#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oi6 n ASN 4 N 0.00 -4.10 -1.32 6.41 4.13 -1.26 -5.06 115.26 114.06 2oi6 n ASN 4 Ca 0.00 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.51 2oi6 n ASN 4 Cb 0.00 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.63 2oi6 n ASN 4 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oi6 n ALA 5 N -1.69 0.00 -3.46 5.41 0.00 -1.26 -4.95 120.51 114.56 2oi6 n ALA 5 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 2oi6 n ALA 5 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 2oi6 n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 s MET 6 N -0.70 1.15 0.15 0.00 0.23 -1.26 -1.00 119.30 117.87 2oi6 s MET 6 Ca 0.00 -0.08 0.10 0.00 -1.03 0.00 0.00 55.69 54.68 2oi6 s MET 6 Cb 0.00 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 33.79 2oi6 s MET 6 CO 0.00 -0.43 -0.21 -1.12 -2.03 0.00 0.00 175.02 171.24 2oi6 s SER 7 N -1.89 3.66 -0.02 -1.18 0.01 -0.39 -0.49 113.70 113.41 2oi6 s SER 7 Ca -0.06 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.53 2oi6 s SER 7 Cb -0.00 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 2oi6 s SER 7 CO -0.00 0.15 -0.05 -0.69 0.41 0.00 0.00 173.24 173.06 2oi6 s VAL 8 N -1.34 3.77 -0.12 3.43 1.01 0.69 -1.49 120.40 126.35 2oi6 s VAL 8 Ca 0.19 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2oi6 s VAL 8 Cb -0.09 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.69 2oi6 s VAL 8 CO 0.10 0.45 -0.14 0.54 0.00 0.00 0.00 175.10 176.05 2oi6 s VAL 9 N -0.96 1.43 -0.24 2.92 0.11 0.18 0.45 120.40 124.29 2oi6 s VAL 9 Ca 0.16 -0.58 -0.06 0.00 -2.93 0.00 0.00 61.98 58.57 2oi6 s VAL 9 Cb -0.11 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 2oi6 s VAL 9 CO 0.06 0.43 0.04 -0.63 -3.33 0.00 0.00 175.10 171.67 2oi6 s ILE 10 N 1.23 4.09 -0.25 7.04 1.01 0.16 -0.77 121.20 133.70 2oi6 s ILE 10 Ca -0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 2oi6 s ILE 10 Cb -0.14 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 2oi6 s ILE 10 CO -0.05 0.36 0.71 -0.76 0.00 0.00 0.00 174.94 175.20 2oi6 s LEU 11 N 1.55 4.07 0.00 2.97 1.43 -0.60 -1.06 118.68 127.03 2oi6 s LEU 11 Ca 0.06 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2oi6 s LEU 11 Cb -0.15 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2oi6 s LEU 11 CO 0.02 -0.43 0.85 0.00 0.23 0.00 0.00 176.35 177.02 2oi6 n ALA 12 N 5.84 1.75 0.39 4.21 0.00 0.85 -1.20 120.51 132.35 2oi6 n ALA 12 Ca 0.02 -0.83 0.12 0.00 0.00 0.00 0.00 53.44 52.74 2oi6 n ALA 12 Cb 0.48 -0.36 0.11 0.00 0.00 0.00 0.00 19.45 19.68 2oi6 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 h ALA 13 N 0.00 0.56 -2.85 0.00 0.00 -1.61 -3.41 119.26 111.95 2oi6 h ALA 13 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2oi6 h ALA 13 Cb 1.29 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.13 2oi6 h ALA 13 CO 0.00 0.00 0.60 0.20 0.00 0.00 0.00 179.25 180.05 2oi6 s GLY 14 N -3.93 2.98 -0.45 0.00 0.00 -1.26 -1.98 107.32 102.69 2oi6 s GLY 14 Ca 0.04 1.17 -0.25 0.00 0.00 0.00 0.00 44.72 45.69 2oi6 s GLY 14 CO 0.75 1.83 0.88 1.25 0.00 0.00 0.00 173.10 177.80 2oi6 s LYS 15 N -1.62 3.52 -0.92 2.90 2.20 -1.26 -4.46 119.74 120.10 2oi6 s LYS 15 Ca 0.48 0.11 -0.24 0.00 -0.36 0.00 0.00 55.97 55.96 2oi6 s LYS 15 Cb -0.38 -3.92 0.02 0.00 -1.51 0.00 0.00 37.83 32.05 2oi6 s LYS 15 CO 0.49 -1.16 1.55 0.20 -0.36 0.00 0.00 175.35 176.07 2oi6 s GLY 16 N 2.19 0.91 0.31 5.54 0.00 -1.26 -4.75 107.32 110.26 2oi6 s GLY 16 Ca 0.35 -1.86 0.05 0.00 0.00 0.00 0.00 44.72 43.26 2oi6 s GLY 16 CO 0.24 2.89 1.80 -0.84 0.00 0.00 0.00 173.10 177.19 2oi6 h THR 17 N 6.77 0.77 0.00 0.90 2.02 -1.92 -0.18 112.91 121.27 2oi6 h THR 17 Ca 0.07 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2oi6 h THR 17 Cb 1.02 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2oi6 h THR 17 CO 1.35 0.15 0.00 0.54 0.37 0.00 0.00 175.52 177.92 2oi6 n ARG 18 N -4.70 0.14 0.13 6.66 1.74 -1.26 -0.17 116.66 119.19 2oi6 n ARG 18 Ca 0.22 0.62 0.13 0.00 -0.77 0.00 0.00 57.85 58.04 2oi6 n ARG 18 Cb 0.52 -1.93 0.37 0.00 -1.02 0.00 0.00 32.46 30.40 2oi6 n ARG 18 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2oi6 h MET 19 N 0.00 0.00 -6.71 5.56 2.86 -1.05 -3.41 114.93 112.18 2oi6 h MET 19 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2oi6 h MET 19 Cb 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 2oi6 h MET 19 CO 0.00 0.00 -0.93 0.66 1.06 0.00 0.00 176.91 177.70 2oi6 n TYR 20 N -2.41 -1.52 -4.33 -0.22 4.02 0.76 -4.79 117.16 108.66 2oi6 n TYR 20 Ca 0.05 0.60 -0.19 0.00 -0.01 0.00 0.00 57.90 58.35 2oi6 n TYR 20 Cb 0.44 -3.31 -0.10 0.00 -0.02 0.00 0.00 39.34 36.35 2oi6 n TYR 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2oi6 s SER 21 N -4.20 2.53 0.00 7.72 0.15 -1.26 -5.00 113.70 113.63 2oi6 s SER 21 Ca 0.10 -0.98 0.24 0.00 0.70 0.00 0.00 55.95 56.01 2oi6 s SER 21 Cb -0.05 -0.13 0.40 0.00 -1.71 0.00 0.00 66.02 64.53 2oi6 s SER 21 CO 0.93 -0.15 1.38 0.47 1.20 0.00 0.00 173.24 177.07 2oi6 n ASP 22 N -0.21 2.91 -4.55 5.45 8.00 -1.26 -4.86 116.55 122.02 2oi6 n ASP 22 Ca -0.09 -1.93 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 2oi6 n ASP 22 Cb 0.60 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 2oi6 n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2oi6 s LEU 23 N -1.80 3.46 0.16 0.64 2.96 -1.26 -5.06 118.68 117.77 2oi6 s LEU 23 Ca 0.33 -0.04 -0.34 0.00 -0.22 0.00 0.00 54.13 53.86 2oi6 s LEU 23 Cb 0.21 -1.84 -0.15 0.00 0.50 0.00 0.00 46.19 44.90 2oi6 s LEU 23 CO 0.31 0.18 1.37 -2.65 -1.32 0.00 0.00 176.35 174.24 2oi6 n PRO 24 N 3.45 1.58 -0.33 0.98 -0.02 -1.26 -4.85 135.00 134.55 2oi6 n PRO 24 Ca -0.17 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 2oi6 n PRO 24 Cb 0.52 -2.21 0.25 0.00 -0.02 0.00 0.00 33.50 32.05 2oi6 n PRO 24 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2oi6 h LYS 25 N 4.53 0.04 0.00 -0.52 3.64 -1.87 -0.73 116.57 121.66 2oi6 h LYS 25 Ca -0.45 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2oi6 h LYS 25 Cb 1.30 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2oi6 h LYS 25 CO 0.78 0.02 0.00 1.33 -2.27 0.00 0.00 179.45 179.31 2oi6 n VAL 26 N -5.46 1.07 0.68 2.00 0.24 -1.26 -1.61 118.33 113.99 2oi6 n VAL 26 Ca 0.21 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.89 2oi6 n VAL 26 Cb 0.68 -1.06 0.14 0.00 -1.47 0.00 0.00 33.84 32.13 2oi6 n VAL 26 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2oi6 n LEU 27 N -1.47 0.63 -4.77 1.34 4.77 -0.28 -1.08 117.00 116.15 2oi6 n LEU 27 Ca 0.03 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 2oi6 n LEU 27 Cb 0.14 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2oi6 n LEU 27 CO 0.11 0.03 1.06 -1.00 -1.33 0.00 0.00 177.39 176.25 2oi6 s HIS 28 N -3.13 2.53 0.24 -1.77 3.76 -0.63 -4.51 115.29 111.78 2oi6 s HIS 28 Ca 0.07 1.28 -0.08 0.00 -0.15 0.00 0.00 55.06 56.18 2oi6 s HIS 28 Cb 0.15 -3.89 -0.06 0.00 1.11 0.00 0.00 32.58 29.89 2oi6 s HIS 28 CO 0.74 -2.80 0.54 0.95 -0.85 0.00 0.00 174.74 173.33 2oi6 s THR 29 N -1.20 4.97 -0.08 1.30 -4.23 -1.26 -1.07 115.64 114.07 2oi6 s THR 29 Ca 0.59 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2oi6 s THR 29 Cb -0.43 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 69.78 2oi6 s THR 29 CO 0.56 -0.15 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.23 2oi6 s LEU 30 N -3.04 0.96 -1.43 4.79 0.20 0.63 -4.73 118.68 116.06 2oi6 s LEU 30 Ca 0.46 -0.18 -0.09 0.00 0.69 0.00 0.00 54.13 55.01 2oi6 s LEU 30 Cb -0.11 -0.60 0.06 0.00 -0.43 0.00 0.00 46.19 45.11 2oi6 s LEU 30 CO 0.24 -0.14 0.67 0.00 -0.29 0.00 0.00 176.35 176.84 2oi6 n ALA 31 N 4.84 -1.10 -0.28 5.97 0.00 -1.26 -1.33 120.51 127.35 2oi6 n ALA 31 Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2oi6 n ALA 31 Cb 0.50 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.33 2oi6 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 32 N -1.43 1.67 3.29 0.00 0.00 -1.26 -3.91 105.19 103.56 2oi6 n GLY 32 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2oi6 n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2oi6 s LYS 33 N -0.27 2.17 0.23 1.61 2.20 -0.44 -4.99 119.74 120.26 2oi6 s LYS 33 Ca 0.00 -0.91 -0.31 0.00 -0.36 0.00 0.00 55.97 54.39 2oi6 s LYS 33 Cb 0.00 -2.03 -0.13 0.00 -1.51 0.00 0.00 37.83 34.15 2oi6 s LYS 33 CO 0.00 0.51 1.42 0.00 -0.36 0.00 0.00 175.35 176.92 2oi6 n ALA 34 N 2.57 1.15 -0.29 3.13 0.00 -1.26 -0.27 120.51 125.54 2oi6 n ALA 34 Ca -0.16 0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.80 2oi6 n ALA 34 Cb 0.51 -2.28 0.27 0.00 0.00 0.00 0.00 19.45 17.95 2oi6 n ALA 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2oi6 h MET 35 N 4.35 0.37 -0.11 0.00 0.00 -0.92 0.66 114.93 119.28 2oi6 h MET 35 Ca -0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 59.70 59.17 2oi6 h MET 35 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 31.60 32.78 2oi6 h MET 35 CO 0.77 0.25 -0.18 -0.24 0.00 0.00 0.00 176.91 177.50 2oi6 h VAL 36 N 0.38 1.19 -0.32 -2.22 3.04 -1.17 -1.74 116.25 115.41 2oi6 h VAL 36 Ca 0.51 -0.86 -0.12 0.00 -1.01 0.00 0.00 66.70 65.22 2oi6 h VAL 36 Cb 0.93 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 2oi6 h VAL 36 CO -0.51 0.26 -0.30 -0.61 -1.01 0.00 0.00 177.57 175.40 2oi6 h GLN 37 N 0.17 0.67 -0.48 4.17 5.75 -1.16 0.56 115.11 124.79 2oi6 h GLN 37 Ca 0.03 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 2oi6 h GLN 37 Cb 0.43 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2oi6 h GLN 37 CO 0.03 0.88 0.26 0.45 -2.65 0.00 0.00 178.83 177.80 2oi6 h HIS 38 N 0.57 0.65 -0.38 3.99 3.86 -0.52 0.46 115.15 123.79 2oi6 h HIS 38 Ca 0.07 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2oi6 h HIS 38 Cb 0.79 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 2oi6 h HIS 38 CO 0.04 0.49 0.06 0.28 0.86 0.00 0.00 177.93 179.65 2oi6 h VAL 39 N 0.63 1.24 -0.87 2.45 2.07 -1.06 -2.82 116.25 117.89 2oi6 h VAL 39 Ca 0.17 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2oi6 h VAL 39 Cb 0.05 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2oi6 h VAL 39 CO -0.03 0.29 0.47 0.40 0.02 0.00 0.00 177.57 178.72 2oi6 h ILE 40 N 0.47 1.26 -0.89 4.57 2.04 -0.62 -1.23 117.51 123.10 2oi6 h ILE 40 Ca 0.11 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2oi6 h ILE 40 Cb 0.36 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 2oi6 h ILE 40 CO 0.01 0.29 0.53 0.44 0.00 0.00 0.00 178.15 179.42 2oi6 h ASP 41 N 1.22 1.07 -0.37 1.72 3.32 -0.77 -0.97 116.42 121.64 2oi6 h ASP 41 Ca 0.31 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2oi6 h ASP 41 Cb 0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2oi6 h ASP 41 CO -0.05 0.83 -0.03 0.00 -1.72 0.00 0.00 179.24 178.27 2oi6 h ALA 42 N 1.29 0.50 -0.80 3.45 0.00 -1.16 -3.24 119.26 119.30 2oi6 h ALA 42 Ca 0.32 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2oi6 h ALA 42 Cb -0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2oi6 h ALA 42 CO -0.06 0.30 0.52 0.00 0.00 0.00 0.00 179.25 180.01 2oi6 h ALA 43 N 0.85 1.02 0.00 0.00 0.00 -0.85 -2.25 119.26 118.02 2oi6 h ALA 43 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2oi6 h ALA 43 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2oi6 h ALA 43 CO 0.03 0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.80 2oi6 n ASN 44 N -4.52 0.00 -0.94 0.00 3.02 -0.40 -2.47 115.26 109.95 2oi6 n ASN 44 Ca 0.08 0.03 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 2oi6 n ASN 44 Cb 0.02 -0.23 0.23 0.00 -0.61 0.00 0.00 39.78 39.18 2oi6 n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2oi6 n GLU 45 N -1.23 2.90 0.00 3.52 -0.58 -0.85 -4.48 120.64 119.92 2oi6 n GLU 45 Ca 0.06 -2.34 0.11 0.00 -0.42 0.00 0.00 57.16 54.57 2oi6 n GLU 45 Cb 0.08 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2oi6 n GLU 45 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2oi6 n LEU 46 N 0.85 2.22 -2.71 -4.62 4.77 -1.03 -4.97 117.00 111.50 2oi6 n LEU 46 Ca 0.17 -0.80 -0.12 0.00 -0.03 0.00 0.00 56.01 55.24 2oi6 n LEU 46 Cb 0.55 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2oi6 n LEU 46 CO 0.12 0.40 0.07 0.61 -1.33 0.00 0.00 177.39 177.26 2oi6 n GLY 47 N 1.40 -0.21 3.87 -0.72 0.00 -1.26 -5.00 105.19 103.28 2oi6 n GLY 47 Ca 0.10 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2oi6 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 48 N -3.26 3.60 0.09 4.61 0.00 -1.26 -4.74 121.76 120.80 2oi6 s ALA 48 Ca 0.06 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 2oi6 s ALA 48 Cb -0.01 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.63 2oi6 s ALA 48 CO 0.51 0.53 1.44 0.00 0.00 0.00 0.00 175.76 178.24 2oi6 h ALA 49 N 2.70 0.41 -3.07 0.00 0.00 -1.17 -3.46 119.26 114.68 2oi6 h ALA 49 Ca -0.47 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 2oi6 h ALA 49 Cb 1.17 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.65 2oi6 h ALA 49 CO 0.69 0.34 -0.70 -1.01 0.00 0.00 0.00 179.25 178.57 2oi6 s HIS 50 N -4.51 0.23 -0.22 0.00 3.76 -1.26 -5.05 115.29 108.24 2oi6 s HIS 50 Ca -0.13 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.32 2oi6 s HIS 50 Cb 0.08 -0.17 0.05 0.00 1.11 0.00 0.00 32.58 33.66 2oi6 s HIS 50 CO 0.81 -0.17 -0.08 0.08 -0.85 0.00 0.00 174.74 174.53 2oi6 s VAL 51 N -1.29 1.64 -0.04 -0.90 1.01 -1.26 -0.22 120.40 119.33 2oi6 s VAL 51 Ca -0.14 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 2oi6 s VAL 51 Cb -0.09 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2oi6 s VAL 51 CO -0.01 0.01 0.31 -1.00 0.00 0.00 0.00 175.10 174.41 2oi6 s HIS 52 N 1.37 3.68 -0.26 5.22 3.76 0.17 -0.46 115.29 128.75 2oi6 s HIS 52 Ca -0.04 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 55.69 2oi6 s HIS 52 Cb -0.18 -2.15 0.07 0.00 1.11 0.00 0.00 32.58 31.43 2oi6 s HIS 52 CO -0.07 0.68 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.31 2oi6 s LEU 53 N -1.09 2.99 -0.29 0.89 2.96 -0.54 0.35 118.68 123.95 2oi6 s LEU 53 Ca 0.21 -1.43 -0.23 0.00 -0.22 0.00 0.00 54.13 52.46 2oi6 s LEU 53 Cb -0.15 -1.25 -0.00 0.00 0.50 0.00 0.00 46.19 45.29 2oi6 s LEU 53 CO 0.10 -0.28 0.78 -0.69 -1.32 0.00 0.00 176.35 174.94 2oi6 s VAL 54 N 1.31 4.82 0.32 1.68 1.01 -0.23 -1.02 120.40 128.29 2oi6 s VAL 54 Ca -0.01 1.25 0.09 0.00 0.00 0.00 0.00 61.98 63.31 2oi6 s VAL 54 Cb -0.19 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2oi6 s VAL 54 CO -0.09 -0.18 -0.08 -0.72 0.00 0.00 0.00 175.10 174.03 2oi6 s TYR 55 N 2.88 2.25 0.00 5.22 -0.85 -0.43 -0.11 117.35 126.31 2oi6 s TYR 55 Ca 0.32 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 2oi6 s TYR 55 Cb -0.14 -1.29 0.00 0.00 0.38 0.00 0.00 41.96 40.91 2oi6 s TYR 55 CO 0.11 0.48 0.00 0.41 -1.52 0.00 0.00 175.55 175.03 2oi6 n GLY 56 N -0.72 -1.20 3.67 5.49 0.00 -1.26 -0.45 105.19 110.72 2oi6 n GLY 56 Ca -0.05 0.62 -0.47 0.00 0.00 0.00 0.00 46.02 46.12 2oi6 n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2oi6 n HIS 57 N 0.00 2.25 -2.75 1.61 -0.00 -0.84 -1.82 115.22 113.67 2oi6 n HIS 57 Ca 0.00 0.24 -0.22 0.00 -0.00 0.00 0.00 57.72 57.74 2oi6 n HIS 57 Cb 0.00 -2.56 0.01 0.00 -0.00 0.00 0.00 29.99 27.45 2oi6 n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2oi6 n GLY 58 N 3.55 -0.51 0.41 1.57 0.00 -1.26 -4.84 105.19 104.11 2oi6 n GLY 58 Ca 0.18 0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.48 2oi6 n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oi6 h GLY 59 N -0.76 0.79 0.98 -0.02 0.00 -1.75 -0.61 103.07 101.70 2oi6 h GLY 59 Ca -0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2oi6 h GLY 59 CO 0.57 -0.01 0.27 -0.55 0.00 0.00 0.00 176.54 176.82 2oi6 h ASP 60 N 0.36 0.57 -0.58 0.19 3.32 -1.89 0.11 116.42 118.50 2oi6 h ASP 60 Ca 0.47 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2oi6 h ASP 60 Cb 1.24 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2oi6 h ASP 60 CO -0.16 0.48 0.31 -0.07 -1.72 0.00 0.00 179.24 178.08 2oi6 h LEU 61 N 0.61 0.74 -0.38 1.55 3.38 -1.51 -1.91 115.31 117.80 2oi6 h LEU 61 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2oi6 h LEU 61 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2oi6 h LEU 61 CO -0.03 0.63 0.20 -0.07 0.09 0.00 0.00 178.44 179.26 2oi6 h LEU 62 N 0.79 0.47 -1.23 1.67 3.38 -0.97 -0.95 115.31 118.46 2oi6 h LEU 62 Ca 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2oi6 h LEU 62 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2oi6 h LEU 62 CO -0.03 0.43 0.38 0.11 0.09 0.00 0.00 178.44 179.42 2oi6 h LYS 63 N 0.48 0.91 0.00 1.13 1.57 -0.49 0.18 116.57 120.36 2oi6 h LYS 63 Ca 0.13 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 2oi6 h LYS 63 Cb 0.06 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2oi6 h LYS 63 CO -0.02 0.65 -0.85 0.37 -0.57 0.00 0.00 179.45 179.03 2oi6 h GLN 64 N 0.92 0.00 0.15 3.15 5.75 -1.17 -3.31 115.11 120.60 2oi6 h GLN 64 Ca 0.24 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.43 2oi6 h GLN 64 Cb -0.01 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.55 2oi6 h GLN 64 CO -0.04 0.85 -1.49 0.00 -2.65 0.00 0.00 178.83 175.50 2oi6 h ALA 65 N 1.15 0.15 -2.66 3.38 0.00 -0.67 -3.43 119.26 117.18 2oi6 h ALA 65 Ca -0.01 -1.