#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mws h LYS 28 N 0.00 0.58 -0.31 -1.24 6.56 -2.05 -3.17 116.57 116.94 1mws h LYS 28 Ca 0.00 -0.44 0.07 0.00 -1.06 0.00 0.00 60.65 59.22 1mws h LYS 28 Cb 0.00 0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 31.67 1mws h LYS 28 CO 0.00 1.07 -0.21 0.93 -2.06 0.00 0.00 179.45 179.18 1mws h GLU 29 N 0.22 -0.17 -0.39 3.15 5.08 -2.00 -2.09 114.58 118.39 1mws h GLU 29 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1mws h GLU 29 Cb 1.13 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1mws h GLU 29 CO 0.11 -0.11 0.03 0.82 -1.00 0.00 0.00 179.01 178.85 1mws h ILE 30 N -0.18 0.74 0.00 3.13 2.04 -1.89 -2.27 117.51 119.09 1mws h ILE 30 Ca 0.16 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1mws h ILE 30 Cb 0.43 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1mws h ILE 30 CO -0.42 0.03 -0.19 0.78 0.00 0.00 0.00 178.15 178.35 1mws h ASN 31 N 0.14 0.00 0.45 1.72 2.35 -1.38 -0.83 115.58 118.02 1mws h ASN 31 Ca 0.19 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.70 1mws h ASN 31 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1mws h ASN 31 CO -0.29 0.19 -1.03 0.78 -1.65 0.00 0.00 177.43 175.43 1mws h ASN 32 N 0.00 0.47 -0.36 5.81 -0.26 -0.91 -0.14 115.58 120.19 1mws h ASN 32 Ca -0.00 -0.41 -0.04 0.00 -0.56 0.00 0.00 56.30 55.29 1mws h ASN 32 Cb 0.39 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1mws h ASN 32 CO 0.02 1.24 0.09 0.74 -1.06 0.00 0.00 177.43 178.46 1mws h THR 33 N 0.17 1.22 -0.54 2.81 2.02 -1.02 0.32 112.91 117.90 1mws h THR 33 Ca -0.09 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1mws h THR 33 Cb 1.69 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1mws h THR 33 CO 0.17 0.26 0.12 0.40 0.37 0.00 0.00 175.52 176.84 1mws h ILE 34 N 0.44 1.23 -0.58 3.11 2.04 -1.10 -1.79 117.51 120.86 1mws h ILE 34 Ca 0.11 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1mws h ILE 34 Cb 0.30 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1mws h ILE 34 CO 0.00 0.31 0.04 0.44 0.00 0.00 0.00 178.15 178.93 1mws h ASP 35 N 0.80 0.93 -0.38 1.72 3.32 -0.70 -1.18 116.42 120.94 1mws h ASP 35 Ca 0.17 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1mws h ASP 35 Cb 0.31 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1mws h ASP 35 CO -0.00 0.97 0.26 0.00 -1.72 0.00 0.00 179.24 178.75 1mws h ALA 36 N 1.13 1.90 -0.01 3.45 0.00 -0.10 0.14 119.26 125.77 1mws h ALA 36 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mws h ALA 36 Cb 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mws h ALA 36 CO 0.02 0.04 -0.00 0.82 0.00 0.00 0.00 179.25 180.13 1mws h ILE 37 N 0.36 1.32 -1.00 0.00 2.04 -0.65 -1.51 117.51 118.07 1mws h ILE 37 Ca 0.16 -0.95 0.13 0.00 1.00 0.00 0.00 64.86 65.20 1mws h ILE 37 Cb 0.18 1.94 -0.09 0.00 -0.74 0.00 0.00 36.82 38.12 1mws h ILE 37 CO -0.04 0.25 0.63 -0.33 0.00 0.00 0.00 178.15 178.66 1mws h GLU 38 N -0.37 0.94 0.00 2.37 5.08 -0.75 -1.53 114.58 120.32 1mws h GLU 38 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1mws h GLU 38 Cb 0.41 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1mws h GLU 38 CO 0.00 0.62 0.00 -0.25 -1.00 0.00 0.00 179.01 178.38 1mws n ASP 39 N -4.64 0.00 -2.55 1.42 8.00 0.43 -4.38 116.55 114.83 1mws n ASP 39 Ca 0.19 0.17 -0.20 0.00 0.71 0.00 0.00 54.79 55.66 1mws n ASP 39 Cb 0.38 -0.37 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1mws n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mws n LYS 40 N -1.37 -3.06 -2.65 -1.24 5.02 -0.58 -4.88 118.16 109.40 1mws n LYS 40 Ca 0.09 0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 56.87 1mws n LYS 40 Cb 0.21 -5.59 0.01 0.00 -0.02 0.00 0.00 35.03 29.64 1mws n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1mws n ASN 41 N -2.02 6.79 -0.35 4.39 5.15 -0.63 -4.84 115.26 123.74 1mws n ASN 41 Ca -0.17 -3.43 0.11 0.00 -0.60 0.00 0.00 54.58 50.48 1mws n ASN 41 Cb 0.65 -1.28 0.29 0.00 -0.53 0.00 0.00 39.78 38.91 1mws n ASN 41 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1mws h PHE 42 N 4.94 1.08 -0.96 1.20 -1.00 -1.90 -1.59 116.94 118.71 1mws h PHE 42 Ca 0.41 0.03 0.08 0.00 2.81 0.00 0.00 57.97 61.31 1mws h PHE 42 Cb 0.47 -0.33 -0.07 0.00 3.61 0.00 0.00 35.95 39.63 1mws h PHE 42 CO 1.24 0.29 0.61 0.87 -1.61 0.00 0.00 178.31 179.71 1mws h LYS 43 N 0.82 1.03 -0.12 1.51 6.56 -1.90 0.15 116.57 124.63 1mws h LYS 43 Ca 0.55 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 60.04 1mws h LYS 43 Cb 0.77 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1mws h LYS 43 CO -0.35 0.68 -0.07 0.37 -2.06 0.00 0.00 179.45 178.02 1mws h GLN 44 N 1.06 0.25 -0.94 3.15 5.75 -1.70 -0.93 115.11 121.75 1mws h GLN 44 Ca 0.44 -0.12 0.17 0.00 -0.15 0.00 0.00 58.65 58.98 1mws h GLN 44 Cb 0.26 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.71 1mws h GLN 44 CO -0.20 0.62 0.54 0.28 -2.65 0.00 0.00 178.83 177.42 1mws h VAL 45 N -0.12 0.73 -0.10 2.39 2.07 -1.01 0.29 116.25 120.51 1mws h VAL 45 Ca 0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1mws h VAL 45 Cb 0.55 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1mws h VAL 45 CO 0.02 0.13 0.02 0.22 0.02 0.00 0.00 177.57 177.99 1mws h TYR 46 N 0.73 0.18 -0.14 1.57 