00 1.99 0.02 0.00 1.31 0.00 0.00 55.95 59.26 2oi7 s SER 359 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2oi7 s SER 359 CO 0.00 -0.82 -0.13 -0.54 0.41 0.00 0.00 173.24 172.16 2oi7 s LYS 360 N -3.15 1.88 -0.63 12.44 1.02 -0.42 -1.42 119.74 129.45 2oi7 s LYS 360 Ca 0.67 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.26 2oi7 s LYS 360 Cb -0.18 -1.63 0.16 0.00 -0.52 0.00 0.00 37.83 35.66 2oi7 s LYS 360 CO 0.22 -0.06 0.42 0.00 -0.92 0.00 0.00 175.35 175.02 2oi7 s ALA 361 N 0.96 3.43 0.19 5.17 0.00 0.13 -0.95 121.76 130.69 2oi7 s ALA 361 Ca -0.08 -3.55 -0.06 0.00 0.00 0.00 0.00 51.96 48.26 2oi7 s ALA 361 Cb -0.15 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 20.96 2oi7 s ALA 361 CO -0.00 -2.07 1.56 0.78 0.00 0.00 0.00 175.76 176.03 2oi7 h GLY 362 N 5.69 0.88 -3.25 0.00 0.00 -1.77 0.33 103.07 104.95 2oi7 h GLY 362 Ca 0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 2oi7 h GLY 362 CO 0.67 0.75 0.15 0.30 0.00 0.00 0.00 176.54 178.42 2oi7 s HIS 363 N -4.46 -0.51 -0.84 5.60 0.09 -1.26 -2.76 115.29 111.15 2oi7 s HIS 363 Ca -0.10 0.42 -0.11 0.00 -0.00 0.00 0.00 55.06 55.28 2oi7 s HIS 363 Cb 0.12 0.47 0.01 0.00 -0.00 0.00 0.00 32.58 33.19 2oi7 s HIS 363 CO 0.85 -0.77 0.20 1.28 -0.00 0.00 0.00 174.74 176.31 2oi7 n LEU 364 N -0.06 -0.32 -4.20 0.89 7.99 -1.08 -2.58 117.00 117.65 2oi7 n LEU 364 Ca -0.17 -0.79 -0.20 0.00 -0.01 0.00 0.00 56.01 54.84 2oi7 n LEU 364 Cb 0.63 -0.96 -0.12 0.00 -0.11 0.00 0.00 43.42 42.86 2oi7 n LEU 364 CO 0.15 0.40 -0.47 -0.89 -1.51 0.00 0.00 177.39 175.07 2oi7 s THR 365 N -3.97 1.26 -0.16 -5.08 2.01 -1.04 -1.24 115.64 107.42 2oi7 s THR 365 Ca 0.15 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2oi7 s THR 365 Cb -0.08 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2oi7 s THR 365 CO 0.60 -0.15 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.80 2oi7 s TYR 366 N -1.19 2.10 -0.26 4.92 5.04 -1.00 -1.18 117.35 125.78 2oi7 s TYR 366 Ca 0.01 -1.27 0.00 0.00 -2.44 0.00 0.00 57.07 53.37 2oi7 s TYR 366 Cb -0.10 -1.53 0.04 0.00 0.35 0.00 0.00 41.96 40.73 2oi7 s TYR 366 CO 0.03 -0.67 -0.07 -0.51 -1.34 0.00 0.00 175.55 172.98 2oi7 s LEU 367 N 1.50 3.37 -0.04 6.97 1.43 0.08 -2.06 118.68 129.93 2oi7 s LEU 367 Ca 0.02 -1.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.01 2oi7 s LEU 367 Cb -0.14 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2oi7 s LEU 367 CO -0.09 -0.17 -0.09 -0.83 0.23 0.00 0.00 176.35 175.40 2oi7 s GLY 368 N 1.23 0.60 -1.21 -3.19 0.00 -1.25 -1.10 107.32 102.40 2oi7 s GLY 368 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 2oi7 s GLY 368 CO -0.04 0.13 0.91 1.22 0.00 0.00 0.00 173.10 175.31 2oi7 n ASP 369 N 3.68 -2.46 -4.08 1.64 8.00 0.19 -4.70 116.55 118.81 2oi7 n ASP 369 Ca -0.22 -0.69 -0.09 0.00 0.71 0.00 0.00 54.79 54.49 2oi7 n ASP 369 Cb 0.52 -4.82 -0.10 0.00 -0.02 0.00 0.00 41.12 36.69 2oi7 n ASP 369 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi7 s ALA 370 N -3.44 0.55 -0.22 2.24 0.00 -1.07 -0.74 121.76 119.07 2oi7 s ALA 370 Ca 0.07 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2oi7 s ALA 370 Cb -0.01 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.34 2oi7 s ALA 370 CO 0.76 -0.22 -0.06 -1.21 0.00 0.00 0.00 