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.18 2oi6 h ALA 65 Cb 1.51 0.23 -0.21 0.00 0.00 0.00 0.00 17.79 19.32 2oi6 h ALA 65 CO 0.11 1.02 -0.47 -0.51 0.00 0.00 0.00 179.25 179.40 2oi6 s LEU 66 N -7.15 4.76 -0.50 0.00 1.43 0.60 -4.96 118.68 112.85 2oi6 s LEU 66 Ca -0.09 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 2oi6 s LEU 66 Cb 0.06 -2.11 0.41 0.00 0.03 0.00 0.00 46.19 44.58 2oi6 s LEU 66 CO 0.88 -0.35 1.27 0.29 0.23 0.00 0.00 176.35 178.67 2oi6 n LYS 67 N 5.09 3.32 -3.38 1.70 5.02 -1.26 -4.70 118.16 123.95 2oi6 n LYS 67 Ca -0.12 -4.32 -0.40 0.00 -2.02 0.00 0.00 58.31 51.45 2oi6 n LYS 67 Cb 0.48 -2.26 -0.09 0.00 -0.02 0.00 0.00 35.03 33.14 2oi6 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oi6 s ASP 68 N -3.12 6.23 0.00 4.39 1.01 -1.26 -4.96 116.67 118.96 2oi6 s ASP 68 Ca 0.49 0.06 0.13 0.00 0.71 0.00 0.00 52.55 53.93 2oi6 s ASP 68 Cb 0.41 -2.21 0.52 0.00 1.01 0.00 0.00 42.92 42.65 2oi6 s ASP 68 CO -0.22 -0.27 1.37 0.47 0.21 0.00 0.00 175.17 176.73 2oi6 n ASP 69 N 5.40 1.02 -0.46 0.27 8.00 -1.26 -2.94 116.55 126.58 2oi6 n ASP 69 Ca -0.08 -1.80 0.12 0.00 0.71 0.00 0.00 54.79 53.74 2oi6 n ASP 69 Cb 0.50 -0.10 0.18 0.00 -0.02 0.00 0.00 41.12 41.68 2oi6 n ASP 69 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2oi6 n ASN 70 N -0.03 1.74 -4.76 -2.24 4.05 -1.26 -4.92 115.26 107.84 2oi6 n ASN 70 Ca 0.11 -1.35 -0.40 0.00 0.45 0.00 0.00 54.58 53.39 2oi6 n ASN 70 Cb 0.19 0.27 -0.05 0.00 1.23 0.00 0.00 39.78 41.42 2oi6 n ASN 70 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2oi6 s LEU 71 N -2.40 4.50 -0.42 1.20 1.43 -1.15 -4.08 118.68 117.77 2oi6 s LEU 71 Ca 0.23 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 2oi6 s LEU 71 Cb 0.19 -3.21 0.05 0.00 0.03 0.00 0.00 46.19 43.25 2oi6 s LEU 71 CO 0.51 0.11 0.28 0.21 0.23 0.00 0.00 176.35 177.68 2oi6 s ASN 72 N -0.51 5.85 -0.23 2.29 3.04 0.39 -4.98 114.94 120.79 2oi6 s ASN 72 Ca 0.36 -1.21 -0.29 0.00 0.04 0.00 0.00 52.86 51.76 2oi6 s ASN 72 Cb -0.21 -2.07 -0.01 0.00 -1.54 0.00 0.00 41.25 37.42 2oi6 s ASN 72 CO 0.23 -0.50 1.32 0.26 -3.04 0.00 0.00 177.10 175.38 2oi6 s TRP 73 N 1.55 2.68 -0.24 0.43 0.52 -1.26 -1.46 118.94 121.16 2oi6 s TRP 73 Ca 0.03 0.88 -0.03 0.00 0.02 0.00 0.00 56.10 57.00 2oi6 s TRP 73 Cb -0.21 -3.74 0.01 0.00 -1.15 0.00 0.00 33.47 28.38 2oi6 s TRP 73 CO 0.06 -1.88 -0.04 0.08 0.02 0.00 0.00 176.95 175.19 2oi6 s VAL 74 N 4.05 3.19 0.07 4.03 1.01 -0.19 -4.95 120.40 127.61 2oi6 s VAL 74 Ca 0.57 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2oi6 s VAL 74 Cb -0.20 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2oi6 s VAL 74 CO 0.20 0.27 0.93 -0.22 0.00 0.00 0.00 175.10 176.28 2oi6 s LEU 75 N 1.40 4.46 -0.56 3.92 2.96 -1.26 -1.31 118.68 128.29 2oi6 s LEU 75 Ca 0.03 1.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.68 2oi6 s LEU 75 Cb -0.16 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.15 2oi6 s LEU 75 CO -0.03 -0.11 0.33 -1.58 -1.32 0.00 0.00 176.35 173.64 2oi6 s GLN 76 N 0.27 1.99 0.41 1.98 0.74 0.41 -4.91 119.66 120.54 2oi6 s GLN 76 Ca 0.47 -2.73 0.10 0.00 0.05 0.00 0.00 55.36 53.25 2oi6 s GLN 76 Cb -0.22 -3.16 0.92 0.00 1.10 0.00 0.00 33.01 31.64 2oi6 s GLN 76 CO 0.28 -1.17 1.99 0.00 -0.55 0.00 0.00 175.29 175.83 2oi6 h ALA 77 N 6.19 1.87 -3.18 1.58 0.00 -1.95 -3.39 119.26 120.39 2oi6 h ALA 77 Ca 0.00 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 2oi6 h ALA 77 Cb 0.86 -0.13 -0.34 0.00 0.00 0.00 0.00 17.79 18.18 2oi6 h ALA 77 CO 0.66 0.02 -0.86 -1.21 0.00 0.00 0.00 179.25 177.86 2oi6 s GLU 78 N -5.49 3.05 -1.04 0.00 2.02 -1.26 -4.92 118.70 111.05 2oi6 s GLU 78 Ca -0.08 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 53.89 2oi6 s GLU 78 Cb 0.19 -2.49 0.13 0.00 0.10 0.00 0.00 34.13 32.06 2oi6 s GLU 78 CO 0.75 -0.04 1.30 -0.65 0.02 0.00 0.00 175.26 176.64 2oi6 s GLN 79 N 0.89 3.76 -0.18 1.61 1.11 -1.26 -4.79 119.66 120.81 2oi6 s GLN 79 Ca -0.05 -1.91 0.16 0.00 0.01 0.00 0.00 55.36 53.58 2oi6 s GLN 79 Cb -0.15 -5.07 0.79 0.00 -1.01 0.00 0.00 33.01 27.57 2oi6 s GLN 79 CO -0.03 -1.87 1.71 1.28 0.01 0.00 0.00 175.29 176.38 2oi6 n LEU 80 N 6.79 5.33 0.00 2.90 4.77 -1.26 -5.03 117.00 130.50 2oi6 n LEU 80 Ca 0.31 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 2oi6 n LEU 80 Cb 0.47 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2oi6 n LEU 80 CO 0.58 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 2oi6 n GLY 81 N 0.90 3.76 0.29 -0.72 0.00 -1.26 -1.28 105.19 106.88 2oi6 n GLY 81 Ca 0.27 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.65 2oi6 n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oi6 h THR 82 N 1.00 1.08 -0.19 2.61 1.35 -1.91 0.37 112.91 117.21 2oi6 h THR 82 Ca 0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.67 2oi6 h THR 82 Cb 0.00 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 2oi6 h THR 82 CO 0.00 0.08 -0.01 1.23 -0.25 0.00 0.00 175.52 176.57 2oi6 h GLY 83 N 0.40 0.38 1.56 5.82 0.00 -0.92 -2.13 103.07 108.18 2oi6 h GLY 83 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2oi6 h GLY 83 CO -0.02 0.26 0.00 0.84 0.00 0.00 0.00 176.54 177.62 2oi6 h HIS 84 N 0.10 0.57 -0.48 5.60 6.17 -1.43 -1.92 115.15 123.76 2oi6 h HIS 84 Ca 0.05 -0.06 -0.04 0.00 0.71 0.00 0.00 60.37 61.03 2oi6 h HIS 84 Cb 0.42 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 2oi6 h HIS 84 CO 0.04 0.55 0.14 0.00 0.71 0.00 0.00 177.93 179.37 2oi6 h ALA 85 N 1.48 0.63 -0.33 5.26 0.00 -0.68 -2.76 119.26 122.86 2oi6 h ALA 85 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2oi6 h ALA 85 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2oi6 h ALA 85 CO 0.01 0.30 0.04 0.52 0.00 0.00 0.00 179.25 180.12 2oi6 h MET 86 N 0.65 0.49 -0.17 0.00 2.86 -1.03 -1.68 114.93 116.04 2oi6 h MET 86 Ca 0.15 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2oi6 h MET 86 Cb 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2oi6 h MET 86 CO -0.00 0.48 0.11 1.96 1.06 0.00 0.00 176.91 180.52 2oi6 h GLN 87 N 0.48 0.17 0.00 1.72 4.20 -1.07 0.46 115.11 121.07 2oi6 h GLN 87 Ca 0.11 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2oi6 h GLN 87 Cb 0.24 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2oi6 h GLN 87 CO 0.00 0.11 -0.40 1.96 -0.67 0.00 0.00 178.83 179.83 2oi6 h GLN 88 N 0.17 0.00 0.00 1.46 1.08 -1.18 -3.00 115.11 113.65 2oi6 h GLN 88 Ca 0.07 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2oi6 h GLN 88 Cb 0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2oi6 h GLN 88 CO -0.01 0.40 -1.31 0.00 -0.95 0.00 0.00 178.83 176.96 2oi6 n ALA 89 N -2.33 2.51 -0.33 3.87 0.00 -0.47 -4.41 120.51 119.35 2oi6 n ALA 89 Ca -0.01 -0.35 0.22 0.00 0.00 0.00 0.00 53.44 53.30 2oi6 n ALA 89 Cb 0.50 -0.99 0.44 0.00 0.00 0.00 0.00 19.45 19.40 2oi6 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 h ALA 90 N 1.92 1.80 0.00 0.00 0.00 -0.81 0.25 119.26 122.42 2oi6 h ALA 90 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2oi6 h ALA 90 Cb 1.08 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2oi6 h ALA 90 CO 0.01 -0.58 0.09 -1.35 0.00 0.00 0.00 179.25 177.42 2oi6 h PRO 91 N 0.27 0.00 -0.12 0.00 0.11 -1.77 -0.48 132.00 130.00 2oi6 h PRO 91 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 2oi6 h PRO 91 Cb 1.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.69 2oi6 h PRO 91 CO -0.64 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.34 2oi6 n PHE 92 N -2.99 0.13 -2.89 0.65 3.01 0.08 -4.92 117.46 110.52 2oi6 n PHE 92 Ca -0.03 -0.06 -0.41 0.00 1.01 0.00 0.00 57.45 57.96 2oi6 n PHE 92 Cb 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.58 2oi6 n PHE 92 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2oi6 s PHE 93 N -1.87 3.65 0.17 1.38 2.99 -0.19 -5.05 117.98 119.06 2oi6 s PHE 93 Ca 0.32 1.49 -0.16 0.00 0.00 0.00 0.00 56.93 58.57 2oi6 s PHE 93 Cb 0.21 -2.94 -0.07 0.00 0.00 0.00 0.00 43.02 40.22 2oi6 s PHE 93 CO 0.31 0.09 0.60 0.00 -0.00 0.00 0.00 175.22 176.22 2oi6 s ALA 94 N 0.67 3.53 0.40 5.36 0.00 -1.26 -4.93 121.76 125.52 2oi6 s ALA 94 Ca 0.44 -0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.46 2oi6 s ALA 94 Cb -0.20 -2.62 0.82 0.00 0.00 0.00 0.00 23.12 21.13 2oi6 s ALA 94 CO 0.23 0.41 1.93 -0.44 0.00 0.00 0.00 175.76 177.89 2oi6 h ASP 95 N 3.55 0.17 -0.59 0.00 3.32 -1.97 -3.06 116.42 117.84 2oi6 h ASP 95 Ca -0.48 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 2oi6 h ASP 95 Cb 1.19 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2oi6 h ASP 95 CO 0.65 0.34 0.02 -0.90 -1.72 0.00 0.00 179.24 177.64 2oi6 n ASP 96 N -4.28 5.71 -4.27 6.45 5.68 -1.26 -3.54 116.55 121.04 2oi6 n ASP 96 Ca -0.01 -2.96 -0.19 0.00 -0.50 0.00 0.00 54.79 51.13 2oi6 n ASP 96 Cb 0.27 -0.70 -0.11 0.00 -1.14 0.00 0.00 41.12 39.44 2oi6 n ASP 96 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2oi6 s GLU 97 N -2.80 1.11 0.35 0.11 -1.05 -1.16 -4.38 118.70 110.89 2oi6 s GLU 97 Ca 0.55 -1.32 -0.22 0.00 -0.15 0.00 0.00 54.97 53.83 2oi6 s GLU 97 Cb 0.42 -1.01 -0.10 0.00 -0.44 0.00 0.00 34.13 33.00 2oi6 s GLU 97 CO 0.16 0.19 0.90 -0.51 0.95 0.00 0.00 175.26 176.95 2oi6 s ASP 98 N -2.60 7.10 -0.23 0.83 1.01 -0.17 -0.11 116.67 122.49 2oi6 s ASP 98 Ca 0.12 1.67 0.00 0.00 0.71 0.00 0.00 52.55 55.05 2oi6 s ASP 98 Cb -0.04 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2oi6 s ASP 98 CO 0.04 -0.18 -0.11 -0.63 0.21 0.00 0.00 175.17 174.50 2oi6 s ILE 99 N -1.85 2.45 -0.27 0.77 -1.09 0.25 -1.26 121.20 120.19 2oi6 s ILE 99 Ca 0.54 -1.17 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 2oi6 s ILE 99 Cb -0.14 -2.24 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2oi6 s ILE 99 CO 0.19 0.23 0.19 -0.22 -1.23 0.00 0.00 174.94 174.10 2oi6 s LEU 100 N 1.25 4.04 -0.22 2.97 2.96 -0.55 -1.53 118.68 127.60 2oi6 s LEU 100 Ca -0.01 0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 2oi6 s LEU 100 Cb -0.17 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 2oi6 s LEU 100 CO -0.07 -0.03 0.14 -0.32 -1.32 0.00 0.00 176.35 174.74 2oi6 s MET 101 N 1.64 4.12 0.20 1.98 -2.45 0.05 -0.65 119.30 124.19 2oi6 s MET 101 Ca 0.07 -0.25 0.11 0.00 -1.25 0.00 0.00 55.69 54.37 2oi6 s MET 101 Cb -0.16 -3.45 -0.04 0.00 1.25 0.00 0.00 34.83 32.43 2oi6 s MET 101 CO 0.10 0.19 -0.24 -0.51 1.05 0.00 0.00 175.02 175.61 2oi6 s LEU 102 N 0.66 2.44 -0.09 4.11 1.43 0.05 -3.04 118.68 124.23 2oi6 s LEU 102 Ca 0.07 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.28 2oi6 s LEU 102 Cb -0.12 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2oi6 s LEU 102 CO 0.01 0.12 0.01 -0.31 0.23 0.00 0.00 176.35 176.40 2oi6 s TYR 103 N -1.71 3.18 -0.94 0.29 4.12 -1.26 -1.56 117.35 119.47 2oi6 s TYR 103 Ca 0.21 0.18 0.16 0.00 0.02 0.00 0.00 57.07 57.65 2oi6 s TYR 103 Cb -0.08 -1.81 0.68 0.00 -1.52 0.00 0.00 41.96 39.23 2oi6 s TYR 103 CO 0.10 0.45 1.51 0.41 0.02 0.00 0.00 175.55 178.04 2oi6 n GLY 104 N 2.24 -1.05 1.12 0.71 0.00 -0.34 -2.56 105.19 105.31 2oi6 n GLY 104 Ca -0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 2oi6 n GLY 104 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oi6 n ASP 105 N -1.59 3.13 -3.36 1.61 5.75 -1.26 -3.65 116.55 117.17 2oi6 n ASP 105 Ca 0.03 -3.46 -0.26 0.00 -0.01 0.00 0.00 54.79 51.10 2oi6 n ASP 105 Cb 0.18 -0.61 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 2oi6 n ASP 105 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2oi6 n VAL 106 N -0.88 0.89 -0.12 2.12 0.31 -1.06 -1.18 118.33 118.41 2oi6 n VAL 106 Ca 0.30 -4.62 -0.00 0.00 -0.01 0.00 0.00 64.34 60.01 2oi6 n VAL 106 Cb 1.02 -2.02 0.26 0.00 -0.91 0.00 0.00 33.84 32.18 2oi6 n VAL 106 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2oi6 h PRO 107 N 4.26 0.80 -0.38 5.55 0.13 -1.80 -3.33 132.00 137.23 2oi6 h PRO 107 Ca 0.15 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2oi6 h PRO 107 Cb 0.77 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2oi6 h PRO 107 CO 0.65 0.63 0.00 1.28 -0.23 0.00 0.00 178.00 180.34 2oi6 n LEU 108 N -4.35 1.74 -4.67 1.56 4.77 -1.26 -4.04 117.00 110.74 2oi6 n LEU 108 Ca 0.05 -0.87 -0.47 0.00 -0.03 0.00 0.00 56.01 54.69 2oi6 n LEU 108 Cb 0.14 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2oi6 n LEU 108 CO 0.38 0.38 1.28 0.00 -1.33 0.00 0.00 177.39 178.10 2oi6 n ILE 109 N 0.32 0.19 -3.33 -0.08 0.13 -0.61 -4.49 119.36 111.49 2oi6 n ILE 109 Ca 0.10 -0.03 -0.34 0.00 -1.10 0.00 0.00 62.75 61.38 2oi6 n ILE 109 Cb 0.30 -1.62 -0.06 0.00 -0.84 0.00 0.00 39.64 37.43 2oi6 n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2oi6 s SER 110 N 1.94 6.77 0.24 9.51 1.04 -1.26 -4.84 113.70 127.10 2oi6 s SER 110 Ca 0.84 1.08 -0.04 0.00 0.48 0.00 0.00 55.95 58.30 2oi6 s SER 110 Cb -0.70 -2.29 0.40 0.00 0.10 0.00 0.00 66.02 63.53 2oi6 s SER 110 CO 0.43 -0.01 1.80 0.58 0.98 0.00 0.00 173.24 177.03 2oi6 h VAL 111 N 2.40 0.90 -0.13 5.02 2.07 -1.93 -2.13 116.25 122.44 2oi6 h VAL 111 Ca -0.48 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 66.81 2oi6 h VAL 111 Cb 1.18 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2oi6 h VAL 111 CO 0.67 0.14 -0.09 1.05 0.02 0.00 0.00 177.57 179.36 2oi6 h GLU 112 N 0.77 -0.09 -0.95 1.57 9.09 -1.98 -0.16 114.58 122.83 2oi6 h GLU 112 Ca 0.40 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.83 2oi6 h GLU 112 Cb 0.38 0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 27.45 2oi6 h GLU 112 CO -0.25 -0.06 0.63 1.15 0.05 0.00 0.00 179.01 180.52 2oi6 h THR 113 N -0.10 1.23 -0.50 -1.06 2.02 -1.86 -1.65 112.91 111.00 2oi6 h THR 113 Ca 0.08 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 2oi6 h THR 113 Cb 0.21 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 2oi6 h THR 113 CO -0.19 0.23 -0.07 -0.07 0.37 0.00 0.00 175.52 175.80 2oi6 h LEU 114 N 1.28 0.87 -0.87 2.58 3.38 -0.86 -0.20 115.31 121.48 2oi6 h LEU 114 Ca 0.35 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2oi6 h LEU 114 Cb -0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 2oi6 h LEU 114 CO -0.08 0.97 -0.05 1.56 0.09 0.00 0.00 178.44 180.92 2oi6 h GLN 115 N 0.80 0.78 -0.54 1.13 1.08 -0.47 -0.28 115.11 117.62 2oi6 h GLN 115 Ca 0.14 -0.23 -0.11 0.00 -1.45 0.00 0.00 58.65 57.00 2oi6 h GLN 115 Cb 0.57 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2oi6 h GLN 115 CO 0.03 0.82 -0.10 0.00 -0.95 0.00 0.00 178.83 178.64 2oi6 h ARG 116 N 0.72 1.01 -0.31 1.46 3.08 -0.93 -2.37 114.38 117.04 2oi6 h ARG 116 Ca 0.13 