3.20 -0.51 -2.13 116.97 119.86 1mws h TYR 46 Ca 0.53 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.36 1mws h TYR 46 Cb 0.76 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1mws h TYR 46 CO -0.04 0.35 0.02 0.87 -1.64 0.00 0.00 178.16 177.72 1mws h LYS 47 N -0.05 0.20 -0.05 1.82 1.57 0.26 -2.11 116.57 118.21 1mws h LYS 47 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1mws h LYS 47 Cb 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1mws h LYS 47 CO 0.00 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 178.83 1mws n ASP 48 N -4.44 0.96 -4.90 0.86 8.00 0.90 -4.94 116.55 112.99 1mws n ASP 48 Ca -0.01 -1.45 -0.29 0.00 0.71 0.00 0.00 54.79 53.76 1mws n ASP 48 Cb 0.14 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1mws n ASP 48 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mws s SER 49 N -1.79 6.45 0.65 -2.24 0.01 -0.79 -1.06 113.70 114.92 1mws s SER 49 Ca 0.36 0.82 -0.18 0.00 1.31 0.00 0.00 55.95 58.27 1mws s SER 49 Cb 0.18 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 1mws s SER 49 CO 0.30 -0.28 1.15 -1.54 0.41 0.00 0.00 173.24 173.28 1mws n SER 50 N -1.16 1.43 -0.17 2.44 3.41 0.15 -4.69 113.62 115.03 1mws n SER 50 Ca -0.01 0.79 -0.02 0.00 -0.26 0.00 0.00 58.87 59.38 1mws n SER 50 Cb 0.54 -1.48 0.06 0.00 -0.26 0.00 0.00 64.21 63.07 1mws n SER 50 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1mws h TYR 51 N 0.37 -0.16 -0.01 7.33 5.03 -1.96 -1.44 116.97 126.13 1mws h TYR 51 Ca -0.50 0.04 -0.25 0.00 2.58 0.00 0.00 58.73 60.61 1mws h TYR 51 Cb 1.35 0.15 0.01 0.00 1.55 0.00 0.00 36.73 39.79 1mws h TYR 51 CO 0.40 -0.18 -0.99 0.97 -1.32 0.00 0.00 178.16 177.04 1mws h ILE 52 N 0.06 1.32 -0.46 1.81 6.09 -1.97 -1.47 117.51 122.88 1mws h ILE 52 Ca 0.27 -2.29 0.00 0.00 -1.37 0.00 0.00 64.86 61.47 1mws h ILE 52 Cb 0.41 2.36 -0.02 0.00 0.47 0.00 0.00 36.82 40.04 1mws h ILE 52 CO -0.50 0.70 0.29 0.77 -3.07 0.00 0.00 178.15 176.34 1mws h SER 53 N 0.35 0.54 -0.90 2.19 4.64 -1.84 0.38 113.55 118.92 1mws h SER 53 Ca -0.11 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1mws h SER 53 Cb 1.63 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.54 1mws h SER 53 CO 0.19 0.41 0.48 0.11 -0.87 0.00 0.00 176.83 177.16 1mws h LYS 54 N 0.62 1.25 -0.16 4.77 1.57 -1.27 -1.75 116.57 121.60 1mws h LYS 54 Ca 0.17 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1mws h LYS 54 Cb -0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1mws h LYS 54 CO -0.03 0.92 0.03 1.03 -0.57 0.00 0.00 179.45 180.83 1mws h SER 55 N 1.26 0.26 -0.22 0.86 0.87 -0.41 0.22 113.55 116.38 1mws h SER 55 Ca 0.31 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1mws h SER 55 Cb 0.04 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1mws h SER 55 CO -0.05 0.44 0.01 0.44 -0.53 0.00 0.00 176.83 177.15 1mws h ASP 56 N 0.06 0.46 0.00 6.23 3.32 -0.12 -3.34 116.42 123.02 1mws h ASP 56 Ca 0.05 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.69 1mws h ASP 56 Cb 0.29 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1mws h ASP 56 CO 0.00 0.52 -2.26 0.59 -1.72 0.00 0.00 179.24 176.37 1mws n ASN 57 N -4.30 1.48 0.00 6.45 3.02 -0.67 -5.10 115.26 116.14 1mws n ASN 57 Ca 0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1mws n ASN 57 Cb 0.23 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1mws n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mws n GLY 58 N 2.18 -1.64 0.36 7.41 0.00 0.77 -4.35 105.19 109.90 1mws n GLY 58 Ca -0.35 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 1mws n GLY 58 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mws h GLU 59 N 0.00 1.19 0.09 1.61 4.81 -1.97 -2.06 114.58 118.25 1mws h GLU 59 Ca 0.00 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1mws h GLU 59 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1mws h GLU 59 CO 0.00 0.86 -0.04 0.28 -0.73 0.00 0.00 179.01 179.38 1mws h VAL 60 N 1.20 0.95 -0.80 0.32 2.07 -1.96 0.52 116.25 118.55 1mws h VAL 60 Ca 0.30 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1mws h VAL 60 Cb 0.01 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1mws h VAL 60 CO -0.05 0.03 0.50 -0.08 0.02 0.00 0.00 177.57 177.99 1mws h GLU 61 N -0.18 1.08 0.00 1.57 4.57 -1.74 0.64 114.58 120.53 1mws h GLU 61 Ca -0.01 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1mws h GLU 61 Cb 0.15 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1mws h GLU 61 CO 0.02 0.75 -0.37 0.52 -1.18 0.00 0.00 179.01 178.75 1mws h MET 62 N 1.10 0.00 0.00 1.92 2.86 -1.16 -3.34 114.93 116.30 1mws h MET 62 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1mws h MET 62 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1mws h MET 62 CO -0.06 0.37 -0.53 0.25 1.06 0.00 0.00 176.91 178.01 1mws n THR 63 N -3.26 0.00 -0.11 2.22 -2.24 0.18 -4.71 114.28 106.37 1mws n THR 63 Ca 0.02 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1mws n THR 63 Cb 0.63 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.28 1mws n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mws n GLU 64 N -0.98 0.62 -0.27 -0.78 1.02 0.22 -4.46 120.64 116.01 1mws n GLU 64 Ca 0.00 0.11 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1mws n GLU 64 Cb 0.00 -1.44 0.23 0.00 -0.02 0.00 0.00 31.44 30.22 1mws n GLU 64 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1mws h ARG 65 N 0.00 1.02 -0.28 3.49 2.43 -1.46 -2.28 114.38 117.30 1mws h ARG 65 Ca -0.48 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 1mws h ARG 65 Cb 1.78 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 31.09 1mws h ARG 65 CO -0.06 0.68 0.02 -1.35 -1.51 0.00 0.00 179.97 177.74 1mws h PRO 66 N 1.06 0.41 -0.84 0.20 0.11 -1.79 -0.70 132.00 130.45 1mws h PRO 66 Ca 0.33 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 1mws h PRO 66 Cb 0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 1mws h PRO 66 CO -0.09 0.43 0.39 0.82 -0.21 0.00 0.00 178.00 179.33 1mws h ILE 67 N 0.40 1.26 -0.04 4.15 2.04 -1.63 0.86 117.51 124.55 1mws h ILE 67 Ca 0.09 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1mws h ILE 67 Cb 0.24 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1mws h ILE 67 CO 0.00 0.32 -0.01 0.11 0.00 0.00 0.00 178.15 178.58 1mws h LYS 68 N 1.20 0.08 -0.02 2.37 1.57 -1.11 -0.19 116.57 120.48 1mws h LYS 68 Ca 0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1mws h LYS 68 Cb 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1mws h LYS 68 CO -0.03 0.40 -0.01 0.82 -0.57 0.00 0.00 179.45 180.06 1mws h ILE 69 N -0.24 0.97 -0.70 1.86 2.04 -1.06 -1.03 117.51 119.35 1mws h ILE 69 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1mws h ILE 69 Cb 0.37 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1mws h ILE 69 CO 0.00 0.00 0.43 1.88 0.00 0.00 0.00 178.15 180.47 1mws h TYR 70 N -0.01 0.81 -0.65 1.37 0.99 -0.79 -1.75 116.97 116.94 1mws h TYR 70 Ca 0.01 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 1mws h TYR 70 Cb 0.02 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 37.46 1mws h TYR 70 CO -0.09 0.46 0.24 -0.97 -0.00 0.00 0.00 178.16 177.79 1mws h ASN 71 N 0.84 0.92 0.20 3.88 -1.24 -0.76 0.18 115.58 119.60 1mws h ASN 71 Ca 0.28 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 1mws h ASN 71 Cb 0.04 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1mws h ASN 71 CO -0.11 0.86 -0.18 0.77 -1.29 0.00 0.00 177.43 177.47 1mws h SER 72 N 0.93 0.00 0.72 1.15 4.64 -0.56 -1.76 113.55 118.68 1mws h SER 72 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1mws h SER 72 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1mws h SER 72 CO -0.01 0.18 -0.77 0.18 -0.87 0.00 0.00 176.83 175.54 1mws n LEU 73 N -4.25 0.67 -2.67 5.97 4.77 -0.72 -4.96 117.00 115.81 1mws n LEU 73 Ca -0.02 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1mws n LEU 73 Cb 0.25 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1mws n LEU 73 CO 0.36 -0.02 0.08 0.61 -1.33 0.00 0.00 177.39 177.09 1mws n GLY 74 N 1.35 -0.11 3.74 -0.72 0.00 0.57 -2.28 105.19 107.73 1mws n GLY 74 Ca 0.03 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1mws n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mws s VAL 75 N -3.25 3.38 0.00 1.61 -7.23 -0.80 -2.68 120.40 111.44 1mws s VAL 75 Ca 0.02 1.18 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 1mws s VAL 75 Cb -0.01 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1mws s VAL 75 CO 0.50 0.20 0.00 0.29 -0.31 0.00 0.00 175.10 175.78 1mws n LYS 76 N 2.34 0.00 -2.90 4.82 4.01 0.55 -4.97 118.16 122.02 1mws n LYS 76 Ca 0.04 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.51 1mws n LYS 76 Cb 0.44 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.89 1mws n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1mws s ASP 77 N -0.58 6.97 -0.09 4.39 1.11 -1.26 -4.83 116.67 122.38 1mws s ASP 77 Ca 0.00 1.61 0.04 0.00 0.18 0.00 0.00 52.55 54.38 1mws s ASP 77 Cb 0.00 -2.50 -0.00 0.00 1.07 0.00 0.00 42.92 41.48 1mws s ASP 77 CO 0.00 -0.26 -0.24 -0.63 1.18 0.00 0.00 175.17 175.22 1mws s ILE 78 N -2.02 2.12 -0.11 0.77 1.01 -1.26 -1.59 121.20 120.11 1mws s ILE 78 Ca 0.58 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1mws s ILE 78 Cb -0.11 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.59 1mws s ILE 78 CO 0.16 0.56 -0.03 0.20 0.00 0.00 0.00 174.94 175.83 1mws s ASN 79 N 0.20 2.08 -0.43 3.58 -0.87 0.97 -4.79 114.94 115.69 1mws s ASN 79 Ca -0.14 -0.30 -0.07 0.00 -1.57 0.00 0.00 52.86 50.78 1mws s ASN 79 Cb -0.17 -0.67 0.10 0.00 -0.02 0.00 0.00 41.25 40.50 1mws s ASN 79 CO 0.07 -0.17 0.26 -0.63 -2.57 0.00 0.00 177.10 174.06 1mws s ILE 80 N 1.82 3.82 0.45 0.60 1.01 -1.26 -0.90 121.20 126.74 1mws s ILE 80 Ca 0.04 -1.78 0.06 0.00 0.00 0.00 0.00 60.65 58.97 1mws s ILE 80 Cb -0.13 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1mws s ILE 80 CO -0.07 -0.65 0.18 -1.10 0.00 0.00 0.00 174.94 173.30 1mws s GLN 81 N 1.29 2.21 -1.34 2.79 -0.21 -0.52 -4.75 119.66 119.13 1mws s GLN 81 Ca 0.05 -1.98 -0.04 0.00 0.02 0.00 0.00 55.36 53.41 1mws s GLN 81 Cb -0.24 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 31.88 1mws s GLN 81 CO -0.01 -0.24 0.87 -0.25 -2.12 0.00 0.00 175.29 173.53 1mws n ASP 82 N -1.32 -2.68 -4.60 5.90 8.00 -1.26 -0.88 116.55 119.72 1mws n ASP 82 Ca -0.04 -0.74 -0.43 0.00 0.71 0.00 0.00 54.79 54.28 1mws n ASP 82 Cb 0.65 -4.32 -0.02 0.00 -0.02 0.00 0.00 41.12 37.41 1mws n ASP 82 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1mws s ARG 