175.76 175.03 2oi7 s GLU 371 N -2.89 1.62 -0.19 0.00 2.02 0.82 -1.11 118.70 118.97 2oi7 s GLU 371 Ca -0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.04 2oi7 s GLU 371 Cb -0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 2oi7 s GLU 371 CO -0.05 -0.57 -0.05 0.42 0.02 0.00 0.00 175.26 175.03 2oi7 s ILE 372 N 1.43 3.52 0.00 -1.63 1.01 0.08 -0.62 121.20 125.00 2oi7 s ILE 372 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2oi7 s ILE 372 Cb -0.18 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.72 2oi7 s ILE 372 CO -0.07 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2oi7 n GLY 373 N 4.20 -3.01 3.91 6.18 0.00 0.11 -0.28 105.19 116.31 2oi7 n GLY 373 Ca -0.18 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 2oi7 n GLY 373 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oi7 s ASP 374 N -1.77 6.33 -1.37 1.61 1.01 -1.26 -2.45 116.67 118.78 2oi7 s ASP 374 Ca 0.00 0.78 -0.01 0.00 0.71 0.00 0.00 52.55 54.03 2oi7 s ASP 374 Cb 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2oi7 s ASP 374 CO 0.00 -0.41 0.08 0.59 0.21 0.00 0.00 175.17 175.63 2oi7 n ASN 375 N -1.79 -4.78 -4.88 0.27 3.02 -0.13 -1.29 115.26 105.69 2oi7 n ASN 375 Ca -0.01 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2oi7 n ASN 375 Cb 0.55 -4.00 -0.05 0.00 -0.61 0.00 0.00 39.78 35.67 2oi7 n ASN 375 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi7 s VAL 376 N -2.83 5.15 -0.17 2.41 1.01 -1.26 -3.81 120.40 120.89 2oi7 s VAL 376 Ca 0.05 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2oi7 s VAL 376 Cb -0.02 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2oi7 s VAL 376 CO 0.06 0.25 -0.19 0.21 0.00 0.00 0.00 175.10 175.42 2oi7 s ASN 377 N -1.89 3.07 -0.34 3.32 3.84 0.19 -1.30 114.94 121.83 2oi7 s ASN 377 Ca 0.34 -0.63 -0.10 0.00 0.21 0.00 0.00 52.86 52.68 2oi7 s ASN 377 Cb -0.13 -1.44 0.01 0.00 -0.55 0.00 0.00 41.25 39.14 2oi7 s ASN 377 CO 0.19 -0.00 0.17 -0.63 -2.79 0.00 0.00 177.10 174.03 2oi7 s ILE 378 N 1.30 4.51 0.89 -5.21 -1.09 -0.13 -0.73 121.20 120.74 2oi7 s ILE 378 Ca 0.05 -0.65 -0.12 0.00 -2.23 0.00 0.00 60.65 57.70 2oi7 s ILE 378 Cb -0.13 -3.40 0.12 0.00 -1.58 0.00 0.00 42.46 37.47 2oi7 s ILE 378 CO -0.12 -0.07 1.10 -0.83 -1.23 0.00 0.00 174.94 173.78 2oi7 s GLY 379 N 1.57 1.61 0.52 6.18 0.00 -0.09 -3.87 107.32 113.24 2oi7 s GLY 379 Ca 0.03 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.39 2oi7 s GLY 379 CO 0.06 0.35 1.30 0.00 0.00 0.00 0.00 173.10 174.81 2oi7 s ALA 380 N -3.00 2.86 0.00 3.20 0.00 -1.26 -3.00 121.76 120.56 2oi7 s ALA 380 Ca 0.63 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2oi7 s ALA 380 Cb -0.17 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2oi7 s ALA 380 CO 0.56 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2oi7 n GLY 381 N 0.64 1.38 3.77 0.00 0.00 -0.37 0.22 105.19 110.82 2oi7 n GLY 381 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2oi7 n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s THR 382 N -2.89 2.96 -0.00 2.61 2.01 -1.16 -3.86 115.64 115.31 2oi7 s THR 382 Ca 0.00 0.96 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2oi7 s THR 382 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.90 2oi7 s THR 382 CO 0.00 0.23 