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2oi6 h ARG 116 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2oi6 h ARG 116 CO 0.03 1.05 0.12 1.25 -1.07 0.00 0.00 179.97 181.34 2oi6 h LEU 117 N 0.90 0.43 -1.19 3.04 5.85 -0.73 -0.95 115.31 122.65 2oi6 h LEU 117 Ca 0.14 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.77 2oi6 h LEU 117 Cb 0.66 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2oi6 h LEU 117 CO 0.05 0.49 0.57 -0.09 -0.34 0.00 0.00 178.44 179.12 2oi6 h ARG 118 N 0.35 0.90 0.00 1.25 2.43 -0.86 -1.83 114.38 116.61 2oi6 h ARG 118 Ca 0.10 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2oi6 h ARG 118 Cb 0.20 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2oi6 h ARG 118 CO -0.01 0.60 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.28 2oi6 h ASP 119 N 0.93 0.00 0.77 -3.80 3.32 -1.00 -3.13 116.42 113.51 2oi6 h ASP 119 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2oi6 h ASP 119 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2oi6 h ASP 119 CO -0.16 0.33 -0.19 0.00 -1.72 0.00 0.00 179.24 177.50 2oi6 n ALA 120 N -2.21 2.81 -1.84 3.45 0.00 -0.40 -4.85 120.51 117.47 2oi6 n ALA 120 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 2oi6 n ALA 120 Cb 0.59 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 2oi6 n ALA 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2oi6 s LYS 121 N -2.97 3.81 0.47 0.00 2.20 -1.03 -4.76 119.74 117.47 2oi6 s LYS 121 Ca 0.14 2.12 -0.22 0.00 -0.36 0.00 0.00 55.97 57.66 2oi6 s LYS 121 Cb 0.19 -4.14 -0.08 0.00 -1.51 0.00 0.00 37.83 32.28 2oi6 s LYS 121 CO 0.59 -1.30 1.10 -1.25 -0.36 0.00 0.00 175.35 174.13 2oi6 s PRO 122 N 4.89 3.77 0.22 4.03 0.04 -1.26 -4.94 135.00 141.75 2oi6 s PRO 122 Ca 0.84 1.57 -0.32 0.00 0.04 0.00 0.00 61.00 63.13 2oi6 s PRO 122 Cb -0.34 -2.27 -0.13 0.00 0.04 0.00 0.00 34.50 31.81 2oi6 s PRO 122 CO 0.34 -0.50 1.51 0.94 0.04 0.00 0.00 177.00 179.34 2oi6 n GLN 123 N -0.70 2.22 -0.76 4.56 0.00 -1.26 -0.66 117.38 120.79 2oi6 n GLN 123 Ca 0.08 0.80 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 2oi6 n GLN 123 Cb 0.50 -2.52 0.00 0.00 0.00 0.00 0.00 30.24 28.22 2oi6 n GLN 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2oi6 n GLY 124 N 2.66 0.13 0.00 1.69 0.00 -1.26 -4.83 105.19 103.58 2oi6 n GLY 124 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2oi6 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oi6 n GLY 125 N -1.03 5.55 3.09 -0.02 0.00 0.17 -4.71 105.19 108.22 2oi6 n GLY 125 Ca 0.00 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 2oi6 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi6 s ILE 126 N 1.72 1.01 -0.25 -0.61 1.01 -0.14 -4.42 121.20 119.52 2oi6 s ILE 126 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2oi6 s ILE 126 Cb 0.00 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2oi6 s ILE 126 CO 0.00 0.29 0.24 -0.83 0.00 0.00 0.00 174.94 174.64 2oi6 s GLY 127 N -0.29 1.96 -0.16 6.18 0.00 -0.60 -0.60 107.32 113.80 2oi6 s GLY 127 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.89 2oi6 s GLY 127 CO -0.00 0.64 -0.20 -2.27 0.00 0.00 0.00 173.10 171.26 2oi6 s LEU 128 N 1.49 2.08 -0.36 0.66 2.96 0.57 -1.31 118.68 124.78 2oi6 s LEU 128 Ca 0.10 -0.62 -0.27 0.00 -0.22 0.00 0.00 54.13 53.13 2oi6 s LEU 128 Cb -0.15 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.12 2oi6 s LEU 128 CO 0.08 0.02 0.97 -0.22 -1.32 0.00 0.00 176.35 175.87 2oi6 s LEU 129 N 1.16 3.96 0.24 -0.68 2.96 -0.68 -0.41 118.68 125.24 2oi6 s LEU 129 Ca 0.01 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 2oi6 s LEU 129 Cb -0.14 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 2oi6 s LEU 129 CO -0.09 -0.87 -0.01 0.42 -1.32 0.00 0.00 176.35 174.47 2oi6 s THR 130 N 3.55 1.16 0.14 3.68 -4.23 0.92 -2.45 115.64 118.41 2oi6 s THR 130 Ca 0.40 -2.05 -0.24 0.00 -1.18 0.00 0.00 61.69 58.62 2oi6 s THR 130 Cb -0.12 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.42 2oi6 s THR 130 CO 0.18 -0.31 0.65 0.54 -0.54 0.00 0.00 174.62 175.14 2oi6 s VAL 131 N -3.34 0.00 -0.17 2.29 0.11 -1.04 -4.15 120.40 114.09 2oi6 s VAL 131 Ca 0.29 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 2oi6 s VAL 131 Cb 0.05 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2oi6 s VAL 131 CO 0.09 0.00 0.06 -0.75 -3.33 0.00 0.00 175.10 171.17 2oi6 s LYS 132 N -3.66 3.90 0.12 1.54 2.20 -1.26 0.09 119.74 122.66 2oi6 s LYS 132 Ca 0.02 -0.34 0.10 0.00 -0.36 0.00 0.00 55.97 55.38 2oi6 s LYS 132 Cb -0.01 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 2oi6 s LYS 132 CO -0.11 0.31 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.44 2oi6 s LEU 133 N 0.25 2.31 0.34 5.43 1.43 -0.63 -4.99 118.68 122.82 2oi6 s LEU 133 Ca 0.04 -0.73 0.13 0.00 -1.03 0.00 0.00 54.13 52.54 2oi6 s LEU 133 Cb -0.12 -1.07 0.59 0.00 0.03 0.00 0.00 46.19 45.62 2oi6 s LEU 133 CO 0.00 0.12 1.74 0.44 0.23 0.00 0.00 176.35 178.88 2oi6 h ASP 134 N 3.95 0.00 -3.48 2.29 3.32 -1.99 -3.37 116.42 117.13 2oi6 h ASP 134 Ca -0.49 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.94 2oi6 h ASP 134 Cb 1.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 2oi6 h ASP 134 CO 0.40 0.46 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.03 2oi6 s ASP 135 N -6.80 4.25 0.00 6.45 2.15 -1.26 -4.97 116.67 116.49 2oi6 s ASP 135 Ca -0.02 -2.07 0.10 0.00 0.43 0.00 0.00 52.55 50.99 2oi6 s ASP 135 Cb 0.13 -1.22 0.31 0.00 -0.30 0.00 0.00 42.92 41.85 2oi6 s ASP 135 CO 0.73 -0.37 1.25 -0.81 -0.17 0.00 0.00 175.17 175.80 2oi6 n PRO 136 N 4.31 1.65 -1.66 4.34 -0.04 -1.26 -4.97 135.00 137.37 2oi6 n PRO 136 Ca 0.02 -1.01 -0.49 0.00 -0.04 0.00 0.00 63.50 61.99 2oi6 n PRO 136 Cb 0.40 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 2oi6 n PRO 136 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2oi6 n THR 137 N 0.31 0.14 0.00 0.52 -1.04 -1.26 -1.36 114.28 111.59 2oi6 n THR 137 Ca 0.10 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2oi6 n THR 137 Cb 0.24 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 2oi6 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oi6 n GLY 138 N 3.45 2.42 3.89 3.41 0.00 -1.26 -5.03 105.19 112.06 2oi6 n GLY 138 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2oi6 n GLY 138 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oi6 s TYR 139 N -2.24 3.45 0.37 1.61 1.51 -0.46 -4.64 117.35 116.95 2oi6 s TYR 139 Ca 0.00 0.78 -0.27 0.00 -1.01 0.00 0.00 57.07 56.57 2oi6 s TYR 139 Cb 0.00 -2.19 -0.09 0.00 -0.11 0.00 0.00 41.96 39.56 2oi6 s TYR 139 CO 0.00 0.23 1.24 0.20 -1.11 0.00 0.00 175.55 176.11 2oi6 s GLY 140 N -2.69 2.94 -0.09 0.71 0.00 -1.26 -3.66 107.32 103.27 2oi6 s GLY 140 Ca 0.46 1.13 -0.11 0.00 0.00 0.00 0.00 44.72 46.20 2oi6 s GLY 140 CO 0.25 1.71 0.25 0.50 0.00 0.00 0.00 173.10 175.81 2oi6 s ARG 141 N -2.05 3.76 -0.16 2.90 3.00 0.31 -0.80 118.95 125.91 2oi6 s ARG 141 Ca 0.53 0.08 -0.22 0.00 0.00 0.00 0.00 55.73 56.12 2oi6 s ARG 141 Cb -0.36 -3.25 -0.02 0.00 0.00 0.00 0.00 34.95 31.32 2oi6 s ARG 141 CO 0.46 0.64 0.70 0.42 0.00 0.00 0.00 175.30 177.52 2oi6 s ILE 142 N -0.75 4.99 -0.05 1.52 -1.09 -0.74 -0.20 121.20 124.88 2oi6 s ILE 142 Ca 0.18 1.35 -0.03 0.00 -2.23 0.00 0.00 60.65 59.92 2oi6 s ILE 142 Cb -0.14 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2oi6 s ILE 142 CO 0.07 0.12 0.12 0.42 -1.23 0.00 0.00 174.94 174.43 2oi6 s THR 143 N 1.75 5.12 0.05 2.92 -4.23 0.01 -4.87 115.64 116.39 2oi6 s THR 143 Ca 0.33 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 2oi6 s THR 143 Cb -0.16 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2oi6 s THR 143 CO 0.12 0.46 -0.10 -0.13 -0.54 0.00 0.00 174.62 174.44 2oi6 s ARG 144 N -1.46 0.63 -0.05 3.99 0.52 -1.26 -0.74 118.95 120.58 2oi6 s ARG 144 Ca 0.20 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2oi6 s ARG 144 Cb -0.12 -0.49 0.03 0.00 0.52 0.00 0.00 34.95 34.89 2oi6 s ARG 144 CO 0.11 0.10 0.01 -1.21 0.02 0.00 0.00 175.30 174.33 2oi6 s GLU 145 N -1.50 0.39 -1.45 3.54 0.41 0.48 -4.81 118.70 115.76 2oi6 s GLU 145 Ca -0.06 0.15 -0.11 0.00 -0.41 0.00 0.00 54.97 54.54 2oi6 s GLU 145 Cb -0.09 -0.75 0.05 0.00 -1.78 0.00 0.00 34.13 31.56 2oi6 s GLU 145 CO 0.01 -0.26 1.04 0.09 -0.49 0.00 0.00 175.26 175.65 2oi6 n ASN 146 N 4.91 -5.04 0.00 -0.19 3.02 -1.26 -0.37 115.26 116.33 2oi6 n ASN 146 Ca -0.11 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2oi6 n ASN 146 Cb 0.50 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 2oi6 n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oi6 n GLY 147 N -1.78 1.09 3.86 7.41 0.00 -1.26 -4.99 105.19 109.51 2oi6 n GLY 147 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2oi6 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi6 s LYS 148 N -0.24 3.84 -0.05 1.61 1.02 0.50 -5.04 119.74 121.39 2oi6 s LYS 148 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 2oi6 s LYS 148 Cb 0.00 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2oi6 s LYS 148 CO 0.00 0.58 1.25 0.08 -0.92 0.00 0.00 175.35 176.34 2oi6 s VAL 149 N -1.33 4.14 -0.13 3.17 1.01 -1.26 -0.39 120.40 125.61 2oi6 s VAL 149 Ca 0.32 1.47 0.12 0.00 0.00 0.00 0.00 61.98 63.89 2oi6 s VAL 149 Cb -0.15 -3.95 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 2oi6 s VAL 149 CO 0.17 -0.01 0.31 0.35 0.00 0.00 0.00 175.10 175.92 2oi6 n THR 150 N 4.66 0.00 -2.67 3.92 -2.24 0.08 -4.72 114.28 113.31 2oi6 n THR 150 Ca 0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2oi6 n THR 150 Cb 0.46 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2oi6 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oi6 n GLY 151 N 1.70 -1.55 3.07 3.38 0.00 -1.21 -3.59 105.19 107.00 2oi6 n GLY 151 Ca -0.01 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 2oi6 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi6 s ILE 152 N -2.75 1.19 -0.20 -0.61 1.01 -1.26 -0.81 121.20 117.78 2oi6 s ILE 152 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2oi6 s ILE 152 Cb 0.00 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.45 2oi6 s ILE 152 CO 0.00 0.36 -0.18 0.54 0.00 0.00 0.00 174.94 175.66 2oi6 s VAL 153 N 0.28 2.10 0.67 2.92 0.11 0.72 -4.79 120.40 122.41 2oi6 s VAL 153 Ca -0.07 -1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 57.70 2oi6 s VAL 153 Cb -0.12 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.75 2oi6 s VAL 153 CO 0.02 0.40 1.15 -0.62 -3.33 0.00 0.00 175.10 172.72 2oi6 n GLU 154 N 4.58 0.86 -0.14 1.54 -0.58 -1.26 -0.53 120.64 125.10 2oi6 n GLU 154 Ca -0.19 0.35 -0.03 0.00 -0.42 0.00 0.00 57.16 56.86 2oi6 n GLU 154 Cb 0.48 -2.38 0.05 0.00 -0.57 0.00 0.00 31.44 29.02 2oi6 n GLU 154 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2oi6 h HIS 155 N 0.22 0.12 -0.99 -0.32 -0.00 -1.82 0.60 115.15 112.96 2oi6 h HIS 155 Ca -0.49 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2oi6 h HIS 155 Cb 1.34 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.71 2oi6 h HIS 155 CO 0.40 -0.01 0.66 0.87 -0.00 0.00 0.00 177.93 179.85 2oi6 h LYS 156 N 0.21 1.26 0.00 5.26 1.79 -1.92 -2.41 116.57 120.76 2oi6 h LYS 156 Ca 0.22 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2oi6 h LYS 156 Cb 0.29 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2oi6 h LYS 156 CO -0.30 0.84 -0.30 -0.25 -1.08 0.00 0.00 179.45 178.36 2oi6 n ASP 157 N -4.41 0.35 -4.76 0.86 8.00 -0.81 -4.92 116.55 110.86 2oi6 n ASP 157 Ca 0.13 0.11 -0.40 0.00 0.71 0.00 0.00 54.79 55.33 2oi6 n ASP 157 Cb 0.06 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 2oi6 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi6 s ALA 158 N -3.02 3.42 0.78 2.24 0.00 0.14 -4.93 121.76 120.39 2oi6 s ALA 158 Ca 0.12 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 2oi6 s ALA 158 Cb 0.17 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 20.01 2oi6 s ALA 158 CO 0.63 -0.21 1.11 0.95 0.00 0.00 0.00 175.76 178.24 2oi6 s THR 159 N -1.16 3.02 0.45 0.00 -4.23 -1.26 -4.76 115.64 107.70 2oi6 s THR 159 Ca 0.45 0.33 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 2oi6 s THR 159 Cb -0.33 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 70.68 2oi6 s THR 159 CO 0.42 -0.43 1.99 0.44 -0.54 0.00 0.00 174.62 176.50 2oi6 h ASP 160 N -0.99 0.31 -0.15 3.99 5.19 -1.98 0.59 116.42 123.38 2oi6 h ASP 160 Ca -0.47 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 55.75 2oi6 h ASP 160 Cb 1.27 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.74 2oi6 h ASP 160 CO 0.61 0.18 -0.68 -0.08 -3.12 0.00 0.00 179.24 176.15 2oi6 h GLU 161 N 0.34 0.72 0.00 3.56 4.81 -2.02 -3.08 114.58 118.92 2oi6 h GLU 161 Ca 0.26 -0.58 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 2oi6 h GLU 161 Cb 0.58 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2oi6 h GLU 161 CO -0.06 1.19 -0.26 1.96 -0.73 0.00 0.00 179.01 181.11 2oi6 h GLN 162 N 0.42 0.00 0.00 1.92 4.20 -1.50 -1.86 115.11 118.29 2oi6 h GLN 162 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2oi6 h GLN 162 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2oi6 h GLN 162 CO 0.14 0.26 0.00 0.54 -0.67 0.00 0.00 178.83 179.10 2oi6 n ARG 163 N -3.83 0.25 0.19 1.46 1.74 0.05 -1.78 116.66 114.74 2oi6 n ARG 163 Ca -0.02 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 2oi6 n ARG 163 Cb 0.35 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.41 2oi6 n ARG 163 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2oi6 h GLN 164 N 0.00 0.00 -6.60 5.56 1.08 -1.35 -3.46 115.11 110.34 2oi6 h GLN 164 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 2oi6 h GLN 164 Cb 0.18 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.66 2oi6 h GLN 164 CO 0.00 0.00 0.94 0.42 -0.95 0.00 0.00 178.83 179.24 2oi6 s ILE 165 N -3.25 2.49 -1.81 2.54 1.01 -0.73 -4.90 121.20 116.55 2oi6 s ILE 165 Ca 0.05 0.32 0.21 0.00 0.00 0.00 0.00 60.65 61.22 2oi6 s ILE 165 Cb 0.06 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2oi6 s ILE 165 CO 0.70 0.02 1.01 0.00 0.00 0.00 0.00 174.94 176.68 2oi6 n GLN 166 N 4.20 1.25 -2.95 2.79 6.02 -1.26 -4.84 117.38 122.58 2oi6 n GLN 166 Ca 0.15 -0.86 -0.41 0.00 -0.01 0.00 0.00 57.00 55.86 2oi6 n GLN 166 Cb 0.38 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.16 2oi6 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2oi6 s GLU 167 N -2.39 4.17 0.30 -1.09 2.12 -1.26 -1.61 118.70 118.94 2oi6 s GLU 167 Ca 0.16 0.84 0.11 0.00 0.36 0.00 0.00 54.97 56.43 2oi6 s GLU 167 Cb 0.17 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2oi6 s GLU 167 CO 0.56 -0.48 -0.11 0.96 -0.54 0.00 0.00 175.26 175.64 2oi6 s ILE 168 N 2.73 2.57 -0.09 -3.70 -5.25 0.11 -1.79 121.20 115.79 2oi6 s ILE 168 Ca 0.32 -2.22 -0.27 0.00 -0.99 0.00 0.00 60.65 57.49 2oi6 s ILE 168 Cb -0.15 -2.54 -0.02 0.00 2.95 0.00 0.00 42.46 42.70 2oi6 s ILE 168 CO 0.08 -0.32 0.89 0.21 -1.79 0.00 0.00 174.94 174.02 2oi6 s ASN 169 N -3.59 7.15 0.19 4.36 2.47 0.02 -2.50 114.94 123.03 2oi6 s ASN 169 Ca 0.32 1.40 0.26 0.00 0.42 0.00 0.00 52.86 55.25 2oi6 s ASN 169 Cb -0.03 -2.50 0.70 0.00 -1.45 0.00 0.00 41.25 37.97 2oi6 s ASN 169 CO 0.17 -0.33 1.67 0.35 -3.72 0.00 0.00 177.10 175.24 2oi6 n THR 170 N 4.29 0.54 0.00 -5.21 -2.24 -1.03 -4.52 114.28 106.12 2oi6 n THR 170 Ca 0.05 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2oi6 n THR 170 Cb 0.50 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2oi6 n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oi6 n GLY 171 N 1.32 2.86 3.75 3.38 0.00 -1.26 -4.90 105.19 110.33 2oi6 n GLY 171 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2oi6 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi6 s ILE 172 N -2.79 5.21 0.23 -0.61 1.01 -1.26 -4.78 121.20 118.22 2oi6 s ILE 172 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 2oi6 s ILE 172 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2oi6 