83 N -6.05 3.41 -0.24 -1.24 0.52 -1.26 -4.32 118.95 109.78 1mws s ARG 83 Ca 0.21 1.18 -0.09 0.00 -0.52 0.00 0.00 55.73 56.51 1mws s ARG 83 Cb -0.10 -4.13 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 1mws s ARG 83 CO 0.79 -1.77 0.12 0.15 0.02 0.00 0.00 175.30 174.62 1mws s LYS 84 N 5.40 3.88 -0.28 3.54 1.02 0.34 -4.96 119.74 128.67 1mws s LYS 84 Ca 0.71 -0.37 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 1mws s LYS 84 Cb -0.18 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1mws s LYS 84 CO 0.33 -0.06 0.06 0.42 -0.92 0.00 0.00 175.35 175.18 1mws s ILE 85 N 1.34 3.86 0.18 2.17 1.01 -1.26 -1.25 121.20 127.24 1mws s ILE 85 Ca 0.06 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.13 1mws s ILE 85 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1mws s ILE 85 CO 0.06 0.14 -0.02 -0.54 0.00 0.00 0.00 174.94 174.58 1mws s LYS 86 N 1.49 2.34 0.06 2.79 1.02 -0.13 -5.00 119.74 122.32 1mws s LYS 86 Ca 0.03 -1.16 -0.05 0.00 0.02 0.00 0.00 55.97 54.81 1mws s LYS 86 Cb -0.17 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 1mws s LYS 86 CO 0.02 0.44 0.30 -1.59 -0.92 0.00 0.00 175.35 173.60 1mws s LYS 87 N -2.99 3.58 0.00 1.68 0.00 -1.26 -1.75 119.74 118.99 1mws s LYS 87 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 55.97 56.12 1mws s LYS 87 Cb -0.09 -3.00 0.00 0.00 0.00 0.00 0.00 37.83 34.74 1mws s LYS 87 CO 0.18 0.58 0.00 0.28 0.00 0.00 0.00 175.35 176.39 1mws n VAL 88 N 0.66 0.00 -3.58 1.79 0.31 0.14 -4.87 118.33 112.77 1mws n VAL 88 Ca -0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.20 1mws n VAL 88 Cb 0.52 -0.05 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 1mws n VAL 88 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1mws s SER 89 N -1.17 -0.26 0.42 4.52 0.15 -0.43 -4.91 113.70 112.03 1mws s SER 89 Ca 0.00 -0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.76 1mws s SER 89 Cb 0.00 0.35 1.16 0.00 -1.71 0.00 0.00 66.02 65.81 1mws s SER 89 CO 0.00 -0.59 1.80 0.11 1.20 0.00 0.00 173.24 175.76 1mws h LYS 90 N 2.00 0.34 0.00 5.44 1.57 -2.03 -0.41 116.57 123.47 1mws h LYS 90 Ca -0.21 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1mws h LYS 90 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1mws h LYS 90 CO 0.28 0.22 -0.38 0.09 -0.57 0.00 0.00 179.45 179.10 1mws n ASN 91 N -4.54 1.85 -3.68 0.86 4.13 -1.26 -4.87 115.26 107.75 1mws n ASN 91 Ca 0.23 -3.62 -0.19 0.00 1.68 0.00 0.00 54.58 52.68 1mws n ASN 91 Cb 0.87 -0.49 -0.18 0.00 -1.54 0.00 0.00 39.78 38.44 1mws n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mws s LYS 92 N -3.02 -0.07 -0.01 3.52 2.20 -0.17 -2.21 119.74 119.99 1mws s LYS 92 Ca 0.36 0.37 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1mws s LYS 92 Cb 0.34 -0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 1mws s LYS 92 CO -0.04 -0.31 -0.10 0.15 -0.36 0.00 0.00 175.35 174.69 1mws s LYS 93 N 2.06 0.83 -0.05 4.03 1.02 -0.52 -0.68 119.74 126.43 1mws s LYS 93 Ca 0.03 -0.35 0.04 0.00 0.02 0.00 0.00 55.97 55.72 1mws s LYS 93 Cb -0.12 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1mws s LYS 93 CO -0.03 0.20 -0.17 0.50 -0.92 0.00 0.00 175.35 174.92 1mws s ARG 94 N -0.16 2.54 -0.12 1.68 3.52 -0.72 -0.41 118.95 125.29 1mws s ARG 94 Ca 0.03 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1mws s ARG 94 Cb -0.05 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1mws s ARG 94 CO -0.00 0.54 -0.12 0.08 -0.81 0.00 0.00 175.30 174.99 1mws s VAL 95 N -0.54 1.30 -0.03 7.11 1.01 0.14 -0.95 120.40 128.45 1mws s VAL 95 Ca 0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1mws s VAL 95 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1mws s VAL 95 CO 0.01 0.41 0.08 -1.81 0.00 0.00 0.00 175.10 173.79 1mws s ASP 96 N 1.37 5.75 0.24 3.32 1.01 -0.38 0.45 116.67 128.43 1mws s ASP 96 Ca 0.00 0.21 -0.21 0.00 0.71 0.00 0.00 52.55 53.26 1mws s ASP 96 Cb -0.13 -1.69 0.06 0.00 1.01 0.00 0.00 42.92 42.16 1mws s ASP 96 CO -0.06 0.31 0.91 0.00 0.21 0.00 0.00 175.17 176.54 1mws s ALA 97 N -1.13 -1.33 -0.31 5.23 0.00 -0.60 -0.50 121.76 123.11 1mws s ALA 97 Ca 0.21 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1mws s ALA 97 Cb -0.12 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 1mws s ALA 97 CO 0.11 -1.04 0.20 -0.65 0.00 0.00 0.00 175.76 174.38 1mws s GLN 98 N -2.73 3.58 -0.43 0.00 -1.52 -0.06 -1.03 119.66 117.48 1mws s GLN 98 Ca 0.16 -0.57 -0.13 0.00 -1.95 0.00 0.00 55.36 52.86 1mws s GLN 98 Cb -0.03 -3.69 0.05 0.00 -0.22 0.00 0.00 33.01 29.12 1mws s GLN 98 CO 0.06 -0.36 0.31 -0.47 -0.25 0.00 0.00 175.29 174.58 1mws s TYR 99 N 1.70 3.26 -0.14 0.91 6.04 0.77 -1.43 117.35 128.45 1mws s TYR 99 Ca 0.06 -0.96 -0.02 0.00 0.04 0.00 0.00 57.07 56.19 1mws s TYR 99 Cb -0.17 -2.83 -0.02 0.00 -1.04 0.00 0.00 41.96 37.90 1mws s TYR 99 CO 0.09 -0.72 -0.09 0.15 -1.54 0.00 0.00 175.55 173.44 1mws s LYS 100 N 1.59 3.51 -0.06 4.97 1.02 -0.08 -1.69 119.74 129.00 1mws s LYS 100 Ca 0.04 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1mws s LYS 100 Cb -0.22 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1mws s LYS 100 CO 0.07 0.22 -0.10 0.42 -0.92 0.00 0.00 175.35 175.04 1mws s ILE 101 N 0.36 0.93 -0.15 2.17 1.01 0.18 -0.02 121.20 