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.52 2oi7 s ILE 383 N -1.10 0.08 -0.30 1.82 1.01 0.11 -2.36 121.20 120.46 2oi7 s ILE 383 Ca 0.48 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.97 2oi7 s ILE 383 Cb -0.37 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2oi7 s ILE 383 CO 0.49 0.03 0.25 0.42 0.00 0.00 0.00 174.94 176.13 2oi7 s THR 384 N 0.03 5.27 -0.81 2.92 -4.23 -0.87 -1.48 115.64 116.46 2oi7 s THR 384 Ca -0.00 0.14 -0.23 0.00 -1.18 0.00 0.00 61.69 60.42 2oi7 s THR 384 Cb -0.01 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.26 2oi7 s THR 384 CO -0.00 0.14 1.19 0.00 -0.54 0.00 0.00 174.62 175.41 2oi7 n ASN 386 N 8.21 2.73 -3.56 0.00 6.94 -1.26 -1.44 115.26 126.89 2oi7 n ASN 386 Ca 0.11 -3.79 -0.01 0.00 -0.02 0.00 0.00 54.58 50.88 2oi7 n ASN 386 Cb 0.48 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.21 2oi7 n ASN 386 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2oi7 s TYR 387 N -3.29 -1.36 -2.20 -2.53 5.04 -1.26 -2.14 117.35 109.62 2oi7 s TYR 387 Ca 0.46 2.16 0.21 0.00 -2.44 0.00 0.00 57.07 57.46 2oi7 s TYR 387 Cb 0.42 0.73 0.53 0.00 0.35 0.00 0.00 41.96 43.99 2oi7 s TYR 387 CO 0.00 -0.70 1.45 -0.40 -1.34 0.00 0.00 175.55 174.56 2oi7 n ASP 388 N 5.44 3.11 0.00 4.32 5.68 -0.63 -4.89 116.55 129.57 2oi7 n ASP 388 Ca -0.10 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 2oi7 n ASP 388 Cb 0.49 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2oi7 n ASP 388 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oi7 n GLY 389 N 1.44 0.24 0.89 6.12 0.00 -1.26 -4.81 105.19 107.81 2oi7 n GLY 389 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2oi7 n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 n ALA 390 N -1.70 2.46 -2.52 4.61 0.00 -1.26 -5.12 120.51 116.97 2oi7 n ALA 390 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2oi7 n ALA 390 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 2oi7 n ALA 390 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2oi7 s ASN 391 N -3.95 3.83 -0.05 0.00 -0.87 -1.26 -5.14 114.94 107.49 2oi7 s ASN 391 Ca 0.00 -1.05 0.06 0.00 -1.57 0.00 0.00 52.86 50.30 2oi7 s ASN 391 Cb 0.00 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.25 40.81 2oi7 s ASN 391 CO 0.00 -0.10 -0.22 -0.54 -2.57 0.00 0.00 177.10 173.67 2oi7 s LYS 392 N -3.60 2.48 0.18 -0.60 1.02 -1.26 -1.61 119.74 116.35 2oi7 s LYS 392 Ca 0.32 -0.85 0.11 0.00 0.02 0.00 0.00 55.97 55.57 2oi7 s LYS 392 Cb -0.02 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2oi7 s LYS 392 CO 0.17 0.47 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.76 2oi7 s PHE 393 N -0.37 2.30 0.23 3.18 0.40 -0.91 -4.94 117.98 117.88 2oi7 s PHE 393 Ca 0.03 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 55.77 2oi7 s PHE 393 Cb -0.12 -1.17 -0.08 0.00 0.51 0.00 0.00 43.02 42.16 2oi7 s PHE 393 CO 0.02 0.45 0.78 0.21 0.70 0.00 0.00 175.22 177.38 2oi7 s LYS 394 N -2.51 4.38 -0.13 0.44 2.20 -1.26 -4.51 119.74 118.36 2oi7 s LYS 394 Ca 0.19 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.83 2oi7 s LYS 394 Cb -0.08 -2.94 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2oi7 s LYS 394 CO 0.09 0.41 -0.18 0.99 -0.36 0.00 0.00 175.35 176.30 2oi7 s THR 395 N -1.46 2.55 -0.12 