s ILE 172 CO 0.00 0.40 0.52 -1.48 0.00 0.00 0.00 174.94 174.39 2oi6 s LEU 173 N 0.21 0.18 -0.04 2.97 0.05 -1.17 -1.69 118.68 119.20 2oi6 s LEU 173 Ca 0.22 -0.73 -0.11 0.00 0.05 0.00 0.00 54.13 53.56 2oi6 s LEU 173 Cb -0.14 2.02 0.02 0.00 -2.05 0.00 0.00 46.19 46.03 2oi6 s LEU 173 CO 0.08 -1.14 0.24 -0.51 -0.55 0.00 0.00 176.35 174.48 2oi6 s ILE 174 N -3.95 0.04 0.21 1.48 2.07 -0.42 -0.77 121.20 119.86 2oi6 s ILE 174 Ca 0.16 -0.36 -0.23 0.00 -1.41 0.00 0.00 60.65 58.81 2oi6 s ILE 174 Cb -0.01 -0.47 0.05 0.00 0.13 0.00 0.00 42.46 42.15 2oi6 s ILE 174 CO 0.04 -0.20 0.76 0.00 -1.91 0.00 0.00 174.94 173.64 2oi6 s ALA 175 N -0.79 -1.43 0.40 1.50 0.00 -0.58 -1.56 121.76 119.29 2oi6 s ALA 175 Ca -0.09 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2oi6 s ALA 175 Cb -0.05 0.78 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 2oi6 s ALA 175 CO 0.02 -0.96 1.38 1.21 0.00 0.00 0.00 175.76 177.41 2oi6 s ASN 176 N -2.86 6.25 0.20 0.00 3.84 -1.26 0.83 114.94 121.94 2oi6 s ASN 176 Ca 0.09 2.82 -0.10 0.00 0.21 0.00 0.00 52.86 55.88 2oi6 s ASN 176 Cb -0.04 -2.65 0.21 0.00 -0.55 0.00 0.00 41.25 38.23 2oi6 s ASN 176 CO 0.01 -0.91 1.79 1.23 -2.79 0.00 0.00 177.10 176.43 2oi6 h GLY 177 N 2.73 0.88 0.89 1.21 0.00 -0.62 0.17 103.07 108.33 2oi6 h GLY 177 Ca -0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 2oi6 h GLY 177 CO 0.63 0.12 0.08 0.00 0.00 0.00 0.00 176.54 177.37 2oi6 h ALA 178 N 1.33 0.30 -0.22 3.60 0.00 -1.69 -0.73 119.26 121.85 2oi6 h ALA 178 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2oi6 h ALA 178 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2oi6 h ALA 178 CO -0.19 -0.09 0.14 -0.44 0.00 0.00 0.00 179.25 178.67 2oi6 h ASP 179 N 0.21 0.23 -0.42 0.00 3.32 -1.83 -2.07 116.42 115.86 2oi6 h ASP 179 Ca 0.08 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.20 2oi6 h ASP 179 Cb 0.20 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 2oi6 h ASP 179 CO -0.00 0.17 -0.07 -0.03 -1.72 0.00 0.00 179.24 177.58 2oi6 h MET 180 N 0.28 0.03 -0.75 3.56 4.05 -0.65 -0.95 114.93 120.50 2oi6 h MET 180 Ca 0.08 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2oi6 h MET 180 Cb -0.03 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.71 2oi6 h MET 180 CO -0.02 0.02 0.45 0.87 0.23 0.00 0.00 176.91 178.45 2oi6 h LYS 181 N 0.03 0.80 -0.58 0.39 1.57 -0.96 -0.58 116.57 117.25 2oi6 h LYS 181 Ca 0.21 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2oi6 h LYS 181 Cb 0.31 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2oi6 h LYS 181 CO -0.41 0.53 0.25 0.00 -0.57 0.00 0.00 179.45 179.25 2oi6 h ARG 182 N 0.82 0.85 -0.15 3.15 3.08 -0.51 -2.79 114.38 118.83 2oi6 h ARG 182 Ca 0.33 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 2oi6 h ARG 182 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2oi6 h ARG 182 CO -0.17 0.71 -0.48 -1.49 -1.07 0.00 0.00 179.97 177.47 2oi6 h TRP 183 N 0.79 0.47 -0.55 3.04 6.55 -0.82 -3.09 115.95 122.34 2oi6 h TRP 183 Ca 0.19 -0.15 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 2oi6 h TRP 183 Cb 0.16 -0.10 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 2oi6 h TRP 183 CO 0.00 0.80 0.31 -0.07 -1.05 0.00 0.00 178.44 178.43 2oi6 h LEU 184 N 0.31 0.66 -0.14 -4.49 3.38 -0.88 -1.96 115.31 112.19 2oi6 h LEU 184 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2oi6 h LEU 184 Cb 0.96 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2oi6 h LEU 184 CO 0.08 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.14 2oi6 n ALA 185 N -2.45 1.94 1.12 1.53 0.00 -1.07 -2.56 120.51 119.01 2oi6 n ALA 185 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.58 2oi6 n ALA 185 Cb 0.09 -1.37 0.19 0.00 0.00 0.00 0.00 19.45 18.37 2oi6 n ALA 185 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2oi6 n LYS 186 N -1.76 2.10 -2.30 0.00 5.02 -0.74 -4.98 118.16 115.49 2oi6 n LYS 186 Ca 0.04 -1.64 -0.40 0.00 -2.02 0.00 0.00 58.31 54.29 2oi6 n LYS 186 Cb 0.27 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2oi6 n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oi6 s LEU 187 N -2.03 4.49 0.16 -0.35 1.43 -1.06 -5.06 118.68 116.26 2oi6 s LEU 187 Ca 0.30 2.47 0.05 0.00 -1.03 0.00 0.00 54.13 55.92 2oi6 s LEU 187 Cb 0.20 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2oi6 s LEU 187 CO 0.33 -0.33 -0.11 0.42 0.23 0.00 0.00 176.35 176.88 2oi6 s THR 188 N -1.13 1.31 -0.45 5.49 -4.23 -1.26 -5.08 115.64 110.29 2oi6 s THR 188 Ca 0.47 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2oi6 s THR 188 Cb -0.36 -1.88 0.53 0.00 1.34 0.00 0.00 72.50 72.13 2oi6 s THR 188 CO 0.47 -0.70 1.73 -0.46 -0.54 0.00 0.00 174.62 175.12 2oi6 n ASN 189 N -0.21 4.74 -4.23 3.99 6.94 -1.26 -4.61 115.26 120.63 2oi6 n ASN 189 Ca -0.10 -3.74 -0.43 0.00 -0.02 0.00 0.00 54.58 50.29 2oi6 n ASN 189 Cb 0.60 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 2oi6 n ASN 189 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2oi6 n ASN 190 N -1.01 5.14 -3.07 0.53 5.15 -1.26 -3.94 115.26 116.79 2oi6 n ASN 190 Ca 0.51 -3.03 -0.14 0.00 -0.60 0.00 0.00 54.58 51.32 2oi6 n ASN 190 Cb 1.10 -1.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.78 2oi6 n ASN 190 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2oi6 s ASN 191 N 2.11 0.91 0.65 1.20 2.20 -1.26 -5.02 114.94 115.73 2oi6 s ASN 191 Ca 0.42 -1.50 0.43 0.00 -0.94 0.00 0.00 52.86 51.27 2oi6 s ASN 191 Cb 0.03 0.71 2.34 0.00 -2.00 0.00 0.00 41.25 42.33 2oi6 s ASN 191 CO 0.00 -1.40 2.32 0.00 -2.94 0.00 0.00 177.10 175.08 2oi6 h ALA 192 N 2.06 1.01 -0.00 3.54 0.00 -1.91 -2.60 119.26 121.36 2oi6 h ALA 192 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2oi6 h ALA 192 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2oi6 h ALA 192 CO 0.39 -0.01 -0.33 1.04 0.00 0.00 0.00 179.25 180.34 2oi6 n GLN 193 N -3.02 3.35 -1.93 0.00 6.02 -1.26 -4.99 117.38 115.55 2oi6 n GLN 193 Ca -0.03 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 56.61 2oi6 n GLN 193 Cb 0.08 -0.97 -0.02 0.00 1.02 0.00 0.00 30.24 30.35 2oi6 n GLN 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oi6 n GLY 194 N 1.07 0.40 3.73 1.08 0.00 -0.98 -5.02 105.19 105.47 2oi6 n GLY 194 Ca 0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2oi6 n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oi6 s GLU 195 N -4.08 2.35 -0.48 1.61 2.02 -1.26 -4.86 118.70 114.00 2oi6 s GLU 195 Ca 0.00 -1.58 -0.18 0.00 0.02 0.00 0.00 54.97 53.23 2oi6 s GLU 195 Cb 0.00 -2.15 0.05 0.00 0.10 0.00 0.00 34.13 32.13 2oi6 s GLU 195 CO 0.00 0.09 0.54 0.71 0.02 0.00 0.00 175.26 176.62 2oi6 s TYR 196 N -2.44 3.12 -0.18 1.61 1.51 -0.40 -4.13 117.35 116.42 2oi6 s TYR 196 Ca 0.38 -0.59 -0.27 0.00 -1.01 0.00 0.00 57.07 55.58 2oi6 s TYR 196 Cb -0.02 -3.34 -0.01 0.00 -0.11 0.00 0.00 41.96 38.49 2oi6 s TYR 196 CO 0.23 -0.92 0.90 0.71 -1.11 0.00 0.00 175.55 175.36 2oi6 s TYR 197 N 2.31 3.40 0.43 2.71 4.12 -1.26 -0.35 117.35 128.73 2oi6 s TYR 197 Ca 0.12 1.34 0.27 0.00 0.02 0.00 0.00 57.07 58.82 2oi6 s TYR 197 Cb -0.20 -3.10 1.48 0.00 -1.52 0.00 0.00 41.96 38.62 2oi6 s TYR 197 CO 0.11 -0.31 2.09 0.97 0.02 0.00 0.00 175.55 178.43 2oi6 h ILE 198 N 5.26 0.58 0.00 2.71 6.09 -1.89 -2.63 117.51 127.63 2oi6 h ILE 198 Ca -0.27 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2oi6 h ILE 198 Cb 1.11 1.30 0.00 0.00 0.47 0.00 0.00 36.82 39.71 2oi6 h ILE 198 CO 0.87 0.10 0.00 0.35 -3.07 0.00 0.00 178.15 176.41 2oi6 n THR 199 N -3.69 0.93 0.40 2.19 -2.24 -1.26 -1.84 114.28 108.78 2oi6 n THR 199 Ca -0.02 0.51 0.13 0.00 -2.27 0.00 0.00 64.05 62.40 2oi6 n THR 199 Cb 0.22 -1.48 0.51 0.00 -2.10 0.00 0.00 70.33 67.48 2oi6 n THR 199 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2oi6 h ASP 200 N 0.00 0.00 0.58 3.42 3.45 -1.77 -3.15 116.42 118.95 2oi6 h ASP 200 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 2oi6 h ASP 200 Cb 0.17 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 2oi6 h ASP 200 CO 0.00 0.00 -0.15 0.16 -1.57 0.00 0.00 179.24 177.68 2oi6 h ILE 201 N 0.00 0.53 0.60 0.35 3.07 -1.59 -2.30 117.51 118.16 2oi6 h ILE 201 Ca 0.00 -0.74 -0.03 0.00 1.55 0.00 0.00 64.86 65.64 2oi6 h ILE 201 Cb 0.46 1.50 0.01 0.00 -0.27 0.00 0.00 36.82 38.52 2oi6 h ILE 201 CO 0.00 0.15 -0.29 0.40 -1.05 0.00 0.00 178.15 177.36 2oi6 h ILE 202 N 0.00 0.40 -0.28 0.16 1.08 -1.78 0.30 117.51 117.39 2oi6 h ILE 202 Ca -0.00 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2oi6 h ILE 202 Cb 0.49 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 2oi6 h ILE 202 CO 0.02 0.01 0.13 0.00 -0.69 0.00 0.00 178.15 177.62 2oi6 h ALA 203 N -0.48 1.71 -0.46 1.87 0.00 -1.57 0.04 119.26 120.37 2oi6 h ALA 203 Ca -0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2oi6 h ALA 203 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2oi6 h ALA 203 CO 0.13 0.24 -0.22 -0.07 0.00 0.00 0.00 179.25 179.33 2oi6 h LEU 204 N 0.38 0.98 -0.48 0.00 3.38 -1.02 -1.91 115.31 116.65 2oi6 h LEU 204 Ca 0.10 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2oi6 h LEU 204 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2oi6 h LEU 204 CO -0.01 1.17 -0.07 0.00 0.09 0.00 0.00 178.44 179.62 2oi6 h ALA 205 N 0.85 0.66 -0.72 1.53 0.00 0.31 -2.65 119.26 119.24 2oi6 h ALA 205 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2oi6 h ALA 205 Cb 0.80 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2oi6 h ALA 205 CO 0.07 0.52 0.48 -0.92 0.00 0.00 0.00 179.25 179.40 2oi6 h TYR 206 N 0.75 0.86 -0.02 0.00 3.20 -0.89 -1.44 116.97 119.43 2oi6 h TYR 206 Ca 0.13 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 2oi6 h TYR 206 Cb 0.61 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2oi6 h TYR 206 CO 0.05 0.51 -0.47 1.96 -1.64 0.00 0.00 178.16 178.57 2oi6 h GLN 207 N 0.90 0.04 -0.00 1.82 7.50 -1.02 -1.48 115.11 122.87 2oi6 h GLN 207 Ca 0.28 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.41 2oi6 h GLN 207 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 2oi6 h GLN 207 CO -0.08 0.50 0.00 0.39 -1.50 0.00 0.00 178.83 178.15 2oi6 n GLU 208 N -3.98 1.01 -1.20 1.46 1.02 -0.78 -4.87 120.64 113.30 2oi6 n GLU 208 Ca -0.02 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2oi6 n GLU 208 Cb 0.49 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 2oi6 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oi6 n GLY 209 N 0.74 0.73 3.90 0.62 0.00 -0.56 -5.04 105.19 105.59 2oi6 n GLY 209 Ca 0.11 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2oi6 n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi6 s ARG 210 N -2.52 3.64 0.02 1.61 1.81 -0.61 -5.03 118.95 117.87 2oi6 s ARG 210 Ca 0.00 -0.00 -0.09 0.00 -1.72 0.00 0.00 55.73 53.92 2oi6 s ARG 210 Cb 0.00 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.78 2oi6 s ARG 210 CO 0.00 0.24 0.32 -2.00 -0.68 0.00 0.00 175.30 173.19 2oi6 s GLU 211 N -3.45 3.68 -0.23 3.54 2.12 -1.26 -4.14 118.70 118.96 2oi6 s GLU 211 Ca 0.44 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.85 2oi6 s GLU 211 Cb -0.11 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.24 2oi6 s GLU 211 CO 0.29 0.63 -0.13 0.42 -0.54 0.00 0.00 175.26 175.93 2oi6 s ILE 212 N -1.29 2.34 -0.26 -3.70 1.09 -1.26 -0.97 121.20 117.16 2oi6 s ILE 212 Ca 0.28 -1.22 -0.13 0.00 -1.10 0.00 0.00 60.65 58.49 2oi6 s ILE 212 Cb -0.14 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.03 2oi6 s ILE 212 CO 0.16 0.23 0.26 -0.69 -0.10 0.00 0.00 174.94 174.80 2oi6 s VAL 213 N 1.23 5.27 -0.06 2.92 1.01 0.23 -4.51 120.40 126.49 2oi6 s VAL 213 Ca -0.01 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 2oi6 s VAL 213 Cb -0.17 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2oi6 s VAL 213 CO -0.08 0.24 0.82 0.00 0.00 0.00 0.00 175.10 176.09 2oi6 s ALA 214 N 1.64 3.30 0.09 5.51 0.00 -1.26 -0.31 121.76 130.72 2oi6 s ALA 214 Ca 0.11 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.42 2oi6 s ALA 214 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2oi6 s ALA 214 CO 0.09 -0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.52 2oi6 s VAL 215 N 1.06 2.82 0.10 0.00 1.01 0.45 -4.92 120.40 120.91 2oi6 s VAL 215 Ca 0.43 -1.38 0.09 0.00 0.00 0.00 0.00 61.98 61.11 2oi6 s VAL 215 Cb -0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2oi6 s VAL 215 CO 0.21 0.19 -0.19 -1.00 0.00 0.00 0.00 175.10 174.31 2oi6 s HIS 216 N -1.06 2.51 0.83 5.22 3.76 -1.26 -0.06 115.29 125.25 2oi6 s HIS 216 Ca 0.17 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 54.69 2oi6 s HIS 216 Cb -0.11 -1.37 0.13 0.00 1.11 0.00 0.00 32.58 32.35 2oi6 s HIS 216 CO 0.08 0.34 1.17 -1.25 -0.85 0.00 0.00 174.74 174.24 2oi6 s PRO 217 N -1.93 1.43 0.03 8.40 0.04 -1.26 -5.00 135.00 136.70 2oi6 s PRO 217 Ca 0.17 -0.36 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 2oi6 s PRO 217 Cb -0.10 -2.01 -0.22 0.00 0.04 0.00 0.00 34.50 32.20 2oi6 s PRO 217 CO 0.08 -1.83 1.14 1.96 0.04 0.00 0.00 177.00 178.40 2oi6 h GLN 218 N -1.11 0.50 -5.48 4.56 4.20 -2.00 -3.46 115.11 112.32 2oi6 h GLN 218 Ca -0.44 -0.51 -0.44 0.00 0.06 0.00 0.00 58.65 57.33 2oi6 h GLN 218 Cb 1.28 0.14 -0.21 0.00 0.30 0.00 0.00 27.48 28.98 2oi6 h GLN 218 CO 0.49 1.15 -0.79 1.03 -0.67 0.00 0.00 178.83 180.05 2oi6 s ARG 219 N -3.31 0.87 0.23 1.46 3.00 -1.26 -5.04 118.95 114.90 2oi6 s ARG 219 Ca -0.12 -1.00 -0.07 0.00 0.00 0.00 0.00 55.73 54.54 2oi6 s ARG 219 Cb 0.05 -0.92 0.21 0.00 0.00 0.00 0.00 34.95 34.29 2oi6 s ARG 219 CO 0.85 0.20 1.82 -0.07 0.00 0.00 0.00 175.30 178.10 2oi6 h LEU 220 N 4.23 1.09 -2.15 2.53 3.38 -1.98 -3.00 115.31 119.41 2oi6 h LEU 220 Ca -0.42 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.47 2oi6 h LEU 220 Cb 1.