125.69 1mws s ILE 101 Ca -0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1mws s ILE 101 Cb -0.15 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1mws s ILE 101 CO 0.05 0.31 0.22 -0.54 0.00 0.00 0.00 174.94 174.97 1mws s LYS 102 N 0.69 4.00 0.19 2.79 1.02 -0.62 -0.17 119.74 127.63 1mws s LYS 102 Ca -0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 1mws s LYS 102 Cb -0.15 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1mws s LYS 102 CO 0.02 0.44 0.12 0.95 -0.92 0.00 0.00 175.35 175.96 1mws s THR 103 N -0.10 0.02 0.56 2.17 -4.23 -0.96 -0.33 115.64 112.78 1mws s THR 103 Ca 0.14 -1.98 0.35 0.00 -1.18 0.00 0.00 61.69 59.03 1mws s THR 103 Cb -0.12 -2.40 0.38 0.00 1.34 0.00 0.00 72.50 71.69 1mws s THR 103 CO 0.03 -0.10 2.25 0.78 -0.54 0.00 0.00 174.62 177.04 1mws h ASN 104 N 2.67 0.00 0.63 3.99 2.35 -1.23 -1.92 115.58 122.06 1mws h ASN 104 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1mws h ASN 104 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1mws h ASN 104 CO 0.54 0.02 -0.82 -1.22 -1.65 0.00 0.00 177.43 174.31 1mws n TYR 105 N -3.48 0.38 0.00 1.19 4.02 -1.26 -5.07 117.16 112.94 1mws n TYR 105 Ca -0.03 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1mws n TYR 105 Cb 0.12 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 1mws n TYR 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mws n GLY 106 N 1.36 0.98 3.84 2.72 0.00 -0.72 -4.95 105.19 108.42 1mws n GLY 106 Ca 0.03 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1mws n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mws s ASN 107 N -1.35 6.09 -0.28 1.61 0.01 -1.26 -2.25 114.94 117.51 1mws s ASN 107 Ca 0.00 0.33 -0.09 0.00 -0.71 0.00 0.00 52.86 52.39 1mws s ASN 107 Cb 0.00 -1.89 -0.02 0.00 0.41 0.00 0.00 41.25 39.75 1mws s ASN 107 CO 0.00 0.34 0.14 -0.63 -1.51 0.00 0.00 177.10 175.44 1mws s ILE 108 N -1.12 4.69 -0.35 0.60 1.01 0.76 -4.94 121.20 121.85 1mws s ILE 108 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 1mws s ILE 108 Cb -0.12 -3.29 0.11 0.00 0.01 0.00 0.00 42.46 39.17 1mws s ILE 108 CO 0.10 0.20 0.15 -0.62 0.00 0.00 0.00 174.94 174.77 1mws s ASP 109 N 1.65 3.76 0.07 3.58 3.68 -1.26 0.47 116.67 128.62 1mws s ASP 109 Ca 0.06 -1.95 0.03 0.00 2.13 0.00 0.00 52.55 52.81 1mws s ASP 109 Cb -0.16 -0.81 -0.03 0.00 -1.45 0.00 0.00 42.92 40.46 1mws s ASP 109 CO 0.07 -0.36 -0.09 -0.13 0.13 0.00 0.00 175.17 174.78 1mws s ARG 110 N 1.24 0.70 0.30 4.34 0.52 -0.68 -4.96 118.95 120.41 1mws s ARG 110 Ca 0.13 -0.99 -0.27 0.00 -0.52 0.00 0.00 55.73 54.08 1mws s ARG 110 Cb -0.20 -0.42 -0.09 0.00 0.52 0.00 0.00 34.95 34.76 1mws s ARG 110 CO -0.16 0.07 0.97 -0.80 0.02 0.00 0.00 175.30 175.40 1mws s ASN 111 N -2.07 7.37 0.09 0.23 -0.87 -1.26 -0.16 114.94 118.27 1mws s ASN 111 Ca -0.01 1.94 -0.02 0.00 -1.57 0.00 0.00 52.86 53.19 1mws s ASN 111 Cb -0.06 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.54 1mws s ASN 111 CO -0.00 -0.04 0.04 0.68 -2.57 0.00 0.00 177.10 175.20 1mws s VAL 112 N -1.43 0.16 -0.11 1.60 -7.23 -0.19 -4.74 120.40 108.46 1mws s VAL 112 Ca 0.47 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1mws s VAL 112 Cb -0.23 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1mws s VAL 112 CO 0.29 -0.72 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.56 1mws s GLN 113 N -3.97 2.85 -0.11 4.82 0.74 -1.26 -1.55 119.66 121.18 1mws s GLN 113 Ca 0.14 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 1mws s GLN 113 Cb 0.07 -2.22 -0.02 0.00 1.10 0.00 0.00 33.01 31.94 1mws s GLN 113 CO -0.05 0.10 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.65 1mws s PHE 114 N 0.53 2.91 -0.09 1.67 2.99 0.17 -4.95 117.98 121.22 1mws s PHE 114 Ca -0.15 -0.25 0.01 0.00 0.00 0.00 0.00 56.93 56.54 1mws s PHE 114 Cb -0.17 -1.81 -0.02 0.00 0.00 0.00 0.00 43.02 41.02 1mws s PHE 114 CO 0.05 0.07 -0.11 -0.80 -0.00 0.00 0.00 175.22 174.44 1mws s ASN 115 N -0.16 4.29 0.09 1.36 0.01 -1.26 0.28 114.94 119.55 1mws s ASN 115 Ca 0.02 -0.18 0.08 0.00 -0.71 0.00 0.00 52.86 52.07 1mws s ASN 115 Cb -0.13 -1.29 -0.03 0.00 0.41 0.00 0.00 41.25 40.20 1mws s ASN 115 CO 0.03 0.27 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.32 1mws s PHE 116 N -0.28 1.77 -0.00 2.20 0.40 0.45 0.58 117.98 123.10 1mws s PHE 116 Ca 0.03 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1mws s PHE 116 Cb -0.13 -0.98 -0.00 0.00 0.51 0.00 0.00 43.02 42.42 1mws s PHE 116 CO 0.03 0.19 -0.01 0.14 0.70 0.00 0.00 175.22 176.26 1mws s VAL 117 N -1.12 0.06 -0.10 -0.44 -7.23 0.51 -1.44 120.40 110.65 1mws s VAL 117 Ca 0.06 -0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 59.96 1mws s VAL 117 Cb -0.10 -0.06 -0.03 0.00 0.56 0.00 0.00 36.38 36.75 1mws s VAL 117 CO 0.04 0.02 0.76 -0.75 -0.31 0.00 0.00 175.10 174.85 1mws s LYS 118 N -0.02 4.39 -0.06 4.82 2.20 -0.94 0.69 119.74 130.82 1mws s LYS 118 Ca 0.00 0.95 0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1mws s LYS 118 Cb -0.00 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 1mws s LYS 118 CO -0.00 -0.08 -0.02 0.39 -0.36 0.00 0.00 175.35 175.28 1mws n GLU 119 N 4.30 1.72 -2.78 4.03 1.02 -1.04 -4.88 120.64 123.01 1mws n GLU 119 Ca 0.01 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1mws