3.43 2.01 0.08 -3.05 115.64 119.08 2oi7 s THR 395 Ca 0.43 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2oi7 s THR 395 Cb -0.18 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 2oi7 s THR 395 CO 0.23 0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.85 2oi7 s ILE 396 N 0.48 2.28 -0.19 1.82 1.01 -0.68 -0.13 121.20 125.79 2oi7 s ILE 396 Ca -0.12 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 2oi7 s ILE 396 Cb -0.16 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.45 2oi7 s ILE 396 CO 0.05 0.55 -0.05 -0.63 0.00 0.00 0.00 174.94 174.85 2oi7 s ILE 397 N 0.46 1.27 1.28 2.92 1.01 0.21 -0.51 121.20 127.85 2oi7 s ILE 397 Ca -0.14 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.44 2oi7 s ILE 397 Cb -0.17 -1.48 0.33 0.00 0.01 0.00 0.00 42.46 41.15 2oi7 s ILE 397 CO 0.06 0.05 0.85 0.61 0.00 0.00 0.00 174.94 176.50 2oi7 n GLY 398 N 4.80 -3.61 3.68 6.18 0.00 0.48 0.10 105.19 116.82 2oi7 n GLY 398 Ca -0.12 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 2oi7 n GLY 398 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oi7 s ASP 399 N -3.34 2.76 -0.94 1.61 1.01 -1.26 -3.98 116.67 112.52 2oi7 s ASP 399 Ca 0.62 1.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.13 2oi7 s ASP 399 Cb -0.09 -1.96 0.04 0.00 1.01 0.00 0.00 42.92 41.91 2oi7 s ASP 399 CO 0.51 -3.06 0.20 0.47 0.21 0.00 0.00 175.17 173.50 2oi7 n ASP 400 N -4.14 -3.11 -4.84 0.27 8.00 -0.41 -0.25 116.55 112.08 2oi7 n ASP 400 Ca 0.06 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.17 2oi7 n ASP 400 Cb 0.56 -2.65 -0.06 0.00 -0.02 0.00 0.00 41.12 38.96 2oi7 n ASP 400 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi7 s VAL 401 N -2.62 4.95 -0.27 2.53 1.01 -1.26 -3.38 120.40 121.36 2oi7 s VAL 401 Ca 0.18 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 2oi7 s VAL 401 Cb -0.10 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.58 2oi7 s VAL 401 CO 0.22 0.47 -0.06 0.12 0.00 0.00 0.00 175.10 175.85 2oi7 s PHE 402 N -1.20 3.18 -0.33 5.22 5.36 -0.89 -0.63 117.98 128.69 2oi7 s PHE 402 Ca 0.29 -1.89 -0.11 0.00 -0.96 0.00 0.00 56.93 54.26 2oi7 s PHE 402 Cb -0.17 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 2oi7 s PHE 402 CO 0.16 -0.80 0.19 0.08 -1.46 0.00 0.00 175.22 173.39 2oi7 s VAL 403 N 1.24 4.88 0.88 3.12 1.01 0.09 -0.83 120.40 130.79 2oi7 s VAL 403 Ca -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2oi7 s VAL 403 Cb -0.18 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.81 2oi7 s VAL 403 CO -0.04 0.02 1.16 -0.83 0.00 0.00 0.00 175.10 175.41 2oi7 s GLY 404 N 1.65 1.82 0.78 4.51 0.00 0.11 -0.92 107.32 115.29 2oi7 s GLY 404 Ca 0.05 0.66 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 2oi7 s GLY 404 CO 0.08 1.07 1.14 -1.35 0.00 0.00 0.00 173.10 174.04 2oi7 s SER 405 N -2.54 4.11 -1.36 1.64 1.04 -1.26 -3.41 113.70 111.91 2oi7 s SER 405 Ca 0.68 2.08 -0.08 0.00 0.48 0.00 0.00 55.95 59.11 2oi7 s SER 405 Cb -0.24 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.38 2oi7 s SER 405 CO 0.56 -2.31 0.54 -0.67 0.98 0.00 0.00 173.24 172.34 2oi7 n ASP 406 N -3.34 -4.40 -4.79 7.02 2.03 0.13 -0.25 116.55 112.96 2oi7 n ASP 406 Ca 0.11 -0.38 -0.38 0.00 0.52 0.00 0.00 54.79 54.67 2oi7 n ASP 406 Cb 0.52 -3.60 -0.06 0.00 -0.72 0.00 0.00 41.12 37.26 2oi7 n ASP 406 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2oi7 s THR 407 N -3.01 5.16 -0.16 5.18 2.01 -1.22 -3.65 115.64 119.95 2oi7 s THR 407 Ca 0.38 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.14 2oi7 s THR 407 Cb -0.20 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2oi7 s THR 407 CO 0.47 0.48 -0.16 0.00 -0.69 0.00 0.00 174.62 174.72 2oi7 s GLN 408 N -0.33 3.16 -0.39 4.92 -2.07 0.10 -0.71 119.66 124.33 2oi7 s GLN 408 Ca 0.22 -0.77 -0.16 0.00 -1.82 0.00 0.00 55.36 52.83 2oi7 s GLN 408 Cb -0.15 -2.61 0.01 0.00 -1.09 0.00 0.00 33.01 29.16 2oi7 s GLN 408 CO 0.10 -0.05 0.36 -0.51 -1.32 0.00 0.00 175.29 173.88 2oi7 s LEU 409 N 0.95 4.75 -0.53 2.60 1.43 -0.55 -0.64 118.68 126.70 2oi7 s LEU 409 Ca -0.03 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.26 2oi7 s LEU 409 Cb -0.15 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.81 2oi7 s LEU 409 CO -0.03 -0.44 1.00 -0.69 0.23 0.00 0.00 176.35 176.42 2oi7 s VAL 410 N 1.96 4.32 0.53 -1.59 1.01 0.23 -1.08 120.40 125.77 2oi7 s VAL 410 Ca 0.10 0.56 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 2oi7 s VAL 410 Cb -0.17 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 2oi7 s VAL 410 CO 0.12 -1.09 1.09 0.00 0.00 0.00 0.00 175.10 175.21 2oi7 s ALA 411 N 4.14 2.76 0.07 5.51 0.00 -0.52 -4.03 121.76 129.69 2oi7 s ALA 411 Ca 0.35 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2oi7 s ALA 411 Cb -0.11 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2oi7 s ALA 411 CO 0.23 -0.61 1.00 -1.25 0.00 0.00 0.00 175.76 175.13 2oi7 s PRO 412 N -3.36 4.62 0.02 0.00 0.04 -1.26 -4.81 135.00 130.24 2oi7 s PRO 412 Ca 0.70 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 2oi7 s PRO 412 Cb -0.20 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 30.97 2oi7 s PRO 412 CO 0.25 0.06 0.35 0.54 0.04 0.00 0.00 177.00 178.24 2oi7 s VAL 413 N 0.43 0.06 -0.04 -0.36 0.11 -1.17 -4.91 120.40 114.53 2oi7 s VAL 413 Ca 0.50 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2oi7 s VAL 413 Cb -0.24 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 2oi7 s VAL 413 CO 0.30 -0.29 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.79 2oi7 s THR 414 N -2.02 0.89 -0.25 5.04 2.01 -1.26 -1.69 115.64 118.37 2oi7 s THR 414 Ca -0.09 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 2oi7 s THR 414 Cb -0.02 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.71 2oi7 s THR 414 CO 0.00 0.28 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.47 2oi7 s VAL 415 N 0.34 2.88 0.99 3.82 1.01 0.34 -1.15 120.40 128.62 2oi7 s VAL 415 Ca -0.06 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 2oi7 s VAL 415 Cb -0.11 -2.48 0.15 0.00 0.00 0.00 0.00 36.38 33.94 2oi7 s VAL 415 CO 0.01 0.17 0.92 0.61 0.00 0.00 0.00 175.10 176.81 2oi7 n GLY 416 N 4.66 -1.12 3.75 4.51 0.00 0.51 -0.39 105.19 117.12 2oi7 n GLY 416 Ca -0.16 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2oi7 n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi7 s LYS 417 N -4.34 3.18 0.00 1.61 1.02 -1.26 -2.65 119.74 117.30 2oi7 s LYS 417 Ca 0.65 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.76 2oi7 s LYS 417 Cb -0.23 