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2oi6 h LEU 220 CO 0.40 0.92 0.17 0.77 0.09 0.00 0.00 178.44 180.79 2oi6 h SER 221 N 1.18 0.00 0.49 -0.43 4.64 -1.97 -1.25 113.55 116.21 2oi6 h SER 221 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2oi6 h SER 221 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2oi6 h SER 221 CO -0.03 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.09 2oi6 n GLU 222 N -4.12 0.32 0.00 4.77 0.28 -1.13 -3.38 120.64 117.38 2oi6 n GLU 222 Ca 0.02 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2oi6 n GLU 222 Cb 0.30 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.67 2oi6 n GLU 222 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2oi6 n VAL 223 N -1.30 0.39 -2.43 3.84 0.24 -0.49 -1.57 118.33 116.99 2oi6 n VAL 223 Ca 0.11 -0.53 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 2oi6 n VAL 223 Cb 0.20 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 2oi6 n VAL 223 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2oi6 s GLU 224 N -0.39 4.58 0.39 7.34 2.02 -1.09 -4.83 118.70 126.71 2oi6 s GLU 224 Ca 0.00 1.84 0.02 0.00 0.02 0.00 0.00 54.97 56.85 2oi6 s GLU 224 Cb 0.00 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 2oi6 s GLU 224 CO 0.00 0.10 0.58 0.20 0.02 0.00 0.00 175.26 176.16 2oi6 s GLY 225 N -0.53 1.50 -0.23 -1.39 0.00 -1.26 -4.50 107.32 100.90 2oi6 s GLY 225 Ca 0.47 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2oi6 s GLY 225 CO 0.40 -1.01 -0.07 0.14 0.00 0.00 0.00 173.10 172.56 2oi6 s VAL 226 N -2.38 1.64 -0.25 1.40 1.01 -0.32 -4.85 120.40 116.64 2oi6 s VAL 226 Ca 0.45 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2oi6 s VAL 226 Cb -0.10 -1.86 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2oi6 s VAL 226 CO 0.35 -0.06 0.25 0.59 0.00 0.00 0.00 175.10 176.23 2oi6 n ASN 227 N 4.64 0.90 -3.77 3.32 3.02 -1.26 -4.87 115.26 117.23 2oi6 n ASN 227 Ca -0.13 -0.53 -0.09 0.00 -0.03 0.00 0.00 54.58 53.80 2oi6 n ASN 227 Cb 0.44 1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 40.63 2oi6 n ASN 227 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2oi6 s ASN 228 N -1.83 0.03 0.42 6.41 2.20 -1.26 -3.47 114.94 117.44 2oi6 s ASN 228 Ca 0.02 -0.98 0.17 0.00 -0.94 0.00 0.00 52.86 51.12 2oi6 s ASN 228 Cb 0.05 0.64 0.95 0.00 -2.00 0.00 0.00 41.25 40.89 2oi6 s ASN 228 CO 0.27 -1.25 1.92 0.03 -2.94 0.00 0.00 177.10 175.13 2oi6 h ARG 229 N 2.17 0.00 -0.13 3.55 2.47 -1.87 -2.19 114.38 118.38 2oi6 h ARG 229 Ca -0.26 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.44 2oi6 h ARG 229 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2oi6 h ARG 229 CO 0.35 0.27 -0.00 1.25 0.56 0.00 0.00 179.97 182.39 2oi6 h LEU 230 N 0.00 0.23 -1.03 3.04 5.85 -1.97 0.47 115.31 121.91 2oi6 h LEU 230 Ca -0.00 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2oi6 h LEU 230 Cb 0.52 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2oi6 h LEU 230 CO 0.03 0.49 0.32 1.56 -0.34 0.00 0.00 178.44 180.50 2oi6 h GLN 231 N -0.03 1.01 -0.21 1.25 4.20 -1.89 -1.58 115.11 117.86 2oi6 h GLN 231 Ca 0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2oi6 h GLN 231 Cb 0.37 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2oi6 h GLN 231 CO 0.01 0.80 0.08 1.25 -0.67 0.00 0.00 178.83 180.29 2oi6 h LEU 232 N 1.00 0.29 -0.58 1.46 5.85 -1.14 -1.53 115.31 120.67 2oi6 h LEU 232 Ca 0.24 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2oi6 h LEU 232 Cb 0.13 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2oi6 h LEU 232 CO -0.03 0.39 0.38 -1.28 -0.34 0.00 0.00 178.44 177.56 2oi6 h SER 233 N 0.18 0.67 -0.65 1.25 0.87 -0.65 -0.30 113.55 114.91 2oi6 h SER 233 Ca 0.07 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2oi6 h SER 233 Cb 0.20 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2oi6 h SER 233 CO -0.00 0.49 0.25 0.03 -0.53 0.00 0.00 176.83 177.06 2oi6 h ARG 234 N 0.78 1.02 -0.50 2.24 3.08 -1.19 -1.72 114.38 118.09 2oi6 h ARG 234 Ca 0.21 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2oi6 h ARG 234 Cb -0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2oi6 h ARG 234 CO -0.04 0.85 -0.01 1.25 -1.07 0.00 0.00 179.97 180.94 2oi6 h LEU 235 N 0.99 0.87 -0.18 3.04 6.46 -0.73 -0.50 115.31 125.27 2oi6 h LEU 235 Ca 0.23 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2oi6 h LEU 235 Cb 0.23 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2oi6 h LEU 235 CO -0.02 0.97 -0.01 -0.08 -0.62 0.00 0.00 178.44 178.68 2oi6 h GLU 236 N 0.75 0.04 -0.33 1.25 4.57 -0.84 -0.00 114.58 120.02 2oi6 h GLU 236 Ca 0.14 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 2oi6 h GLU 236 Cb 0.53 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 2oi6 h GLU 236 CO 0.03 0.02 0.18 0.00 -1.18 0.00 0.00 179.01 178.06 2oi6 h ARG 237 N 0.04 0.36 -0.47 1.92 2.47 -0.92 0.22 114.38 118.00 2oi6 h ARG 237 Ca 0.08 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2oi6 h ARG 237 Cb 0.11 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 2oi6 h ARG 237 CO -0.15 0.24 0.28 0.28 0.56 0.00 0.00 179.97 181.17 2oi6 h VAL 238 N 0.37 1.15 -0.73 2.04 2.07 -0.93 -0.98 116.25 119.24 2oi6 h VAL 238 Ca 0.13 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2oi6 h VAL 238 Cb 0.03 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2oi6 h VAL 238 CO -0.08 0.15 0.33 0.22 0.02 0.00 0.00 177.57 178.21 2oi6 h TYR 239 N 0.63 1.07 -0.45 1.57 3.20 -0.50 -0.80 116.97 121.69 2oi6 h TYR 239 Ca 0.17 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2oi6 h TYR 239 Cb 0.00 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 2oi6 h TYR 239 CO -0.03 0.80 -0.02 1.96 -1.64 0.00 0.00 178.16 179.23 2oi6 h GLN 240 N 1.03 0.75 -0.55 1.82 1.08 -0.32 -1.23 115.11 117.68 2oi6 h GLN 240 Ca 0.25 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2oi6 h GLN 240 Cb 0.16 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2oi6 h GLN 240 CO -0.03 0.77 0.07 0.77 -0.95 0.00 0.00 178.83 179.47 2oi6 h SER 241 N 0.70 0.88 -0.55 1.46 0.02 -0.48 0.21 113.55 115.79 2oi6 h SER 241 Ca 0.13 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 2oi6 h SER 241 Cb 0.46 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2oi6 h SER 241 CO 0.02 0.93 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.25 2oi6 h GLU 242 N 0.80 1.02 -0.52 3.45 5.08 -0.95 0.70 114.58 124.16 2oi6 h GLU 242 Ca 0.16 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2oi6 h GLU 242 Cb 0.44 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2oi6 h GLU 242 CO 0.01 1.04 0.00 1.96 -1.00 0.00 0.00 179.01 181.03 2oi6 h GLN 243 N 0.90 0.91 -0.44 2.33 4.20 -1.00 -1.36 115.11 120.66 2oi6 h GLN 243 Ca 0.15 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 2oi6 h GLN 243 Cb 0.62 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2oi6 h GLN 243 CO 0.04 0.94 0.16 0.00 -0.67 0.00 0.00 178.83 179.30 2oi6 h ALA 244 N 0.95 0.58 -0.71 3.87 0.00 -0.37 -1.54 119.26 122.03 2oi6 h ALA 244 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2oi6 h ALA 244 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2oi6 h ALA 244 CO 0.03 0.20 0.39 0.93 0.00 0.00 0.00 179.25 180.79 2oi6 h GLU 245 N 0.57 0.99 -0.64 0.00 5.08 -0.69 -1.16 114.58 118.73 2oi6 h GLU 245 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2oi6 h GLU 245 Cb 0.22 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2oi6 h GLU 245 CO -0.01 0.74 0.41 0.87 -1.00 0.00 0.00 179.01 180.02 2oi6 h LYS 246 N 0.98 0.85 -0.67 2.33 1.57 -1.02 0.10 116.57 120.72 2oi6 h LYS 246 Ca 0.25 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2oi6 h LYS 246 Cb 0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2oi6 h LYS 246 CO -0.04 0.58 0.41 -0.07 -0.57 0.00 0.00 179.45 179.76 2oi6 h LEU 247 N 0.87 0.80 -0.31 2.94 3.38 -0.69 -0.97 115.31 121.32 2oi6 h LEU 247 Ca 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2oi6 h LEU 247 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2oi6 h LEU 247 CO -0.05 0.62 0.11 -0.07 0.09 0.00 0.00 178.44 179.14 2oi6 h LEU 248 N 0.90 0.45 -1.57 1.67 3.38 -0.94 -0.04 115.31 119.16 2oi6 h LEU 248 Ca 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2oi6 h LEU 248 Cb -0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2oi6 h LEU 248 CO -0.05 0.52 0.11 -0.07 0.09 0.00 0.00 178.44 179.04 2oi6 h LEU 249 N 0.35 0.35 0.00 1.67 3.38 -0.65 -0.70 115.31 119.71 2oi6 h LEU 249 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2oi6 h LEU 249 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2oi6 h LEU 249 CO -0.01 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.85 2oi6 n ALA 250 N -2.49 2.49 0.00 1.53 0.00 -0.40 -4.89 120.51 116.75 2oi6 n ALA 250 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2oi6 n ALA 250 Cb 0.13 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2oi6 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 251 N 0.87 1.08 3.65 0.00 0.00 -0.27 -5.05 105.19 105.48 2oi6 n GLY 251 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2oi6 n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oi6 s VAL 252 N -2.00 5.25 -0.72 1.61 1.01 -0.09 -4.16 120.40 121.29 2oi6 s VAL 252 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.22 2oi6 s VAL 252 Cb 0.00 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2oi6 s VAL 252 CO 0.00 0.27 1.16 -0.32 0.00 0.00 0.00 175.10 176.21 2oi6 s MET 253 N 1.35 3.18 -0.23 2.72 1.75 -0.69 -3.70 119.30 123.68 2oi6 s MET 253 Ca 0.14 -0.54 -0.16 0.00 -1.25 0.00 0.00 55.69 53.88 2oi6 s MET 253 Cb -0.14 -4.26 -0.04 0.00 2.84 0.00 0.00 34.83 33.23 2oi6 s MET 253 CO 0.07 -2.02 0.43 -0.51 -0.65 0.00 0.00 175.02 172.34 2oi6 s LEU 254 N 5.00 4.10 0.63 4.11 1.43 -1.26 -1.09 118.68 131.60 2oi6 s LEU 254 Ca 0.30 0.46 0.37 0.00 -1.03 0.00 0.00 54.13 54.24 2oi6 s LEU 254 Cb -0.11 -2.54 2.11 0.00 0.03 0.00 0.00 46.19 45.68 2oi6 s LEU 254 CO 0.12 -0.16 2.30 0.03 0.23 0.00 0.00 176.35 178.87 2oi6 h ARG 255 N 7.75 0.00 -1.20 1.70 -0.00 -1.32 -3.38 114.38 117.92 2oi6 h ARG 255 Ca -0.33 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.14 2oi6 h ARG 255 Cb 1.16 0.00 -0.23 0.00 0.00 0.00 0.00 29.97 30.90 2oi6 h ARG 255 CO 0.70 0.00 -0.39 0.34 0.00 0.00 0.00 179.97 180.62 2oi6 s ASP 256 N -5.65 -1.05 0.48 7.04 -1.08 -1.26 -4.88 116.67 110.28 2oi6 s ASP 256 Ca -0.05 0.25 0.22 0.00 -0.52 0.00 0.00 52.55 52.45 2oi6 s ASP 256 Cb 0.14 1.82 1.25 0.00 -1.46 0.00 0.00 42.92 44.67 2oi6 s ASP 256 CO 0.48 -0.30 1.93 -0.65 0.52 0.00 0.00 175.17 177.15 2oi6 h PRO 257 N 8.04 0.19 0.00 4.34 0.11 -1.97 -0.34 132.00 142.37 2oi6 h PRO 257 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2oi6 h PRO 257 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2oi6 h PRO 257 CO 0.21 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 2oi6 n ALA 258 N -2.60 2.05 -2.92 -0.75 0.00 -1.26 -3.88 120.51 111.16 2oi6 n ALA 258 Ca 0.14 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2oi6 n ALA 258 Cb 0.66 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 2oi6 n ALA 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oi6 n ARG 259 N -1.82 2.70 -3.75 0.00 1.74 -0.14 -5.01 116.66 110.38 2oi6 n ARG 259 Ca 0.05 -4.43 -0.12 0.00 -0.77 0.00 0.00 57.85 52.57 2oi6 n ARG 259 Cb 0.31 -2.08 -0.12 0.00 -1.02 0.00 0.00 32.46 29.55 2oi6 n ARG 259 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2oi6 s PHE 260 N -3.25 -0.37 -0.03 -1.55 5.36 -1.25 -0.36 117.98 116.53 2oi6 s PHE 260 Ca 0.46 0.87 0.02 0.00 -0.96 0.00 0.00 56.93 57.31 2oi6 s PHE 260 Cb 0.32 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 2oi6 s PHE 260 CO -0.13 -0.21 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.86 2oi6 s ASP 261 N 0.64 1.01 -0.19 6.13 1.11 -0.95 -4.92 116.67 119.51 2oi6 s ASP 261 Ca -0.04 -0.15 0.00 0.00 0.18 0.00 0.00 52.55 52.54 2oi6 s ASP 261 Cb -0.05 -0.39 0.02 0.00 1.07 0.00 0.00 42.92 43.57 2oi6 s ASP 261 CO -0.04 0.00 -0.17 -0.22 1.18 0.00 0.00 175.17 175.92 2oi6 s LEU 262 N 0.55 2.26 -0.59 1.23 2.96 -1.26 -0.41 118.68 123.41 2oi6 s LEU 262 Ca -0.08 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.28 2oi6 s LEU 262 Cb -0.11 -1.52 0.22 0.00 0.50 0.00 0.00 46.19 45.27 2oi6 s LEU 262 CO 0.00 -0.00 0.59 0.54 -1.32 0.00 0.00 176.35 176.16 2oi6 n ARG 263 N 4.65 1.74 0.00 1.98 1.74 0.33 -4.86 116.66 122.24 2oi6 n ARG 263 Ca -0.21 -4.20 0.00 0.00 -0.77 0.00 0.00 57.85 52.67 2oi6 n ARG 263 Cb 0.50 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2oi6 n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oi6 n GLY 264 N 1.52 0.24 3.19 -0.13 0.00 -1.25 -0.73 105.19 108.03 2oi6 n GLY 264 Ca 0.25 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 2oi6 n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi6 s THR 265 N -3.63 1.59 -0.16 2.61 2.01 -0.25 -4.94 115.64 112.87 2oi6 s THR 265 Ca 0.00 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2oi6 s THR 265 Cb 0.00 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.20 2oi6 s THR 265 CO 0.00 0.45 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.02 2oi6 s LEU 266 N -0.26 1.86 -0.14 4.42 2.96 -1.26 -1.11 118.68 125.15 2oi6 s LEU 266 Ca 0.02 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2oi6 s LEU 266 Cb -0.10 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2oi6 s LEU 266 CO 0.01 -0.06 0.04 -0.89 -1.32 0.00 0.00 176.35 174.13 2oi6 s THR 267 N 1.44 4.66 0.04 3.68 2.01 0.10 -5.00 115.64 122.57 2oi6 s THR 267 Ca 0.04 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 2oi6 s THR 267 Cb -0.13 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 2oi6 s THR 267 CO -0.11 0.53 0.07 -1.38 -0.69 0.00 0.00 174.62 173.04 2oi6 s HIS 268 N -0.18 0.24 0.00 4.92 -3.43 -1.26 0.23 115.29 115.82 2oi6 s HIS 268 Ca 0.07 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2oi6 s HIS 268 Cb -0.12 -0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 2oi6 s HIS 268 CO 0.02 -0.36 0.00 0.41 -2.00 0.00 0.00 174.74 172.81 2oi6 n GLY 269 N 0.72 1.42 3.88 -1.38 0.00 -0.36 -4.96 105.19 104.52 2oi6 n GLY 269 Ca -0.19 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2oi6 n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi6 s ARG 270 N 2.49 3.74 -1.49 1.61 1.81 -1.26 -4.45 118.95 121.39 2oi6 s ARG 270 Ca 0.00 0.14 -0.06 0.00 -1.72 0.00 0.00 55.73 54.09 2oi6 s ARG 270 Cb 0.00 -2.79 0.01 0.00 -0.45 0.00 0.00 34.95 31.72 2oi6 s ARG 270 CO 0.00 0.42 0.79 -0.25 -0.68 0.00 0.00 175.30 175.57 2oi6 n ASP 271 N 0.16 -6.21 -4.75 0.23 8.00 -1.26 -0.22 116.55 112.50 2oi6 n ASP 271 Ca -0.02 -0.36 -0.40 0.00 0.71 0.00 0.00 54.79 54.71 2oi6 n ASP 271 Cb 0.52 -4.96 -0.05 0.00 -0.02 0.00 0.00 41.12 36.61 2oi6 n ASP 271 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi6 s VAL 272 N -3.22 3.90 -0.14 2.53 1.01 -1.26 -3.62 120.40 119.60 2oi6 s VAL 272 Ca 0.39 1.85 0.03 0.00 0.00 0.00 0.00 61.98 64.24 2oi6 s VAL 272 Cb -0.17 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.04 2oi6 s VAL 272 CO 0.48 0.41 -0.22 -1.61 0.00 0.00 0.00 175.10 174.17 2oi6 s GLU 273 N -1.07 3.03 -0.18 2.72 2.02 -0.43 -1.70 118.70 123.10 2oi6 s GLU 273 Ca 0.44 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2oi6 s GLU 273 Cb -0.28 -2.43 0.04 0.00 0.10 0.00 0.00 34.13 31.56 2oi6 s GLU 273 CO 0.35 0.01 -0.08 0.42 0.02 0.00 0.00 175.26 175.97 2oi6 s ILE 274 N 0.77 1.38 0.44 -1.63 1.01 -0.25 -0.50 121.20 122.42 2oi6 s ILE 274 Ca -0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 2oi6 s ILE 274 Cb -0.16 -1.50 0.10 0.00 0.01 0.00 0.00 42.46 40.92 2oi6 s ILE 274 CO -0.01 0.17 0.53 -0.67 0.00 0.00 0.00 174.94 174.96 2oi6 n ASP 275 N 4.78 -0.35 -4.73 3.58 -0.08 0.09 -0.99 116.55 118.85 2oi6 n ASP 275 Ca -0.13 -1.09 -0.34 0.00 -1.51 0.00 0.00 54.79 51.71 2oi6 n ASP 275 Cb 0.47 -0.42 0.09 0.00 2.34 0.00 0.00 41.12 43.59 2oi6 n ASP 275 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2oi6 s THR 276 N -2.11 2.40 -1.45 5.18 -4.23 -1.26 -3.90 115.64 110.27 2oi6 s THR 276 Ca 0.31 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2oi6 s THR 276 Cb -0.01 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 71.08 2oi6 s THR 276 CO 0.22 -0.10 0.69 0.59 -0.54 0.00 0.00 174.62 175.48 2oi6 n ASN 277 N -2.62 -5.25 -4.86 3.99 3.02 0.52 -1.13 115.26 108.93 2oi6 n ASN 277 Ca 0.13 -0.42 -0.35 0.00 -0.03 0.00 0.00 54.58 53.92 2oi6 n ASN 277 Cb 0.50 -4.24 -0.06 0.00 -0.61 0.00 0.00 39.78 35.38 2oi6 n ASN 277 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi6 s VAL 278 N -3.14 4.98 -0.13 2.41 1.01 -1.23 -3.33 120.40 120.97 2oi6 s VAL 278 Ca 0.42 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.02 2oi6 s VAL 278 Cb -0.20 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2oi6 s VAL 278 CO 0.51 0.24 -0.19 -0.63 0.00 0.00 0.00 175.10 175.04 2oi6 s ILE 279 N -1.46 1.79 -0.18 2.22 1.01 -0.22 -2.24 121.20 122.13 2oi6 s ILE 279 Ca 0.36 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 2oi6 s ILE 279 Cb -0.14 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2oi6 s ILE 279 CO 0.19 0.50 -0.05 -0.63 0.00 0.00 0.00 174.94 174.95 2oi6 s ILE 280 N 0.94 3.60 0.05 2.92 -1.09 0.45 -1.05 121.20 127.02 2oi6 s ILE 280 Ca -0.06 -0.44 0.08 0.00 -2.23 0.00 0.00 60.65 58.00 2oi6 s ILE 280 Cb -0.15 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 2oi6 s ILE 280 CO -0.03 0.46 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.32 2oi6 s GLU 281 N 0.84 1.39 3.74 2.79 2.02 0.63 -0.51 118.70 129.59 2oi6 s GLU 281 Ca -0.01 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 53.99 2oi6 s GLU 281 Cb -0.15 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.56 2oi6 s GLU 281 CO 0.01 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.09 2oi6 n GLY 282 N 1.74 0.56 3.54 -1.39 0.00 0.09 -1.46 105.19 108.26 2oi6 n GLY 282 Ca -0.17 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2oi6 