n GLU 119 Cb 0.50 -1.14 0.08 0.00 -0.02 0.00 0.00 31.44 30.86 1mws n GLU 119 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1mws n ASP 120 N -2.43 -2.00 0.00 1.62 5.75 -1.26 -4.96 116.55 113.27 1mws n ASP 120 Ca -0.10 -3.62 0.00 0.00 -0.01 0.00 0.00 54.79 51.06 1mws n ASP 120 Cb 0.65 1.64 0.00 0.00 -1.03 0.00 0.00 41.12 42.38 1mws n ASP 120 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mws n GLY 121 N 0.38 2.39 3.88 6.12 0.00 -1.26 -4.99 105.19 111.71 1mws n GLY 121 Ca 0.08 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1mws n GLY 121 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1mws s MET 122 N 0.00 3.72 -0.23 1.61 0.23 -1.26 -5.01 119.30 118.36 1mws s MET 122 Ca 0.00 0.10 -0.28 0.00 -1.03 0.00 0.00 55.69 54.48 1mws s MET 122 Cb 0.00 -2.91 0.01 0.00 -1.53 0.00 0.00 34.83 30.40 1mws s MET 122 CO 0.00 0.50 1.01 -1.58 -2.03 0.00 0.00 175.02 172.92 1mws s TRP 123 N -1.53 3.34 0.03 3.16 0.52 -1.26 -2.50 118.94 120.70 1mws s TRP 123 Ca 0.37 1.43 0.00 0.00 0.02 0.00 0.00 56.10 57.92 1mws s TRP 123 Cb -0.13 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 1mws s TRP 123 CO 0.20 -0.46 0.12 0.15 0.02 0.00 0.00 176.95 176.99 1mws s LYS 124 N 3.10 3.16 -0.01 4.98 -0.14 0.22 -4.84 119.74 126.20 1mws s LYS 124 Ca 0.43 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 54.24 1mws s LYS 124 Cb -0.15 -2.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 1mws s LYS 124 CO 0.07 0.63 1.10 -1.17 -0.76 0.00 0.00 175.35 175.21 1mws s LEU 125 N -2.06 4.33 -1.24 3.17 0.20 -0.22 -0.36 118.68 122.49 1mws s LEU 125 Ca 0.27 1.78 -0.15 0.00 0.69 0.00 0.00 54.13 56.72 1mws s LEU 125 Cb -0.12 -3.57 0.13 0.00 -0.43 0.00 0.00 46.19 42.20 1mws s LEU 125 CO 0.19 -0.42 1.54 -0.62 -0.29 0.00 0.00 176.35 176.75 1mws s ASP 126 N 1.14 6.98 0.32 3.68 3.68 0.20 0.30 116.67 132.97 1mws s ASP 126 Ca 0.54 -2.78 -0.29 0.00 2.13 0.00 0.00 52.55 52.15 1mws s ASP 126 Cb -0.24 -2.47 -0.12 0.00 -1.45 0.00 0.00 42.92 38.64 1mws s ASP 126 CO 0.25 -0.91 1.38 1.87 0.13 0.00 0.00 175.17 177.89 1mws n TRP 127 N 6.68 2.44 -3.88 -5.34 -0.00 -1.26 -4.50 117.44 111.58 1mws n TRP 127 Ca 0.41 0.48 -0.10 0.00 -0.00 0.00 0.00 57.50 58.30 1mws n TRP 127 Cb 0.44 -2.46 -0.06 0.00 -0.00 0.00 0.00 31.31 29.23 1mws n TRP 127 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 1mws s ASP 128 N -0.09 -0.05 0.28 5.87 3.84 -1.26 -4.85 116.67 120.41 1mws s ASP 128 Ca 0.58 -0.72 0.15 0.00 -0.00 0.00 0.00 52.55 52.56 1mws s ASP 128 Cb -0.56 0.47 0.83 0.00 -1.38 0.00 0.00 42.92 42.28 1mws s ASP 128 CO 0.59 -0.93 1.41 1.41 -0.00 0.00 0.00 175.17 177.65 1mws n HIS 129 N -0.24 0.52 0.98 2.11 8.25 -1.26 -0.65 115.22 124.92 1mws n HIS 129 Ca -0.09 0.27 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 1mws n HIS 129 Cb 0.63 -0.83 0.56 0.00 1.12 0.00 0.00 29.99 31.46 1mws n HIS 129 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1mws n SER 130 N -2.06 0.00 0.20 0.41 7.64 -1.10 -1.74 113.62 116.96 1mws n SER 130 Ca -0.01 0.24 0.08 0.00 1.01 0.00 0.00 58.87 60.19 1mws n SER 130 Cb 0.17 -0.40 0.28 0.00 -1.01 0.00 0.00 64.21 63.25 1mws n SER 130 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1mws h VAL 131 N 0.00 0.53 0.00 0.44 2.07 -1.22 -3.28 116.25 114.79 1mws h VAL 131 Ca 0.00 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1mws h VAL 131 Cb 0.33 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1mws h VAL 131 CO 0.00 0.26 -0.56 0.40 0.02 0.00 0.00 177.57 177.69 1mws h ILE 132 N 0.00 0.15 -3.28 4.57 2.04 -1.51 -3.47 117.51 116.00 1mws h ILE 132 Ca -0.00 -1.18 -0.49 0.00 1.00 0.00 0.00 64.86 64.18 1mws h ILE 132 Cb 0.98 0.35 -0.36 0.00 -0.74 0.00 0.00 36.82 37.06 1mws h ILE 132 CO 0.03 0.05 -0.80 -0.63 0.00 0.00 0.00 178.15 176.81 1mws s ILE 133 N -2.19 0.87 0.13 -0.67 -1.09 -0.94 -5.09 121.20 112.23 1mws s ILE 133 Ca -0.15 -0.24 -0.32 0.00 -2.23 0.00 0.00 60.65 57.71 1mws s ILE 133 Cb 0.02 -0.89 -0.12 0.00 -1.58 0.00 0.00 42.46 39.89 1mws s ILE 133 CO 0.25 0.33 1.76 -0.81 -1.23 0.00 0.00 174.94 175.25 1mws n PRO 134 N 4.60 2.62 0.00 2.79 -0.04 -1.23 -1.45 135.00 142.28 1mws n PRO 134 Ca -0.16 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1mws n PRO 134 Cb 0.50 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1mws n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mws n GLY 135 N 4.02 2.77 3.78 0.55 0.00 -1.26 -5.00 105.19 110.05 1mws n GLY 135 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1mws n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1mws s MET 136 N -0.37 3.48 0.34 1.61 0.00 -0.53 -4.96 119.30 118.88 1mws s MET 136 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 55.69 57.29 1mws s MET 136 Cb 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 34.83 32.76 1mws s MET 136 CO 0.00 -0.74 0.11 1.04 0.00 0.00 0.00 175.02 175.43 1mws n GLN 137 N -1.16 0.67 -1.99 4.11 6.02 -1.26 -2.73 117.38 121.04 1mws n GLN 137 Ca 0.11 -2.83 -0.33 0.00 -0.01 0.00 0.00 57.00 53.93 1mws n GLN 137 Cb 0.51 1.47 0.02 0.00 1.02 0.00 0.00 30.24 33.27 1mws n GLN 137 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1mws s LYS 138 N -3.29 3.12 -1.29 -1.09 0.00 -1.26 -3.75 119.74 112.19 1mws s LYS 138 Ca 0.16 1.39 -0.07 