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2oi7 s LYS 417 CO 0.62 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.33 2oi7 n GLY 418 N 0.68 0.24 3.74 -3.33 0.00 0.66 -1.02 105.19 106.16 2oi7 n GLY 418 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2oi7 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s ALA 419 N -1.71 1.87 -0.02 4.61 0.00 -1.09 -3.92 121.76 121.50 2oi7 s ALA 419 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2oi7 s ALA 419 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2oi7 s ALA 419 CO 0.00 -2.11 -0.08 0.99 0.00 0.00 0.00 175.76 174.56 2oi7 s THR 420 N -2.88 0.67 -0.20 0.00 2.01 0.13 -2.09 115.64 113.28 2oi7 s THR 420 Ca 0.63 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2oi7 s THR 420 Cb -0.18 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.74 2oi7 s THR 420 CO 0.57 0.22 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.92 2oi7 s ILE 421 N 0.25 2.29 0.66 1.82 1.01 -0.01 0.14 121.20 127.36 2oi7 s ILE 421 Ca -0.03 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 2oi7 s ILE 421 Cb -0.08 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 2oi7 s ILE 421 CO 0.00 0.44 1.11 0.00 0.00 0.00 0.00 174.94 176.50 2oi7 n ALA 422 N 4.63 0.48 -1.74 9.38 0.00 -0.61 0.08 120.51 132.72 2oi7 n ALA 422 Ca -0.20 -0.06 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 2oi7 n ALA 422 Cb 0.49 -2.21 0.05 0.00 0.00 0.00 0.00 19.45 17.78 2oi7 n ALA 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 s ALA 423 N -1.56 2.71 -1.25 0.00 0.00 -1.26 -3.00 121.76 117.40 2oi7 s ALA 423 Ca 0.78 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 2oi7 s ALA 423 Cb -0.38 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2oi7 s ALA 423 CO 0.45 -1.45 0.14 0.41 0.00 0.00 0.00 175.76 175.30 2oi7 n GLY 424 N 0.77 -0.24 3.89 0.00 0.00 0.65 -4.94 105.19 105.33 2oi7 n GLY 424 Ca 0.12 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2oi7 n GLY 424 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s THR 425 N -2.83 5.35 -0.36 2.61 2.01 -1.16 -4.81 115.64 116.44 2oi7 s THR 425 Ca 0.07 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 2oi7 s THR 425 Cb -0.03 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.99 2oi7 s THR 425 CO 0.08 0.39 0.14 -0.89 -0.69 0.00 0.00 174.62 173.65 2oi7 s THR 426 N -1.27 3.78 -0.42 -0.82 2.01 -1.26 -0.72 115.64 116.93 2oi7 s THR 426 Ca 0.26 -1.28 -0.21 0.00 0.31 0.00 0.00 61.69 60.78 2oi7 s THR 426 Cb -0.13 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.19 2oi7 s THR 426 CO 0.15 -0.28 0.65 -0.69 -0.69 0.00 0.00 174.62 173.76 2oi7 s VAL 427 N 1.38 4.83 -0.25 3.82 1.01 0.19 -4.84 120.40 126.53 2oi7 s VAL 427 Ca -0.00 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2oi7 s VAL 427 Cb -0.20 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 2oi7 s VAL 427 CO 0.02 -0.54 0.26 0.35 0.00 0.00 0.00 175.10 175.19 2oi7 n THR 428 N 5.81 0.00 -4.28 3.92 -2.24 -1.26 0.75 114.28 116.98 2oi7 n THR 428 Ca -0.01 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 2oi7 n THR 428 Cb 0.48 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 2oi7 n THR 428 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2oi7 s ARG 429 N -1.81 1.13 0.61 -0.78 