n GLY 282 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oi6 s ASN 283 N -4.00 6.13 -0.03 1.61 0.01 -1.26 -1.09 114.94 116.31 2oi6 s ASN 283 Ca 0.00 -0.32 0.06 0.00 -0.71 0.00 0.00 52.86 51.89 2oi6 s ASN 283 Cb 0.00 -2.17 -0.01 0.00 0.41 0.00 0.00 41.25 39.47 2oi6 s ASN 283 CO 0.00 -0.30 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.38 2oi6 s VAL 284 N 1.90 1.71 -0.12 1.60 1.01 -0.26 -2.84 120.40 123.39 2oi6 s VAL 284 Ca 0.09 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2oi6 s VAL 284 Cb -0.17 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2oi6 s VAL 284 CO 0.11 0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 2oi6 s THR 285 N -0.30 2.48 -0.11 3.92 2.01 -0.63 -0.72 115.64 122.28 2oi6 s THR 285 Ca 0.03 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.19 2oi6 s THR 285 Cb -0.10 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.42 2oi6 s THR 285 CO 0.01 0.54 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.51 2oi6 s LEU 286 N 0.41 2.03 0.00 4.42 1.43 0.14 -0.94 118.68 126.16 2oi6 s LEU 286 Ca -0.14 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2oi6 s LEU 286 Cb -0.17 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2oi6 s LEU 286 CO 0.06 0.10 0.02 0.61 0.23 0.00 0.00 176.35 177.38 2oi6 n GLY 287 N 3.83 -1.88 3.77 -3.19 0.00 0.80 -1.23 105.19 107.30 2oi6 n GLY 287 Ca -0.20 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 2oi6 n GLY 287 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oi6 s HIS 288 N -1.05 2.92 -1.58 1.61 0.09 -1.26 -3.57 115.29 112.45 2oi6 s HIS 288 Ca 0.01 1.51 0.00 0.00 -0.00 0.00 0.00 55.06 56.58 2oi6 s HIS 288 Cb -0.00 -3.48 0.00 0.00 -0.00 0.00 0.00 32.58 29.10 2oi6 s HIS 288 CO 0.01 -1.64 0.00 0.54 -0.00 0.00 0.00 174.74 173.65 2oi6 n ARG 289 N -0.12 -1.74 -2.43 1.40 1.74 0.69 -0.56 116.66 115.64 2oi6 n ARG 289 Ca 0.05 0.89 -0.41 0.00 -0.77 0.00 0.00 57.85 57.61 2oi6 n ARG 289 Cb 0.46 -5.42 -0.04 0.00 -1.02 0.00 0.00 32.46 26.45 2oi6 n ARG 289 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2oi6 s VAL 290 N -2.71 3.67 -0.14 1.55 1.01 -1.24 -4.01 120.40 118.54 2oi6 s VAL 290 Ca 0.00 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.43 2oi6 s VAL 290 Cb 0.00 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2oi6 s VAL 290 CO 0.00 0.25 -0.17 -0.54 0.00 0.00 0.00 175.10 174.64 2oi6 s LYS 291 N -0.39 3.22 -0.20 2.72 1.02 -0.32 -1.31 119.74 124.49 2oi6 s LYS 291 Ca 0.51 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2oi6 s LYS 291 Cb -0.31 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2oi6 s LYS 291 CO 0.36 0.10 -0.16 0.42 -0.92 0.00 0.00 175.35 175.15 2oi6 s ILE 292 N 0.60 2.28 0.94 2.17 1.01 0.34 -0.72 121.20 127.82 2oi6 s ILE 292 Ca -0.10 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.45 2oi6 s ILE 292 Cb -0.16 -2.03 0.16 0.00 0.01 0.00 0.00 42.46 40.44 2oi6 s ILE 292 CO 0.03 0.44 1.15 -0.83 0.00 0.00 0.00 174.94 175.73 2oi6 s GLY 293 N 1.29 1.59 0.46 6.18 0.00 0.18 -0.73 107.32 116.29 2oi6 s GLY 293 Ca 0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 43.91 2oi6 s GLY 293 CO -0.10 0.00 1.26 -0.37 0.00 0.00 0.00 173.10 173.89 2oi6 n THR 294 N -3.86 2.88 -0.91 0.90 5.66 -1.26 -3.53 114.28 114.16 2oi6 n THR 294 Ca 0.08 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2oi6 n THR 294 Cb 0.59 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.82 2oi6 n THR 294 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2oi6 n GLY 295 N 0.84 0.72 3.77 1.09 0.00 -0.28 -0.65 105.19 110.69 2oi6 n GLY 295 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2oi6 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s VAL 297 N -1.76 1.67 -0.12 0.00 1.01 -0.67 -1.05 120.40 119.48 2oi6 s VAL 297 Ca 0.72 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2oi6 s VAL 297 Cb -0.24 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2oi6 s VAL 297 CO 0.27 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 175.04 2oi6 s ILE 298 N 1.44 1.54 -0.04 2.22 1.01 -0.22 -0.70 121.20 126.46 2oi6 s ILE 298 Ca 0.05 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2oi6 s ILE 298 Cb -0.13 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 2oi6 s ILE 298 CO -0.11 0.45 -0.15 -0.75 0.00 0.00 0.00 174.94 174.38 2oi6 s LYS 299 N 1.06 1.54 -0.85 2.79 2.20 0.63 -0.27 119.74 126.84 2oi6 s LYS 299 Ca -0.05 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 54.88 2oi6 s LYS 299 Cb -0.15 -1.36 0.02 0.00 -1.51 0.00 0.00 37.83 34.84 2oi6 s LYS 299 CO -0.03 0.20 0.52 0.09 -0.36 0.00 0.00 175.35 175.77 2oi6 n ASN 300 N 3.20 -3.54 -4.04 1.43 3.02 -0.54 -1.34 115.26 113.45 2oi6 n ASN 300 Ca -0.18 -0.95 -0.08 0.00 -0.03 0.00 0.00 54.58 53.34 2oi6 n ASN 300 Cb 0.53 -1.28 -0.09 0.00 -0.61 0.00 0.00 39.78 38.33 2oi6 n ASN 300 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2oi6 s SER 301 N -3.38 0.39 -0.15 6.41 0.01 -1.13 -1.77 113.70 114.08 2oi6 s SER 301 Ca 0.23 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.59 2oi6 s SER 301 Cb -0.13 0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2oi6 s SER 301 CO 0.76 -0.64 -0.21 -0.69 0.41 0.00 0.00 173.24 172.87 2oi6 s VAL 302 N -3.91 2.04 -0.20 3.43 1.01 -0.77 -1.61 120.40 120.38 2oi6 s VAL 302 Ca 0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2oi6 s VAL 302 Cb 0.07 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2oi6 s VAL 302 CO -0.10 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.77 2oi6 s ILE 303 N 0.96 2.43 1.02 2.22 -1.09 -0.12 -0.82 121.20 125.81 2oi6 s ILE 303 Ca -0.03 -0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 57.31 2oi6 s ILE 303 Cb -0.15 -2.10 0.20 0.00 -1.58 0.00 0.00 42.46 38.83 2oi6 s ILE 303 CO -0.05 0.42 1.16 -0.83 -1.23 0.00 0.00 174.94 174.41 2oi6 s GLY 304 N 1.31 1.62 0.58 6.18 0.00 0.85 -0.14 107.32 117.73 2oi6 s GLY 304 Ca 0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 44.72 43.79 2oi6 s GLY 304 CO -0.09 -0.06 1.00 1.22 0.00 0.00 0.00 173.10 175.16 2oi6 n ASP 305 N -4.13 0.97 -0.41 1.64 8.00 -1.26 -2.69 116.55 118.67 2oi6 n ASP 305 Ca 0.10 0.84 -0.05 0.00 0.71 0.00 0.00 54.79 56.39 2oi6 n ASP 305 Cb 0.59 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.27 2oi6 n ASP 305 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2oi6 n ASP 306 N -0.71 -5.34 -4.78 -2.24 9.92 0.28 -0.63 116.55 113.05 2oi6 n ASP 306 Ca 0.13 0.12 -0.34 0.00 -0.53 0.00 0.00 54.79 54.18 2oi6 n ASP 306 Cb 0.46 -3.56 0.02 0.00 -0.64 0.00 0.00 41.12 37.40 2oi6 n ASP 306 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2oi6 s GLU 308 N -3.66 1.56 -0.40 0.00 2.02 -0.38 -1.17 118.70 116.68 2oi6 s GLU 308 Ca 0.69 -0.46 -0.10 0.00 0.02 0.00 0.00 54.97 55.12 2oi6 s GLU 308 Cb -0.21 -1.91 0.05 0.00 0.10 0.00 0.00 34.13 32.16 2oi6 s GLU 308 CO 0.33 -0.37 0.23 0.42 0.02 0.00 0.00 175.26 175.89 2oi6 s ILE 309 N 1.63 4.42 0.88 -1.63 -1.09 0.10 -1.66 121.20 123.86 2oi6 s ILE 309 Ca 0.02 -1.12 -0.12 0.00 -2.23 0.00 0.00 60.65 57.21 2oi6 s ILE 309 Cb -0.14 -3.58 0.12 0.00 -1.58 0.00 0.00 42.46 37.27 2oi6 s ILE 309 CO -0.08 -0.37 1.11 -0.44 -1.23 0.00 0.00 174.94 173.93 2oi6 s SER 310 N 1.84 3.75 0.43 3.58 0.01 0.34 0.49 113.70 124.13 2oi6 s SER 310 Ca 0.02 1.19 -0.22 0.00 1.31 0.00 0.00 55.95 58.25 2oi6 s SER 310 Cb -0.21 -1.85 -0.12 0.00 0.21 0.00 0.00 66.02 64.04 2oi6 s SER 310 CO 0.05 -2.43 0.55 -2.65 0.41 0.00 0.00 173.24 169.17 2oi6 n PRO 311 N -3.71 0.59 -3.68 12.44 -0.02 -1.26 -3.83 135.00 135.52 2oi6 n PRO 311 Ca 0.07 0.21 -0.21 0.00 -2.02 0.00 0.00 63.50 61.55 2oi6 n PRO 311 Cb 0.57 -1.53 0.04 0.00 -0.02 0.00 0.00 33.50 32.56 2oi6 n PRO 311 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oi6 n TYR 312 N -0.89 -1.95 -5.04 6.00 4.02 0.18 -2.06 117.16 117.43 2oi6 n TYR 312 Ca 0.11 0.85 -0.32 0.00 -0.01 0.00 0.00 57.90 58.53 2oi6 n TYR 312 Cb 0.40 -4.44 -0.15 0.00 -0.02 0.00 0.00 39.34 35.13 2oi6 n TYR 312 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2oi6 s THR 313 N -3.63 2.64 -0.12 -0.72 2.01 -1.25 -2.18 115.64 112.38 2oi6 s THR 313 Ca 0.02 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2oi6 s THR 313 Cb -0.01 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2oi6 s THR 313 CO 0.81 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.44 2oi6 s VAL 314 N -0.41 2.60 -0.04 3.82 1.01 -0.40 -1.66 120.40 125.32 2oi6 s VAL 314 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2oi6 s VAL 314 Cb -0.12 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2oi6 s VAL 314 CO 0.02 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 2oi6 s VAL 315 N 0.43 0.60 -0.02 2.92 1.01 0.13 -0.59 120.40 124.89 2oi6 s VAL 315 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2oi6 s VAL 315 Cb -0.17 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2oi6 s VAL 315 CO 0.06 0.24 0.02 -0.70 0.00 0.00 0.00 175.10 174.71 2oi6 s GLU 316 N 0.82 0.02 -1.62 2.72 2.12 -0.67 -0.27 118.70 121.82 2oi6 s GLU 316 Ca -0.12 0.13 -0.15 0.00 0.36 0.00 0.00 54.97 55.20 2oi6 s GLU 316 Cb -0.14 -0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.13 2oi6 s GLU 316 CO 0.01 -0.13 0.81 -0.25 -0.54 0.00 0.00 175.26 175.16 2oi6 n ASP 317 N 3.96 -3.45 -4.83 -1.70 8.00 -0.45 -2.52 116.55 115.56 2oi6 n ASP 317 Ca -0.25 -0.94 -0.22 0.00 0.71 0.00 0.00 54.79 54.09 2oi6 n ASP 317 Cb 0.52 -3.14 -0.04 0.00 -0.02 0.00 0.00 41.12 38.44 2oi6 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi6 s ALA 318 N -3.36 3.60 -0.16 2.24 0.00 -1.25 -1.80 121.76 121.03 2oi6 s ALA 318 Ca 0.64 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2oi6 s ALA 318 Cb -0.34 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.51 2oi6 s ALA 318 CO 0.89 0.25 0.01 1.21 0.00 0.00 0.00 175.76 178.12 2oi6 s ASN 319 N -3.84 2.57 -0.19 0.00 3.84 -0.10 -1.85 114.94 115.36 2oi6 s ASN 319 Ca 0.33 -0.61 -0.04 0.00 0.21 0.00 0.00 52.86 52.76 2oi6 s ASN 319 Cb -0.08 -0.63 -0.02 0.00 -0.55 0.00 0.00 41.25 39.97 2oi6 s ASN 319 CO 0.25 -0.25 -0.05 -0.76 -2.79 0.00 0.00 177.10 173.51 2oi6 s LEU 320 N 1.83 3.01 0.00 3.21 1.02 0.00 -0.52 118.68 127.23 2oi6 s LEU 320 Ca 0.01 -0.29 -0.11 0.00 0.02 0.00 0.00 54.13 53.76 2oi6 s LEU 320 Cb -0.15 -1.75 0.16 0.00 0.02 0.00 0.00 46.19 44.47 2oi6 s LEU 320 CO -0.07 0.06 0.66 0.00 0.02 0.00 0.00 176.35 177.02 2oi6 n ALA 321 N 4.24 -1.62 -1.47 4.21 0.00 -0.41 -0.10 120.51 125.36 2oi6 n ALA 321 Ca -0.18 -0.94 -0.35 0.00 0.00 0.00 0.00 53.44 51.97 2oi6 n ALA 321 Cb 0.52 -0.06 0.09 0.00 0.00 0.00 0.00 19.45 19.99 2oi6 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 s ALA 322 N -3.29 2.19 -1.99 0.00 0.00 -1.26 -3.81 121.76 113.59 2oi6 s ALA 322 Ca 0.41 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2oi6 s ALA 322 Cb -0.03 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2oi6 s ALA 322 CO 0.31 -1.79 0.00 0.00 0.00 0.00 0.00 175.76 174.27 2oi6 n ALA 323 N -2.46 -0.35 -2.04 0.00 0.00 0.20 -1.85 120.51 114.01 2oi6 n ALA 323 Ca 0.14 0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 2oi6 n ALA 323 Cb 0.50 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.93 2oi6 n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 s THR 325 N -2.43 0.73 0.06 0.00 -4.23 -0.67 -1.24 115.64 107.85 2oi6 s THR 325 Ca 0.55 -0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.92 2oi6 s THR 325 Cb -0.10 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 2oi6 s THR 325 CO 0.30 0.29 -0.10 0.27 -0.54 0.00 0.00 174.62 174.83 2oi6 s ILE 326 N 1.28 0.79 0.00 2.99 -4.36 -0.66 -0.99 121.20 120.26 2oi6 s ILE 326 Ca -0.04 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2oi6 s ILE 326 Cb -0.14 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.74 2oi6 s ILE 326 CO -0.02 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.44 2oi6 n GLY 327 N 1.34 -1.98 3.78 6.27 0.00 0.26 -0.51 105.19 114.36 2oi6 n GLY 327 Ca -0.22 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 2oi6 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oi6 s PRO 328 N -0.01 1.93 -1.12 1.61 0.04 -1.26 -4.34 135.00 131.84 2oi6 s PRO 328 Ca 0.00 0.72 -0.05 0.00 0.04 0.00 0.00 61.00 61.70 2oi6 s PRO 328 Cb 0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2oi6 s PRO 328 CO 0.00 -1.75 0.97 1.19 0.04 0.00 0.00 177.00 177.45 2oi6 n PHE 329 N -3.53 -2.30 -4.02 0.56 3.72 -0.87 -3.62 117.46 107.39 2oi6 n PHE 329 Ca 0.07 0.85 -0.25 0.00 -0.05 0.00 0.00 57.45 58.07 2oi6 n PHE 329 Cb 0.56 -4.52 -0.04 0.00 -0.94 0.00 0.00 39.48 34.54 2oi6 n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oi6 s ALA 330 N -3.28 3.76 -0.20 4.37 0.00 -1.25 -0.11 121.76 125.04 2oi6 s ALA 330 Ca 0.35 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 2oi6 s ALA 330 Cb -0.16 -1.55 0.07 0.00 0.00 0.00 0.00 23.12 21.48 2oi6 s ALA 330 CO 0.62 0.45 0.07 0.50 0.00 0.00 0.00 175.76 177.40 2oi6 s ARG 331 N -3.37 0.39 -0.18 0.00 3.00 -0.30 -1.27 118.95 117.21 2oi6 s ARG 331 Ca 0.33 -0.35 -0.05 0.00 -1.00 0.00 0.00 55.73 54.66 2oi6 s ARG 331 Cb -0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 34.95 32.91 2oi6 s ARG 331 CO 0.26 -0.71 -0.00 -0.51 0.00 0.00 0.00 175.30 174.34 2oi6 s LEU 332 N 1.97 3.33 0.50 -0.88 1.43 0.24 -1.64 118.68 123.64 2oi6 s LEU 332 Ca 0.02 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2oi6 s LEU 332 Cb -0.17 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2oi6 s LEU 332 CO -0.12 0.11 0.48 -0.13 0.23 0.00 0.00 176.35 176.91 2oi6 s ARG 333 N 0.72 2.38 0.14 1.70 0.52 0.21 -1.66 118.95 122.95 2oi6 s ARG 333 Ca -0.00 -1.75 -0.35 0.00 -0.52 0.00 0.00 55.73 53.11 2oi6 s ARG 333 Cb -0.14 -2.33 -0.16 0.00 0.52 0.00 0.00 34.95 32.85 2oi6 s ARG 333 CO 0.02 -0.50 1.33 -2.30 0.02 0.00 0.00 175.30 173.87 2oi6 n PRO 334 N -1.78 1.39 -0.14 3.54 -0.02 -1.05 -1.13 135.00 135.82 2oi6 n PRO 334 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2oi6 n PRO 334 Cb 0.63 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2oi6 n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oi6 n GLY 335 N 2.48 0.84 3.70 -1.23 0.00 -0.75 -1.51 105.19 108.74 2oi6 n GLY 335 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2oi6 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 336 N -2.46 3.67 -0.03 4.61 0.00 -0.28 -2.46 121.76 124.81 2oi6 s ALA 336 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 2oi6 s ALA 336 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.52 2oi6 s ALA 336 CO 0.00 -0.89 0.04 -2.00 0.00 0.00 0.00 175.76 172.91 2oi6 s GLU 337 N 1.90 -0.03 -0.10 0.00 2.12 0.19 -0.93 118.70 121.85 2oi6 s GLU 337 Ca 0.69 0.26 0.03 0.00 0.36 0.00 0.00 54.97 56.31 2oi6 s GLU 337 Cb -0.39 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 2oi6 s GLU 337 CO 0.31 -0.23 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.08 2oi6 s LEU 338 N 1.51 2.29 0.69 2.70 1.02 0.32 -0.80 118.68 126.40 2oi6 s LEU 338 Ca -0.03 -0.47 -0.05 0.00 0.02 0.00 0.00 54.13 53.60 2oi6 s LEU 338 Cb -0.13 -1.46 0.07 0.00 0.02 0.00 0.00 46.19 44.69 2oi6 s LEU 338 CO -0.03 0.19 0.98 -0.76 0.02 0.00 0.00 176.35 176.75 2oi6 s LEU 339 N 0.17 2.91 0.03 1.79 1.43 -0.26 -1.29 118.68 123.46 2oi6 s LEU 339 Ca -0.12 0.29 -0.38 0.00 -1.03 0.00 0.00 54.13 52.89 2oi6 s LEU 339 Cb -0.16 -2.93 -0.18 0.00 0.03 0.00 0.00 46.19 42.95 2oi6 s LEU 339 CO 0.06 -1.58 1.28 1.21 0.23 0.00 0.00 176.35 177.55 2oi6 n GLU 340 N -2.84 0.75 -0.95 1.70 2.13 -1.26 -1.81 120.64 118.36 2oi6 n GLU 340 Ca 0.09 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2oi6 n GLU 340 Cb 0.60 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2oi6 n GLU 340 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oi6 n GLY 341 N 2.31 0.55 3.76 8.31 0.00 -0.77 -1.52 105.19 117.82 2oi6 n GLY 341 