0.00 0.00 0.00 0.00 55.97 57.44 1mws s LYS 138 Cb 0.01 -1.99 0.01 0.00 0.00 0.00 0.00 37.83 35.85 1mws s LYS 138 CO 0.11 -0.99 1.12 -0.25 0.00 0.00 0.00 175.35 175.34 1mws n ASP 139 N -1.97 -5.56 -4.21 0.03 8.00 -1.26 -4.95 116.55 106.63 1mws n ASP 139 Ca 0.10 -0.54 -0.12 0.00 0.71 0.00 0.00 54.79 54.94 1mws n ASP 139 Cb 0.52 -4.90 -0.10 0.00 -0.02 0.00 0.00 41.12 36.61 1mws n ASP 139 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mws s GLN 140 N -6.12 1.12 0.13 -1.24 -0.21 -1.25 -1.09 119.66 111.00 1mws s GLN 140 Ca 0.48 -1.56 -0.08 0.00 0.02 0.00 0.00 55.36 54.21 1mws s GLN 140 Cb -0.21 0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 1mws s GLN 140 CO 0.71 -0.27 0.23 -1.54 -2.12 0.00 0.00 175.29 172.29 1mws s SER 141 N -3.15 0.10 -0.23 5.90 1.04 0.04 -4.83 113.70 112.56 1mws s SER 141 Ca 0.30 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1mws s SER 141 Cb 0.07 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1mws s SER 141 CO 0.07 -0.81 0.46 -0.63 0.98 0.00 0.00 173.24 173.31 1mws s ILE 142 N -3.92 5.13 0.02 -1.02 -1.09 -1.26 -0.13 121.20 118.93 1mws s ILE 142 Ca 0.12 0.79 0.01 0.00 -2.23 0.00 0.00 60.65 59.34 1mws s ILE 142 Cb 0.04 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1mws s ILE 142 CO -0.05 0.17 0.06 -1.00 -1.23 0.00 0.00 174.94 172.89 1mws s HIS 143 N 1.82 3.20 -0.24 3.97 3.76 0.27 -4.94 115.29 123.13 1mws s HIS 143 Ca 0.20 0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1mws s HIS 143 Cb -0.15 -1.68 0.07 0.00 1.11 0.00 0.00 32.58 31.92 1mws s HIS 143 CO 0.09 0.52 -0.01 0.42 -0.85 0.00 0.00 174.74 174.91 1mws s ILE 144 N -1.23 1.24 0.02 0.60 1.01 -1.26 -0.82 121.20 120.76 1mws s ILE 144 Ca 0.24 -1.11 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1mws s ILE 144 Cb -0.12 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1mws s ILE 144 CO 0.16 -0.20 -0.11 -1.61 0.00 0.00 0.00 174.94 173.17 1mws s GLU 145 N 1.52 2.38 0.00 2.79 0.41 0.12 -4.95 118.70 120.96 1mws s GLU 145 Ca -0.02 -0.82 -0.16 0.00 -0.41 0.00 0.00 54.97 53.56 1mws s GLU 145 Cb -0.18 -2.39 -0.06 0.00 -1.78 0.00 0.00 34.13 29.72 1mws s GLU 145 CO -0.08 0.58 0.45 1.21 -0.49 0.00 0.00 175.26 176.92 1mws s ASN 146 N -1.44 6.86 -0.56 -0.19 3.84 -1.26 -0.61 114.94 121.57 1mws s ASN 146 Ca 0.16 1.02 -0.05 0.00 0.21 0.00 0.00 52.86 54.20 1mws s ASN 146 Cb -0.11 -2.28 0.15 0.00 -0.55 0.00 0.00 41.25 38.46 1mws s ASN 146 CO 0.07 0.28 0.40 -0.76 -2.79 0.00 0.00 177.10 174.30 1mws s LEU 147 N -0.91 5.50 0.30 3.21 1.43 0.35 -4.89 118.68 123.67 1mws s LEU 147 Ca 0.25 -2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 50.61 1mws s LEU 147 Cb -0.17 -1.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.02 1mws s LEU 147 CO 0.14 -0.50 1.57 -0.54 0.23 0.00 0.00 176.35 177.25 1mws s LYS 148 N 0.54 4.13 0.40 1.70 3.01 -1.26 0.13 119.74 128.39 1mws s LYS 148 Ca 0.13 2.55 0.08 0.00 -1.01 0.00 0.00 55.97 57.71 1mws s LYS 148 Cb -0.21 -3.03 -0.03 0.00 -1.01 0.00 0.00 37.83 33.55 1mws s LYS 148 CO -0.04 -0.60 0.29 -1.54 0.51 0.00 0.00 175.35 173.97 1mws s SER 149 N 0.41 4.86 0.01 2.83 1.04 -1.26 -4.87 113.70 116.72 1mws s SER 149 Ca 0.62 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1mws s SER 149 Cb -0.47 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.02 1mws s SER 149 CO 0.49 -0.54 -0.12 -1.61 0.98 0.00 0.00 173.24 172.44 1mws s GLU 150 N -4.02 0.91 0.55 4.02 2.02 -1.26 -4.92 118.70 116.00 1mws s GLU 150 Ca 0.44 -0.52 -0.21 0.00 0.02 0.00 0.00 54.97 54.70 1mws s GLU 150 Cb -0.02 -0.88 -0.05 0.00 0.10 0.00 0.00 34.13 33.28 1mws s GLU 150 CO 0.26 0.23 1.27 0.50 0.02 0.00 0.00 175.26 177.54 1mws s ARG 151 N -0.57 3.19 0.85 1.61 3.52 -1.26 0.56 118.95 126.85 1mws s ARG 151 Ca 0.03 2.01 -0.10 0.00 -0.13 0.00 0.00 55.73 57.53 1mws s ARG 151 Cb -0.06 -2.17 0.10 0.00 -1.56 0.00 0.00 34.95 31.26 1mws s ARG 151 CO 0.00 -1.08 1.11 0.20 -0.81 0.00 0.00 175.30 174.73 1mws s GLY 152 N -1.25 1.68 0.46 8.12 0.00 -0.37 -4.61 107.32 111.34 1mws s GLY 152 Ca 0.72 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.79 1mws s GLY 152 CO 0.40 0.78 0.74 0.54 0.00 0.00 0.00 173.10 175.55 1mws s LYS 153 N -4.79 3.42 -0.17 2.90 1.02 -1.26 -4.85 119.74 116.00 1mws s LYS 153 Ca 0.64 -0.00 -0.00 0.00 0.02 0.00 0.00 55.97 56.62 1mws s LYS 153 Cb -0.20 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 1mws s LYS 153 CO 0.57 -0.19 -0.15 0.42 -0.92 0.00 0.00 175.35 175.08 1mws s ILE 154 N -2.66 2.60 0.16 2.17 1.01 -0.35 -0.66 121.20 123.47 1mws s ILE 154 Ca 0.47 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.44 1mws s ILE 154 Cb -0.10 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1mws s ILE 154 CO 0.42 0.51 -0.21 -0.76 0.00 0.00 0.00 174.94 174.90 1mws s LEU 155 N 1.06 2.56 0.88 2.97 1.43 0.37 -0.19 118.68 127.75 1mws s LEU 155 Ca -0.01 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 1mws s LEU 155 Cb -0.14 -1.34 0.19 0.00 0.03 0.00 0.00 46.19 44.92 1mws s LEU 155 CO -0.04 0.14 1.20 1.51 0.23 0.00 0.00 176.35 179.39 1mws s ASP 156 N -2.45 3.49 0.64 2.29 3.84 0.40 0.24 116.67 125.11 1mws s ASP 156 Ca 0.19 -0.13 0.39 0.00 -0.00 0.00 0.00 52.55 53.01 1mws s ASP 156 Cb -0.09 0.01 2.14 0.00 -1.38 0.00 0.00 42.92 43.60 1mws s ASP 156 CO 0.10 -2.46 2.20 0.08 -0.00 0.00 0.00 175.17 175.09 1mws h ARG 157 N -1.21 0.00 -0.17 2.11 0.11 0.65 -1.56 114.38 114.31 1mws h ARG 157 Ca -0.40 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.63 1mws h ARG 157 Cb 1.