0.52 -1.26 -4.95 118.95 112.42 2oi7 s ARG 429 Ca 0.02 -1.43 -0.19 0.00 -0.52 0.00 0.00 55.73 53.60 2oi7 s ARG 429 Cb 0.05 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 2oi7 s ARG 429 CO 0.28 0.14 1.29 -0.80 0.02 0.00 0.00 175.30 176.22 2oi7 s ASN 430 N -3.01 4.89 -0.15 0.23 0.01 -1.26 -4.73 114.94 110.92 2oi7 s ASN 430 Ca 0.16 2.60 -0.01 0.00 -0.71 0.00 0.00 52.86 54.90 2oi7 s ASN 430 Cb -0.01 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 2oi7 s ASN 430 CO 0.03 -1.81 -0.10 -0.69 -1.51 0.00 0.00 177.10 173.02 2oi7 s VAL 431 N -1.42 3.29 0.87 1.60 1.01 -0.30 -4.98 120.40 120.47 2oi7 s VAL 431 Ca 0.79 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2oi7 s VAL 431 Cb -0.36 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 33.72 2oi7 s VAL 431 CO 0.40 0.51 1.15 -0.83 0.00 0.00 0.00 175.10 176.32 2oi7 s GLY 432 N 0.49 1.76 0.40 4.51 0.00 -1.26 -0.36 107.32 112.85 2oi7 s GLY 432 Ca -0.07 0.57 -0.25 0.00 0.00 0.00 0.00 44.72 44.97 2oi7 s GLY 432 CO 0.04 0.98 1.19 -0.54 0.00 0.00 0.00 173.10 174.77 2oi7 s GLU 433 N -4.61 4.05 -1.50 2.90 2.02 -1.26 -2.78 118.70 117.51 2oi7 s GLU 433 Ca 0.67 1.90 0.00 0.00 0.02 0.00 0.00 54.97 57.56 2oi7 s GLU 433 Cb -0.23 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.30 2oi7 s GLU 433 CO 0.56 -0.34 0.00 0.09 0.02 0.00 0.00 175.26 175.60 2oi7 n ASN 434 N 0.12 -5.07 -4.57 -0.19 3.02 -0.18 -4.85 115.26 103.52 2oi7 n ASN 434 Ca 0.04 0.09 -0.24 0.00 -0.03 0.00 0.00 54.58 54.44 2oi7 n ASN 434 Cb 0.46 -4.27 -0.08 0.00 -0.61 0.00 0.00 39.78 35.28 2oi7 n ASN 434 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oi7 s ALA 435 N -2.85 3.00 -0.26 5.41 0.00 -1.12 -4.87 121.76 121.07 2oi7 s ALA 435 Ca 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.10 2oi7 s ALA 435 Cb 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2oi7 s ALA 435 CO 0.00 0.25 0.09 -1.17 0.00 0.00 0.00 175.76 174.92 2oi7 s LEU 436 N -3.61 3.58 0.02 0.00 2.96 -1.26 0.17 118.68 120.54 2oi7 s LEU 436 Ca 0.31 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.80 2oi7 s LEU 436 Cb -0.05 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 2oi7 s LEU 436 CO 0.18 -0.07 0.41 0.00 -1.32 0.00 0.00 176.35 175.55 2oi7 s ALA 437 N 1.61 3.70 0.03 5.97 0.00 0.12 -4.98 121.76 128.22 2oi7 s ALA 437 Ca 0.06 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 2oi7 s ALA 437 Cb -0.16 -2.37 0.07 0.00 0.00 0.00 0.00 23.12 20.66 2oi7 s ALA 437 CO 0.04 0.50 0.63 -1.50 0.00 0.00 0.00 175.76 175.43 2oi7 s ILE 438 N -1.16 0.00 -0.46 0.00 2.07 -1.26 -1.57 121.20 118.83 2oi7 s ILE 438 Ca 0.26 -0.03 0.07 0.00 -1.41 0.00 0.00 60.65 59.54 2oi7 s ILE 438 Cb -0.16 -1.00 0.28 0.00 0.13 0.00 0.00 42.46 41.72 2oi7 s ILE 438 CO 0.14 -0.01 0.95 -1.54 -1.91 0.00 0.00 174.94 172.57 2oi7 n SER 439 N 0.40 -2.12 -4.51 4.50 3.41 -1.26 -4.96 113.62 109.09 2oi7 n SER 439 Ca -0.18 -3.41 -0.33 0.00 -0.26 0.00 0.00 58.87 54.69 2oi7 n SER 439 Cb 0.60 1.48 -0.12 0.00 -0.26 0.00 0.00 64.21 65.91 2oi7 n SER 439 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2oi7 s ARG 440 N 0.11 2.53 -0.18 4.33 3.52 -1.26 -4.72 118.95 123.27 2oi7 s ARG 440 Ca 0.29 -0.68 -0.17 0.00 -0.13 0.00 0.00 55.73 55.04 2oi7 s ARG 440 Cb 0.26 