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2oi6 n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 342 N -2.43 2.36 -0.02 4.61 0.00 -0.75 -3.79 121.76 121.73 2oi6 s ALA 342 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2oi6 s ALA 342 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2oi6 s ALA 342 CO 0.00 -1.48 -0.05 -1.58 0.00 0.00 0.00 175.76 172.65 2oi6 s HIS 343 N -2.37 0.58 -0.10 0.00 2.46 0.27 -1.68 115.29 114.46 2oi6 s HIS 343 Ca 0.67 -0.12 0.01 0.00 0.47 0.00 0.00 55.06 56.09 2oi6 s HIS 343 Cb -0.21 -0.45 0.02 0.00 -0.13 0.00 0.00 32.58 31.81 2oi6 s HIS 343 CO 0.44 -0.07 -0.11 0.08 -2.47 0.00 0.00 174.74 172.61 2oi6 s VAL 344 N 0.28 1.19 0.00 0.89 1.01 -0.16 -1.06 120.40 122.55 2oi6 s VAL 344 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2oi6 s VAL 344 Cb -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2oi6 s VAL 344 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2oi6 n GLY 345 N 4.47 1.47 3.80 4.51 0.00 0.53 -0.58 105.19 119.40 2oi6 n GLY 345 Ca -0.17 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 2oi6 n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi6 s ASN 346 N -1.00 7.18 -1.33 1.61 6.03 -0.92 -3.87 114.94 122.63 2oi6 s ASN 346 Ca 0.00 1.55 -0.08 0.00 -1.03 0.00 0.00 52.86 53.30 2oi6 s ASN 346 Cb 0.00 -2.47 0.01 0.00 -3.03 0.00 0.00 41.25 35.76 2oi6 s ASN 346 CO 0.00 0.04 1.16 0.49 -2.03 0.00 0.00 177.10 176.76 2oi6 n PHE 347 N 0.82 -2.80 -5.11 1.54 3.72 0.84 -2.01 117.46 114.47 2oi6 n PHE 347 Ca -0.02 1.00 -0.32 0.00 -0.05 0.00 0.00 57.45 58.06 2oi6 n PHE 347 Cb 0.50 -5.01 -0.15 0.00 -0.94 0.00 0.00 39.48 33.89 2oi6 n PHE 347 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2oi6 s VAL 348 N -3.32 2.52 -0.04 -4.37 1.01 -1.25 -2.16 120.40 112.80 2oi6 s VAL 348 Ca 0.52 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2oi6 s VAL 348 Cb -0.23 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2oi6 s VAL 348 CO 0.72 0.58 -0.18 -0.70 0.00 0.00 0.00 175.10 175.52 2oi6 s GLU 349 N -0.68 1.78 -0.03 2.72 2.12 -0.13 -1.16 118.70 123.32 2oi6 s GLU 349 Ca 0.11 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.82 2oi6 s GLU 349 Cb -0.10 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2oi6 s GLU 349 CO -0.00 0.29 -0.11 -1.64 -0.54 0.00 0.00 175.26 173.26 2oi6 s MET 350 N -0.09 1.09 -0.03 4.30 -1.94 -0.65 -1.02 119.30 120.96 2oi6 s MET 350 Ca -0.01 -0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 53.59 2oi6 s MET 350 Cb -0.11 -1.01 0.03 0.00 2.01 0.00 0.00 34.83 35.76 2oi6 s MET 350 CO 0.02 0.15 0.03 0.21 -0.01 0.00 0.00 175.02 175.42 2oi6 s LYS 351 N 0.11 0.01 -1.27 2.03 2.20 -0.59 0.66 119.74 122.88 2oi6 s LYS 351 Ca -0.02 0.23 -0.27 0.00 -0.36 0.00 0.00 55.97 55.55 2oi6 s LYS 351 Cb -0.08 -0.38 0.03 0.00 -1.51 0.00 0.00 37.83 35.89 2oi6 s LYS 351 CO 0.01 -0.22 0.57 1.63 -0.36 0.00 0.00 175.35 176.98 2oi6 n LYS 352 N 4.55 -0.55 -3.79 4.03 5.02 -0.57 -1.56 118.16 125.28 2oi6 n LYS 352 Ca -0.20 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 2oi6 n LYS 352 Cb 0.50 -2.91 -0.12 0.00 -0.02 0.00 0.00 35.03 32.48 2oi6 n LYS 352 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oi6 s ALA 353 N -3.68 -0.59 -0.11 7.82 0.00 -1.03 -1.72 121.76 122.45 2oi6 s ALA 353 Ca 0.40 0.64 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2oi6 s ALA 353 Cb -0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2oi6 s ALA 353 CO 0.96 -0.12 -0.16 0.50 0.00 0.00 0.00 175.76 176.94 2oi6 s ARG 354 N 0.04 3.13 -0.20 0.00 3.52 -0.52 -0.64 118.95 124.27 2oi6 s ARG 354 Ca -0.01 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2oi6 s ARG 354 Cb -0.02 -2.50 -0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2oi6 s ARG 354 CO 0.00 0.29 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.51 2oi6 s LEU 355 N 0.14 2.66 0.00 -0.88 2.96 0.02 -1.34 118.68 122.24 2oi6 s LEU 355 Ca -0.08 -0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 53.17 2oi6 s LEU 355 Cb -0.15 -1.65 0.30 0.00 0.50 0.00 0.00 46.19 45.19 2oi6 s LEU 355 CO 0.05 0.01 1.10 0.61 -1.32 0.00 0.00 176.35 176.80 2oi6 n GLY 356 N 4.58 -2.75 3.71 7.98 0.00 -0.27 -1.10 105.19 117.34 2oi6 n GLY 356 Ca -0.19 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2oi6 n GLY 356 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oi6 n LYS 357 N -4.82 2.75 -1.04 1.61 5.02 -1.26 -1.52 118.16 118.90 2oi6 n LYS 357 Ca 0.15 0.99 -0.01 0.00 -2.02 0.00 0.00 58.31 57.42 2oi6 n LYS 357 Cb 0.59 -2.84 -0.01 0.00 -0.02 0.00 0.00 35.03 32.75 2oi6 n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oi6 n GLY 358 N 3.99 0.29 3.87 0.72 0.00 -0.58 -0.73 105.19 112.75 2oi6 n GLY 358 Ca 0.16 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2oi6 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oi6 s SER 359 N -2.09 6.60 -0.02 1.61 0.01 -0.57 -4.28 113.70 114.96 2oi6 s SER 359 Ca 0.00 1.20 0.02 0.00 1.31 0.00 0.00 55.95 58.48 2oi6 s SER 359 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2oi6 s SER 359 CO 0.00 -0.36 -0.08 -0.54 0.41 0.00 0.00 173.24 172.67 2oi6 s LYS 360 N -3.63 0.83 -0.41 12.44 1.02 -0.03 -0.56 119.74 129.39 2oi6 s LYS 360 Ca 0.53 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2oi6 s LYS 360 Cb -0.10 -0.79 0.14 0.00 -0.52 0.00 0.00 37.83 36.56 2oi6 s LYS 360 CO 0.28 0.08 0.23 0.00 -0.92 0.00 0.00 175.35 175.02 2oi6 s ALA 361 N 0.24 1.69 -0.77 5.17 0.00 -0.23 -0.18 121.76 127.69 2oi6 s ALA 361 Ca -0.03 -2.33 0.26 0.00 0.00 0.00 0.00 51.96 49.85 2oi6 s ALA 361 Cb -0.08 -1.78 0.64 0.00 0.00 0.00 0.00 23.12 21.90 2oi6 s ALA 361 CO 0.00 -2.08 1.56 0.41 0.00 0.00 0.00 175.76 175.65 2oi6 n GLY 362 N 3.69 -1.50 3.63 0.00 0.00 -1.26 -0.34 105.19 109.41 2oi6 n GLY 362 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2oi6 n GLY 362 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oi6 s HIS 363 N -3.10 -0.70 -1.21 1.61 0.09 -1.26 -2.17 115.29 108.54 2oi6 s HIS 363 Ca 0.09 1.70 -0.34 0.00 -0.00 0.00 0.00 55.06 56.51 2oi6 s HIS 363 Cb 0.14 0.31 0.05 0.00 -0.00 0.00 0.00 32.58 33.08 2oi6 s HIS 363 CO 0.65 -0.34 0.64 1.28 -0.00 0.00 0.00 174.74 176.98 2oi6 n LEU 364 N 2.59 -0.13 -4.04 0.89 4.77 -0.85 -2.01 117.00 118.22 2oi6 n LEU 364 Ca -0.14 -1.30 -0.13 0.00 -0.03 0.00 0.00 56.01 54.42 2oi6 n LEU 364 Cb 0.55 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 2oi6 n LEU 364 CO 0.03 0.81 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.61 2oi6 s THR 365 N -3.59 0.48 -0.13 -5.08 2.01 -0.92 -1.18 115.64 107.24 2oi6 s THR 365 Ca 0.47 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2oi6 s THR 365 Cb -0.26 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2oi6 s THR 365 CO 0.97 -0.34 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.90 2oi6 s TYR 366 N -1.25 2.35 -0.27 4.92 5.04 -0.85 -0.96 117.35 126.34 2oi6 s TYR 366 Ca -0.09 -1.16 0.02 0.00 -2.44 0.00 0.00 57.07 53.40 2oi6 s TYR 366 Cb -0.09 -1.64 0.07 0.00 0.35 0.00 0.00 41.96 40.65 2oi6 s TYR 366 CO 0.00 -0.56 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.09 2oi6 s LEU 367 N 0.91 3.30 -0.03 6.97 1.43 -0.19 -1.82 118.68 129.25 2oi6 s LEU 367 Ca -0.06 -1.45 0.04 0.00 -1.03 0.00 0.00 54.13 51.63 2oi6 s LEU 367 Cb -0.15 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 2oi6 s LEU 367 CO -0.02 -0.24 -0.14 -0.83 0.23 0.00 0.00 176.35 175.34 2oi6 s GLY 368 N 1.19 0.77 -1.03 -3.19 0.00 -1.26 -1.54 107.32 102.26 2oi6 s GLY 368 Ca -0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 44.72 43.95 2oi6 s GLY 368 CO -0.07 -0.33 0.77 1.22 0.00 0.00 0.00 173.10 174.70 2oi6 n ASP 369 N 3.08 -5.79 -3.93 1.64 8.00 -0.60 -4.70 116.55 114.25 2oi6 n ASP 369 Ca -0.17 -0.84 -0.10 0.00 0.71 0.00 0.00 54.79 54.39 2oi6 n ASP 369 Cb 0.54 -3.65 -0.10 0.00 -0.02 0.00 0.00 41.12 37.88 2oi6 n ASP 369 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi6 s ALA 370 N -3.33 -0.09 -0.21 2.24 0.00 -0.88 -1.23 121.76 118.26 2oi6 s ALA 370 Ca 0.35 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2oi6 s ALA 370 Cb -0.11 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.22 2oi6 s ALA 370 CO 0.84 -0.23 -0.08 -1.21 0.00 0.00 0.00 175.76 175.08 2oi6 s GLU 371 N -1.81 1.78 -0.12 0.00 2.02 -0.18 -1.44 118.70 118.95 2oi6 s GLU 371 Ca -0.12 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.01 2oi6 s GLU 371 Cb -0.06 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 2oi6 s GLU 371 CO -0.01 -0.50 -0.14 0.42 0.02 0.00 0.00 175.26 175.04 2oi6 s ILE 372 N 1.42 2.94 0.00 -1.63 -1.09 -0.45 -0.26 121.20 122.14 2oi6 s ILE 372 Ca -0.03 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2oi6 s ILE 372 Cb -0.17 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 2oi6 s ILE 372 CO -0.07 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 2oi6 n GLY 373 N 3.41 -2.35 3.90 6.18 0.00 0.11 -1.12 105.19 115.32 2oi6 n GLY 373 Ca -0.18 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 2oi6 n GLY 373 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oi6 s ASP 374 N -1.52 6.44 -1.47 1.61 1.01 -1.26 -2.83 116.67 118.65 2oi6 s ASP 374 Ca 0.00 0.78 -0.11 0.00 0.71 0.00 0.00 52.55 53.92 2oi6 s ASP 374 Cb 0.00 -2.17 0.06 0.00 1.01 0.00 0.00 42.92 41.81 2oi6 s ASP 374 CO 0.00 -0.26 1.00 -3.20 0.21 0.00 0.00 175.17 172.92 2oi6 n ASN 375 N -1.15 -5.41 -4.83 0.27 5.15 0.09 -1.29 115.26 108.10 2oi6 n ASN 375 Ca -0.01 -0.64 -0.34 0.00 -0.60 0.00 0.00 54.58 52.99 2oi6 n ASN 375 Cb 0.54 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 35.43 2oi6 n ASN 375 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2oi6 s VAL 376 N -3.28 5.06 -0.17 3.44 1.01 -1.26 -3.36 120.40 121.85 2oi6 s VAL 376 Ca 0.60 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2oi6 s VAL 376 Cb -0.29 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2oi6 s VAL 376 CO 0.75 0.38 -0.18 0.21 0.00 0.00 0.00 175.10 176.25 2oi6 s ASN 377 N -1.71 2.97 -0.46 3.32 3.84 -0.46 -0.85 114.94 121.58 2oi6 s ASN 377 Ca 0.23 -0.59 -0.14 0.00 0.21 0.00 0.00 52.86 52.57 2oi6 s ASN 377 Cb -0.12 -1.37 0.08 0.00 -0.55 0.00 0.00 41.25 39.28 2oi6 s ASN 377 CO 0.14 -0.02 0.37 -0.63 -2.79 0.00 0.00 177.10 174.17 2oi6 s ILE 378 N 1.35 4.98 0.80 -5.21 -1.09 0.75 -0.17 121.20 122.61 2oi6 s ILE 378 Ca 0.05 -1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 57.17 2oi6 s ILE 378 Cb -0.13 -4.00 0.08 0.00 -1.58 0.00 0.00 42.46 36.83 2oi6 s ILE 378 CO -0.12 -0.57 1.22 0.61 -1.23 0.00 0.00 174.94 174.85 2oi6 n GLY 379 N 5.13 0.05 3.62 6.18 0.00 0.40 -4.04 105.19 116.53 2oi6 n GLY 379 Ca -0.12 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2oi6 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 n ALA 380 N -3.20 0.33 -0.96 4.61 0.00 -1.26 -2.71 120.51 117.32 2oi6 n ALA 380 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2oi6 n ALA 380 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2oi6 n ALA 380 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 381 N 1.17 0.61 3.76 0.00 0.00 -0.32 -0.03 105.19 110.38 2oi6 n GLY 381 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2oi6 n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi6 s THR 382 N -2.62 3.11 -0.03 2.61 2.01 -1.10 -3.97 115.64 115.64 2oi6 s THR 382 Ca 0.00 1.07 0.01 0.00 0.31 0.00 0.00 61.69 63.07 2oi6 s THR 382 Cb 0.00 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2oi6 s THR 382 CO 0.00 0.23 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.52 2oi6 s ILE 383 N -0.87 0.25 -0.32 1.82 1.01 -0.25 -2.00 121.20 120.84 2oi6 s ILE 383 Ca 0.49 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.96 2oi6 s ILE 383 Cb -0.36 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2oi6 s ILE 383 CO 0.45 0.15 0.60 0.42 0.00 0.00 0.00 174.94 176.56 2oi6 s THR 384 N 0.83 4.95 -0.96 2.92 -4.23 -0.75 -1.00 115.64 117.41 2oi6 s THR 384 Ca -0.09 0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 60.91 2oi6 s THR 384 Cb -0.12 -3.99 0.10 0.00 1.34 0.00 0.00 72.50 69.83 2oi6 s THR 384 CO -0.01 -0.17 1.24 0.00 -0.54 0.00 0.00 174.62 175.14 2oi6 n ASN 386 N 7.42 1.70 -4.04 0.00 6.94 -1.26 -1.69 115.26 124.33 2oi6 n ASN 386 Ca 0.27 -1.39 -0.28 0.00 -0.02 0.00 0.00 54.58 53.16 2oi6 n ASN 386 Cb 0.50 0.13 -0.17 0.00 -2.36 0.00 0.00 39.78 37.88 2oi6 n ASN 386 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2oi6 s TYR 387 N -2.25 1.86 -2.13 -2.53 5.04 -1.26 -0.23 117.35 115.85 2oi6 s TYR 387 Ca 0.28 -0.86 0.21 0.00 -2.44 0.00 0.00 57.07 54.26 2oi6 s TYR 387 Cb 0.20 -1.36 0.47 0.00 0.35 0.00 0.00 41.96 41.61 2oi6 s TYR 387 CO 0.43 -0.46 1.40 -0.40 -1.34 0.00 0.00 175.55 175.19 2oi6 n ASP 388 N 4.24 3.51 0.00 4.32 5.68 -0.68 -4.94 116.55 128.68 2oi6 n ASP 388 Ca -0.19 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 2oi6 n ASP 388 Cb 0.51 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2oi6 n ASP 388 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oi6 n GLY 389 N 1.42 2.81 1.03 6.12 0.00 -1.26 -4.80 105.19 110.51 2oi6 n GLY 389 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2oi6 n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 n ALA 390 N -0.99 2.60 -2.54 4.61 0.00 -1.26 -5.13 120.51 117.80 2oi6 n ALA 390 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2oi6 n ALA 390 Cb 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 2oi6 n ALA 390 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2oi6 s ASN 391 N -4.32 4.28 0.01 0.00 -0.87 -1.26 -5.15 114.94 107.63 2oi6 s ASN 391 Ca 0.00 -0.91 0.08 0.00 -1.57 0.00 0.00 52.86 50.45 2oi6 s ASN 391 Cb 0.00 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.25 40.62 2oi6 s ASN 391 CO 0.00 -0.20 -0.24 -0.54 -2.57 0.00 0.00 177.10 173.55 2oi6 s LYS 392 N -3.72 1.74 0.18 -0.60 1.02 -1.25 -1.69 119.74 115.42 2oi6 s LYS 392 Ca 0.35 -0.94 0.07 0.00 0.02 0.00 0.00 55.97 55.47 2oi6 s LYS 392 Cb -0.02 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2oi6 s LYS 392 CO 0.20 0.48 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.90 2oi6 s PHE 393 N -0.68 1.65 0.08 3.18 0.40 0.68 -5.00 117.98 118.29 2oi6 s PHE 393 Ca 0.09 -0.57 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 2oi6 s PHE 393 Cb -0.09 -0.79 -0.06 0.00 0.51 0.00 0.00 43.02 42.58 2oi6 s PHE 393 CO 0.01 0.30 0.50 0.21 0.70 0.00 0.00 175.22 176.94 2oi6 s LYS 394 N -3.38 4.01 -0.12 0.44 2.20 -1.26 -4.64 119.74 116.98 2oi6 s LYS 394 Ca 0.19 0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 2oi6 s LYS 394 Cb -0.02 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2oi6 s LYS 394 CO 0.06 0.60 -0.07 0.99 -0.36 0.00 0.00 175.35 176.56 2oi6 s THR 395 N -1.24 3.60 -0.12 3.43 2.01 -0.36 -2.91 115.64 120.04 2oi6 s THR 395 Ca 0.31 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.85 2oi6 s THR 395 Cb -0.17 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.83 2oi6 s THR 395 CO 0.17 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.83 2oi6 s ILE 396 N -0.01 1.73 -0.15 1.82 1.01 -0.25 -1.01 121.20 124.35 2oi6 s ILE 396 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2oi6 s ILE 396 Cb -0.14 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2oi6 s ILE 396 CO 0.03 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.68 2oi6 s ILE 397 N 0.88 1.57 1.18 2.92 1.01 0.65 -0.14 121.20 129.26 2oi6 s ILE 397 Ca -0.08 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 2oi6 s ILE 397 Cb -0.15 -1.47 0.28 0.00 0.01 0.00 0.00 42.46 41.13 2oi6 s ILE 397 CO -0.01 0.46 1.14 -0.83 0.00 0.00 0.00 174.94 175.70 2oi6 s GLY 398 N 1.45 1.61 0.69 6.18 0.00 0.06 0.07 107.32 117.39 2oi6 s GLY 398 Ca 0.04 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 2oi6 s GLY 398 CO -0.10 -0.14 1.10 0.99 0.00 0.00 0.00 173.10 174.95 2oi6 s ASP 399 N -4.07 4.94 -1.90 1.64 1.01 -1.26 -3.86 116.67 113.17 2oi6 s ASP 399 Ca 0.72 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.90 2oi6 s ASP 399 Cb -0.08 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2oi6 s ASP 399 CO 0.55 -1.74 0.00 0.47 0.21 0.00 0.00 175.17 174.67 2oi6 n ASP 400 N -2.78 -5.46 -4.78 0.27 8.00 -0.41 -0.70 116.55 110.69 2oi6 n ASP 400 Ca 0.10 0.27 -0.39 0.00 0.71 0.00 0.00 54.79 55.48 2oi6 n ASP 400 Cb 0.52 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 36.97 2oi6 n ASP 400 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi6 s VAL 401 N -2.83 4.79 -0.33 2.53 1.01 -1.25 -3.67 120.40 120.65 2oi6 s VAL 401 Ca 0.00 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 2oi6 s VAL 401 Cb 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2oi6 s VAL 401 CO 0.00 0.48 0.09 0.12 0.00 0.00 0.00 175.10 175.80 2oi6 s PHE 402 N -0.64 3.24 -0.38 5.22 5.36 -0.71 -1.36 117.98 128.70 2oi6 s PHE 402 Ca 0.31 -1.39 -0.17 0.00 -0.96 0.00 0.00 56.93 54.72 2oi6 s PHE 402 Cb -0.19 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2oi6 s PHE 402 CO 0.19 -0.71 0.43 0.08 -1.46 0.00 0.00 175.22 173.75 2oi6 s VAL 403 N 1.41 5.09 0.74 3.12 1.01 0.76 -0.61 120.40 131.92 2oi6 s VAL 403 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2oi6 s VAL 403 Cb -0.19 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2oi6 s VAL 403 CO 0.02 -0.27 1.22 0.61 0.00 0.00 0.00 175.10 176.69 2oi6 n GLY 404 N 4.99 0.18 3.75 4.51 0.00 0.16 -0.45 105.19 118.33 2oi6 n GLY 404 Ca -0.07 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2oi6 n GLY 404 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oi6 s SER 405 N -1.81 5.46 -1.27 1.61 1.04 -1.26 -3.03 113.70 114.44 2oi6 s SER 405 Ca 0.77 2.70 -0.01 0.00 0.48 0.00 0.00 55.95 59.89 2oi6 s SER 405 Cb -0.33 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.16 2oi6 s SER 405 CO 0.47 -1.44 0.11 -0.67 0.98 0.00 0.00 173.24 172.69 2oi6 n ASP 406 N -0.88 -4.70 -4.80 7.02 2.03 0.96 -0.82 116.55 115.36 2oi6 n ASP 406 Ca 0.09 -0.06 -0.37 0.00 0.52 0.00 0.00 54.79 54.97 2oi6 n ASP 406 Cb 0.45 -3.77 -0.06 0.00 -0.72 0.00 0.00 41.12 37.02 2oi6 n ASP 406 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2oi6 s THR 407 N -2.83 4.42 -0.17 5.18 2.01 -1.17 -3.76 115.64 119.32 2oi6 s THR 407 Ca 0.06 1.52 -0.01 0.00 0.31 0.00 0.00 61.69 63.56 2oi6 s THR 407 Cb -0.02 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 2oi6 s THR 407 CO 0.07 0.19 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.98 2oi6 s GLN 408 N -1.98 3.29 -0.42 4.92 1.11 -0.58 -1.09 119.66 124.91 2oi6 s GLN 408 Ca 0.46 -0.70 -0.11 0.00 0.01 0.00 0.00 55.36 55.02 2oi6 s GLN 408 Cb -0.18 -2.75 0.06 0.00 -1.01 0.00 0.00 33.01 29.14 2oi6 s GLN 408 CO 0.22 -0.03 0.27 -0.51 0.01 0.00 0.00 175.29 175.26 2oi6 s LEU 409 N 0.97 5.14 -0.76 2.90 1.43 -0.17 -0.38 118.68 127.82 2oi6 s LEU 409 Ca -0.02 -1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 51.49 2oi6 s LEU 409 Cb -0.15 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.08 2oi6 s LEU 409 CO -0.01 -0.52 1.20 -0.69 0.23 0.00 0.00 176.35 176.56 2oi6 s VAL 410 N 1.50 3.95 0.64 -1.59 1.01 0.02 -0.28 120.40 125.66 2oi6 s VAL 410 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 2oi6 s VAL 410 Cb -0.22 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.28 2oi6 s VAL 410 CO 0.04 -1.74 1.12 0.00 0.00 0.00 0.00 175.10 174.52 2oi6 s ALA 411 N 5.06 2.49 0.22 5.51 0.00 -0.68 -4.22 121.76 130.13 2oi6 s ALA 411 Ca 0.32 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 2oi6 s ALA 411 Cb -0.09 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2oi6 s ALA 411 CO 0.10 -1.22 0.90 -1.25 0.00 0.00 0.00 175.76 174.29 2oi6 s PRO 412 N -3.93 4.79 -0.01 0.00 0.04 -1.26 -4.84 135.00 129.79 2oi6 s PRO 412 Ca 0.69 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 2oi6 s PRO 412 Cb -0.22 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.12 2oi6 s PRO 412 CO 0.39 0.52 0.71 0.54 0.04 0.00 0.00 177.00 179.21 2oi6 s VAL 413 N -1.14 0.00 -0.06 -0.36 0.11 -1.15 -4.89 120.40 112.91 2oi6 s VAL 413 Ca 0.40 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.48 2oi6 s VAL 413 Cb -0.25 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 2oi6 s VAL 413 CO 0.31 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.04 2oi6 s THR 414 N -1.88 1.32 -0.27 5.04 2.01 -1.26 -1.09 115.64 119.51 2oi6 s THR 414 Ca -0.06 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 2oi6 s THR 414 Cb -0.00 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.35 2oi6 s THR 414 CO 0.03 0.39 0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 2oi6 s VAL 415 N 0.38 3.58 0.72 3.82 1.01 0.80 -0.58 120.40 130.12 2oi6 s VAL 415 Ca -0.11 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2oi6 s VAL 415 Cb -0.14 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.46 2oi6 s VAL 415 CO 0.04 0.16 1.18 -0.83 0.00 0.00 0.00 175.10 175.65 2oi6 s GLY 416 N 1.45 2.29 0.53 4.51 0.00 0.89 -0.76 107.32 116.22 2oi6 s GLY 416 Ca 0.02 0.79 -0.22 0.00 0.00 0.00 0.00 44.72 45.32 2oi6 s GLY 416 CO -0.00 1.19 1.25 0.58 0.00 0.00 0.00 173.10 176.11 2oi6 n LYS 417 N -2.68 1.56 -0.07 2.90 2.85 -1.26 -2.24 118.16 119.22 2oi6 n LYS 417 Ca 0.13 0.57 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2oi6 n LYS 417 Cb 0.51 -2.43 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 2oi6 n LYS 417 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2oi6 n GLY 418 N 0.89 2.75 3.73 2.58 0.00 0.13 -1.01 105.19 114.25 2oi6 n GLY 418 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2oi6 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 419 N -2.99 2.03 -0.06 4.61 0.00 -0.95 -4.13 121.76 120.27 2oi6 s ALA 419 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.64 2oi6 s ALA 419 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2oi6 s ALA 419 CO 0.00 -1.99 -0.19 0.99 0.00 0.00 0.00 175.76 174.56 2oi6 s THR 420 N -2.39 1.63 -0.18 0.00 2.01 0.10 -1.74 115.64 115.07 2oi6 s THR 420 Ca 0.69 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 2oi6 s THR 420 Cb -0.24 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 2oi6 s THR 420 CO 0.50 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.19 2oi6 s ILE 421 N 0.14 3.28 0.62 1.82 1.01 0.22 -0.54 121.20 127.75 2oi6 s ILE 421 Ca -0.08 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2oi6 s ILE 421 Cb -0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 2oi6 s ILE 421 CO 0.04 0.47 1.31 0.00 0.00 0.00 0.00 174.94 176.75 2oi6 s ALA 422 N 1.01 2.50 0.42 9.38 0.00 -0.26 0.37 121.76 135.17 2oi6 s ALA 422 Ca -0.00 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2oi6 s ALA 422 Cb -0.15 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2oi6 s ALA 422 CO -0.00 -1.52 1.40 0.00 0.00 0.00 0.00 175.76 175.64 2oi6 s ALA 423 N -1.38 3.33 -0.68 0.00 0.00 -1.26 -2.69 121.76 119.09 2oi6 s ALA 423 Ca 0.80 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2oi6 s ALA 423 Cb -0.38 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2oi6 s ALA 423 CO 0.41 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2oi6 n GLY 424 N 0.58 0.75 3.81 0.00 0.00 -0.00 -4.94 105.19 105.40 2oi6 n GLY 424 Ca 0.04 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 2oi6 n GLY 424 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi6 s THR 425 N -2.26 4.66 -0.32 2.61 2.01 -1.09 -4.82 115.64 116.42 2oi6 s THR 425 Ca 0.00 1.23 -0.09 0.00 0.31 0.00 0.00 61.69 63.14 2oi6 s THR 425 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2oi6 s THR 425 CO 0.00 0.39 0.15 -0.89 -0.69 0.00 0.00 174.62 173.58 2oi6 s THR 426 N -1.30 4.43 -0.43 -0.82 2.01 -1.26 -1.53 115.64 116.74 2oi6 s THR 426 Ca 0.36 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.57 2oi6 s THR 426 Cb -0.18 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2oi6 s THR 426 CO 0.21 -0.01 0.48 -0.69 -0.69 0.00 0.00 174.62 173.92 2oi6 s VAL 427 N 1.57 5.03 -0.42 3.82 1.01 0.49 -4.86 120.40 127.03 2oi6 s VAL 427 Ca 0.03 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2oi6 s VAL 427 Cb -0.18 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2oi6 s VAL 427 CO 0.05 -0.47 0.36 0.35 0.00 0.00 0.00 175.10 175.40 2oi6 n THR 428 N 5.53 0.00 -4.19 3.92 -2.24 -1.26 -0.80 114.28 115.24 2oi6 n THR 428 Ca -0.06 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 2oi6 n THR 428 Cb 0.47 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 2oi6 n THR 428 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2oi6 s ARG 429 N -1.45 0.90 0.59 -0.78 0.52 -1.26 -4.95 118.95 112.52 2oi6 s ARG 429 Ca 0.04 -1.37 -0.20 0.00 -0.52 0.00 0.00 55.73 53.68 2oi6 s ARG 429 Cb 0.05 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.19 2oi6 s ARG 429 CO 0.24 -0.01 1.21 0.09 0.02 0.00 0.00 175.30 176.85 2oi6 n ASN 430 N -0.09 1.87 -4.39 0.23 3.02 -1.26 -4.74 115.26 109.90 2oi6 n ASN 430 Ca -0.11 0.88 -0.34 0.00 -0.03 0.00 0.00 54.58 54.98 2oi6 n ASN 430 Cb 0.61 -1.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.14 2oi6 n ASN 430 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi6 s VAL 431 N -1.38 3.37 0.74 2.41 1.01 0.26 -4.97 120.40 121.83 2oi6 s VAL 431 Ca 0.76 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 2oi6 s VAL 431 Cb -0.41 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.55 2oi6 s VAL 431 CO 0.46 0.49 1.16 -0.83 0.00 0.00 0.00 175.10 176.38 2oi6 s GLY 432 N 0.64 2.16 0.43 4.51 0.00 -1.26 -0.08 107.32 113.72 2oi6 s GLY 432 Ca -0.05 0.70 -0.26 0.00 0.00 0.00 0.00 44.72 45.12 2oi6 s GLY 432 CO 0.03 1.09 1.38 -0.54 0.00 0.00 0.00 173.10 175.05 2oi6 s GLU 433 N -4.13 3.79 -0.78 2.90 2.02 -1.26 -2.07 118.70 119.17 2oi6 s GLU 433 Ca 0.70 2.31 0.00 0.00 0.02 0.00 0.00 54.97 58.00 2oi6 s GLU 433 Cb -0.25 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2oi6 s GLU 433 CO 0.47 -0.69 0.00 0.09 0.02 0.00 0.00 175.26 175.14 2oi6 n ASN 434 N -0.08 -5.50 -4.91 -0.19 3.02 -0.18 -4.83 115.26 102.60 2oi6 n ASN 434 Ca 0.05 0.18 -0.25 0.00 -0.03 0.00 0.00 54.58 54.53 2oi6 n ASN 434 Cb 0.43 -3.82 -0.03 0.00 -0.61 0.00 0.00 39.78 35.74 2oi6 n ASN 434 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oi6 s ALA 435 N -1.59 3.86 -0.21 5.41 0.00 -0.88 -4.78 121.76 123.57 2oi6 s ALA 435 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 2oi6 s ALA 435 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2oi6 s ALA 435 CO 0.00 0.46 0.41 -1.17 0.00 0.00 0.00 175.76 175.46 2oi6 s LEU 436 N -3.38 4.14 -0.11 0.00 2.96 -1.26 -0.72 118.68 120.31 2oi6 s LEU 436 Ca 0.34 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.69 2oi6 s LEU 436 Cb -0.10 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2oi6 s LEU 436 CO 0.27 -0.11 0.11 0.00 -1.32 0.00 0.00 176.35 175.31 2oi6 s ALA 437 N 1.47 3.75 0.00 5.97 0.00 0.30 -4.97 121.76 128.28 2oi6 s ALA 437 Ca 0.19 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.28 2oi6 s ALA 437 Cb -0.15 -1.86 0.04 0.00 0.00 0.00 0.00 23.12 21.14 2oi6 s ALA 437 CO 0.08 0.62 0.42 -1.50 0.00 0.00 0.00 175.76 175.38 2oi6 s ILE 438 N -1.00 0.05 -0.47 0.00 2.07 -1.26 -1.10 121.20 119.48 2oi6 s ILE 438 Ca 0.15 -0.38 0.06 0.00 -1.41 0.00 0.00 60.65 59.08 2oi6 s ILE 438 Cb -0.12 -0.82 0.23 0.00 0.13 0.00 0.00 42.46 41.89 2oi6 s ILE 438 CO 0.04 -0.21 0.77 -1.54 -1.91 0.00 0.00 174.94 172.09 2oi6 n SER 439 N 0.91 -2.30 -4.16 4.50 3.41 -1.26 -4.97 113.62 109.75 2oi6 n SER 439 Ca -0.20 -3.09 -0.17 0.00 -0.26 0.00 0.00 58.87 55.14 2oi6 n SER 439 Cb 0.58 1.25 -0.12 0.00 -0.26 0.00 0.00 64.21 65.66 2oi6 n SER 439 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oi6 s ARG 440 N 0.34 0.79 0.02 4.33 1.70 -1.26 -4.66 118.95 120.21 2oi6 s ARG 440 Ca 0.32 -0.95 -0.22 0.00 -0.47 0.00 0.00 55.73 54.41 2oi6 s ARG 440 Cb 0.18 -0.75 -0.06 0.00 -0.57 0.00 0.00 34.95 33.75 2oi6 s ARG 440 CO -0.19 0.16 0.65 0.08 -1.08 0.00 0.00 175.30 174.91 2oi6 s VAL 441 N -1.38 4.82 0.45 4.99 1.01 -1.26 -5.02 120.40 124.01 2oi6 s VAL 441 Ca -0.02 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 2oi6 s VAL 441 Cb -0.09 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 2oi6 s VAL 441 CO 0.02 0.42 1.28 -2.84 0.00 0.00 0.00 175.10 173.98 2oi6 s PRO 442 N -0.29 3.71 0.24 2.72 0.02 -1.26 -4.94 135.00 135.20 2oi6 s PRO 442 Ca 0.33 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 2oi6 s PRO 442 Cb -0.19 -2.54 -0.09 0.00 0.02 0.00 0.00 34.50 31.70 2oi6 s PRO 442 CO 0.19 -0.67 1.31 -1.14 -0.33 0.00 0.00 177.00 176.36 2oi6 s GLN 443 N -2.53 4.39 0.36 5.54 0.74 -1.26 -5.03 119.66 121.86 2oi6 s GLN 443 Ca 0.62 2.10 0.04 0.00 0.05 0.00 0.00 55.36 58.16 2oi6 s GLN 443 Cb -0.36 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2oi6 s GLN 443 CO 0.44 -0.22 0.12 0.95 -0.55 0.00 0.00 175.29 176.04 2oi6 s THR 444 N -0.27 0.63 -0.05 -0.34 -4.23 -1.26 -5.17 115.64 104.95 2oi6 s THR 444 Ca 0.54 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2oi6 s THR 444 Cb -0.37 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 70.99 2oi6 s THR 444 CO 0.42 0.00 0.19 -1.58 -0.54 0.00 0.00 174.62 173.11 2oi6 s GLN 445 N -3.79 0.31 -0.16 3.99 0.74 -1.26 -5.14 119.66 114.36 2oi6 s GLN 445 Ca 0.30 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.82 2oi6 s GLN 445 Cb 0.05 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.31 2oi6 s GLN 445 CO 0.16 -0.06 -0.20 0.15 -0.55 0.00 0.00 175.29 174.80 2oi6 s LYS 446 N -0.31 2.86 0.59 1.67 1.02 -1.26 -5.13 119.74 119.18 2oi6 s LYS 446 Ca -0.04 -0.78 -0.17 0.00 0.02 0.00 0.00 55.97 54.99 2oi6 s LYS 446 Cb -0.03 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 2oi6 s LYS 446 CO 0.01 -0.13 1.09 -1.21 -0.92 0.00 0.00 175.35 174.18 2oi6 s GLU 447 N 1.13 3.21 -1.22 1.68 0.41 -1.26 -4.19 118.70 118.45 2oi6 s GLU 447 Ca -0.00 1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 55.84 2oi6 s GLU 447 Cb -0.14 -2.00 -0.01 0.00 -1.78 0.00 0.00 34.13 30.20 2oi6 s GLU 447 CO -0.08 -0.93 0.70 0.41 -0.49 0.00 0.00 175.26 174.87 2oi6 n GLY 448 N -0.43 -0.70 3.64 -1.39 0.00 -1.26 -4.93 105.19 100.12 2oi6 n GLY 448 Ca 0.10 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 2oi6 n GLY 448 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2oi6 s TRP 449 N -3.61 3.32 -0.30 1.61 -0.11 -1.26 -5.03 118.94 113.56 2oi6 s TRP 449 Ca 0.28 0.92 -0.11 0.00 1.22 0.00 0.00 56.10 58.41 2oi6 s TRP 449 Cb -0.09 -2.86 -0.03 0.00 -1.50 0.00 0.00 33.47 28.99 2oi6 s TRP 449 CO 0.85 -0.28 0.18 1.03 -4.62 0.00 0.00 176.95 174.12 2oi6 s ARG 450 N 2.32 3.65 0.55 5.86 1.81 -1.26 -5.08 118.95 126.80 2oi6 s ARG 450 Ca 0.29 -0.52 -0.20 0.00 -1.72 0.00 0.00 55.73 53.58 2oi6 s ARG 450 Cb -0.16 -3.64 -0.06 0.00 -0.45 0.00 0.00 34.95 30.64 2oi6 s ARG 450 CO 0.09 -0.31 1.14 1.03 -0.68 0.00 0.00 175.30 176.58 2oi6 s ARG 451 N 1.70 3.32 0.64 3.54 0.52 -1.26 -4.95 118.95 122.46 2oi6 s ARG 451 Ca 0.06 1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 56.76 2oi6 s ARG 451 Cb -0.17 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.23 2oi6 s ARG 451 CO 0.09 -0.88 0.58 -2.30 0.02 0.00 0.00 175.30 172.81 2oi6 n PRO 452 N -1.29 0.47 -2.60 3.54 -0.02 -1.26 -5.02 135.00 128.83 2oi6 n PRO 452 Ca 0.12 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 2oi6 n PRO 452 Cb 0.51 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 32.18 2oi6 n PRO 452 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2oi6 n VAL 453 N -1.99 0.00 -0.78 -1.45 3.14 -1.26 -5.34 118.33 110.65 2oi6 n VAL 453 Ca 0.11 -1.18 0.00 0.00 -2.96 0.00 0.00 64.34 60.31 2oi6 n VAL 453 Cb 0.49 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 2oi6 n VAL 453 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66