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 2oi7 s ARG 440 CO -0.14 0.63 0.42 0.08 -0.81 0.00 0.00 175.30 175.48 2oi7 s VAL 441 N -0.78 5.19 0.18 7.11 1.01 -1.26 -5.02 120.40 126.83 2oi7 s VAL 441 Ca 0.12 0.78 -0.33 0.00 0.00 0.00 0.00 61.98 62.55 2oi7 s VAL 441 Cb -0.11 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2oi7 s VAL 441 CO 0.01 0.26 1.42 -2.65 0.00 0.00 0.00 175.10 174.14 2oi7 n PRO 442 N 4.33 1.81 -1.86 2.72 -0.02 -1.26 -4.88 135.00 135.84 2oi7 n PRO 442 Ca -0.08 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2oi7 n PRO 442 Cb 0.51 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2oi7 n PRO 442 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2oi7 s GLN 443 N 0.16 4.18 0.48 -0.52 0.74 -1.26 -5.02 119.66 118.42 2oi7 s GLN 443 Ca 0.75 2.43 0.03 0.00 0.05 0.00 0.00 55.36 58.62 2oi7 s GLN 443 Cb -0.73 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 29.98 2oi7 s GLN 443 CO 0.46 -0.71 0.01 0.95 -0.55 0.00 0.00 175.29 175.45 2oi7 s THR 444 N 1.90 1.37 0.03 -0.34 -4.23 -1.26 -5.16 115.64 107.95 2oi7 s THR 444 Ca 0.74 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.15 2oi7 s THR 444 Cb -0.44 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.00 2oi7 s THR 444 CO 0.33 0.00 0.21 -1.58 -0.54 0.00 0.00 174.62 173.04 2oi7 s GLN 445 N -3.83 0.67 -0.22 3.99 0.74 -1.26 -5.13 119.66 114.62 2oi7 s GLN 445 Ca 0.15 -0.53 -0.02 0.00 0.05 0.00 0.00 55.36 55.01 2oi7 s GLN 445 Cb 0.04 0.28 0.07 0.00 1.10 0.00 0.00 33.01 34.50 2oi7 s GLN 445 CO 0.08 -0.19 0.03 0.21 -0.55 0.00 0.00 175.29 174.87 2oi7 s LYS 446 N -2.22 0.82 0.52 1.67 2.20 -1.26 -5.13 119.74 116.34 2oi7 s LYS 446 Ca -0.08 -0.60 -0.22 0.00 -0.36 0.00 0.00 55.97 54.71 2oi7 s LYS 446 Cb -0.03 -2.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.06 2oi7 s LYS 446 CO -0.02 -0.68 1.21 0.39 -0.36 0.00 0.00 175.35 175.89 2oi7 n GLU 447 N 4.96 1.50 -3.92 4.03 4.71 -1.26 -3.79 120.64 126.87 2oi7 n GLU 447 Ca -0.09 0.55 -0.30 0.00 -0.01 0.00 0.00 57.16 57.31 2oi7 n GLU 447 Cb 0.46 -2.38 -0.00 0.00 -1.01 0.00 0.00 31.44 28.51 2oi7 n GLU 447 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2oi7 n GLY 448 N 0.95 -0.51 3.59 0.62 0.00 -1.26 -4.92 105.19 103.65 2oi7 n GLY 448 Ca 0.10 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 2oi7 n GLY 448 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2oi7 s TRP 449 N -3.80 3.14 -0.08 1.61 -0.00 -1.25 -5.04 118.94 113.52 2oi7 s TRP 449 Ca 0.20 0.56 -0.18 0.00 -0.00 0.00 0.00 56.10 56.69 2oi7 s TRP 449 Cb -0.08 -3.32 -0.05 0.00 -0.00 0.00 0.00 33.47 30.02 2oi7 s TRP 449 CO 0.90 -0.68 0.47 -0.98 -0.00 0.00 0.00 176.95 176.66 2oi7 s ARG 450 N 3.00 4.24 0.54 5.86 1.70 -1.26 -5.08 118.95 127.95 2oi7 s ARG 450 Ca 0.30 0.46 -0.15 0.00 -0.47 0.00 0.00 55.73 55.88 2oi7 s ARG 450 Cb -0.14 -3.37 -0.07 0.00 -0.57 0.00 0.00 34.95 30.80 2oi7 s ARG 450 CO 0.16 0.31 0.99 1.03 -1.08 0.00 0.00 175.30 176.71 2oi7 s ARG 451 N 0.12 3.86 0.00 3.89 0.52 -1.26 -5.30 118.95 120.78 2oi7 s ARG 451 Ca 0.26 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 2oi7 s ARG 451 Cb -0.16 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.18 2oi7 s ARG 451 CO 0.12 -0.34 0.19 -2.30 0.02 0.00 0.00 175.30 172.99