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 1mws h ARG 157 CO 0.35 0.00 -0.11 0.09 0.10 0.00 0.00 179.97 180.40 1mws n ASN 158 N -2.95 2.68 -0.23 0.08 3.02 -1.26 -4.95 115.26 111.64 1mws n ASN 158 Ca -0.03 -3.41 -0.03 0.00 -0.03 0.00 0.00 54.58 51.08 1mws n ASN 158 Cb 0.14 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 1mws n ASN 158 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1mws n ASN 159 N -1.05 -4.02 -4.72 6.41 3.02 -0.59 -5.00 115.26 109.32 1mws n ASN 159 Ca 0.23 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 1mws n ASN 159 Cb 0.83 -1.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1mws n ASN 159 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mws s VAL 160 N -1.90 3.40 -0.11 2.41 1.01 -1.26 -4.70 120.40 119.25 1mws s VAL 160 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1mws s VAL 160 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1mws s VAL 160 CO 0.00 0.10 1.15 -1.61 0.00 0.00 0.00 175.10 174.74 1mws s GLU 161 N 0.84 4.33 -0.10 2.72 2.02 -1.26 -0.45 118.70 126.79 1mws s GLU 161 Ca 0.62 1.57 0.18 0.00 0.02 0.00 0.00 54.97 57.36 1mws s GLU 161 Cb -0.36 -3.61 -0.26 0.00 0.10 0.00 0.00 34.13 30.01 1mws s GLU 161 CO 0.32 -0.49 0.25 1.28 0.02 0.00 0.00 175.26 176.63 1mws n LEU 162 N 5.57 0.00 -3.67 1.80 4.77 0.74 -4.49 117.00 121.72 1mws n LEU 162 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1mws n LEU 162 Cb 0.46 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.65 1mws n LEU 162 CO 0.54 0.21 -0.07 0.00 -1.33 0.00 0.00 177.39 176.75 1mws s ALA 163 N -2.90 -0.79 0.00 -1.18 0.00 -0.75 -3.89 121.76 112.25 1mws s ALA 163 Ca -0.08 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1mws s ALA 163 Cb 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1mws s ALA 163 CO 0.77 -0.61 0.00 0.27 0.00 0.00 0.00 175.76 176.19 1mws n ASN 164 N 5.18 0.00 -4.45 0.00 0.23 -0.40 -1.21 115.26 114.61 1mws n ASN 164 Ca -0.10 -0.62 -0.44 0.00 -0.53 0.00 0.00 54.58 52.90 1mws n ASN 164 Cb 0.50 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 1mws n ASN 164 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1mws s THR 165 N -2.18 5.08 0.00 5.53 2.01 -1.26 0.20 115.64 125.02 1mws s THR 165 Ca 0.00 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1mws s THR 165 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1mws s THR 165 CO 0.00 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 173.99 1mws n GLY 166 N 5.15 3.98 3.13 4.40 0.00 0.15 -4.87 105.19 117.13 1mws n GLY 166 Ca -0.09 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 1mws n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mws s THR 167 N 3.87 0.97 0.28 2.61 2.01 -1.26 -2.31 115.64 121.81 1mws s THR 167 Ca 0.00 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 60.85 1mws s THR 167 Cb 0.00 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1mws s THR 167 CO 0.00 -0.14 0.41 0.00 -0.69 0.00 0.00 174.62 174.20 1mws s ALA 168 N -1.06 0.46 -0.12 7.40 0.00 -0.49 -4.81 121.76 123.14 1mws s ALA 168 Ca -0.02 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1mws s ALA 168 Cb -0.09 1.17 0.01 0.00 0.00 0.00 0.00 23.12 24.21 1mws s ALA 168 CO 0.01 -0.78 -0.19 0.71 0.00 0.00 0.00 175.76 175.51 1mws s TYR 169 N -3.64 2.36 -0.04 0.00 1.51 0.19 -0.97 117.35 116.75 1mws s TYR 169 Ca 0.29 -1.13 -0.25 0.00 -1.01 0.00 0.00 57.07 54.97 1mws s TYR 169 Cb 0.01 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1mws s TYR 169 CO 0.14 -0.53 0.76 -1.21 -1.11 0.00 0.00 175.55 173.60 1mws s GLU 170 N 0.82 4.47 -0.13 -0.62 2.02 -0.28 0.27 118.70 125.24 1mws s GLU 170 Ca -0.08 1.00 -0.03 0.00 0.02 0.00 0.00 54.97 55.87 1mws s GLU 170 Cb -0.16 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 1mws s GLU 170 CO -0.00 0.07 -0.02 0.42 0.02 0.00 0.00 175.26 175.74 1mws s ILE 171 N 0.74 4.06 0.00 -1.63 1.01 0.20 -0.54 121.20 125.04 1mws s ILE 171 Ca 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1mws s ILE 171 Cb -0.19 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1mws s ILE 171 CO 0.20 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1mws n GLY 172 N 3.09 2.31 3.19 6.18 0.00 0.57 0.15 105.19 120.68 1mws n GLY 172 Ca -0.18 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1mws n GLY 172 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mws s ILE 173 N -2.98 1.58 -0.33 -0.61 1.01 0.12 -0.80 121.20 119.20 1mws s ILE 173 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1mws s ILE 173 Cb 0.00 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1mws s ILE 173 CO 0.00 0.45 0.11 -0.69 0.00 0.00 0.00 174.94 174.81 1mws s VAL 174 N -0.23 3.90 0.27 2.92 1.01 -1.26 -0.95 120.40 126.06 1mws s VAL 174 Ca 0.02 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1mws s VAL 174 Cb -0.10 -3.15 0.38 0.00 0.00 0.00 0.00 36.38 33.50 1mws s VAL 174 CO 0.01 -0.11 1.37 -2.65 0.00 0.00 0.00 175.10 173.72 1mws n PRO 175 N 4.84 -0.07 -0.00 2.72 -0.02 -1.23 -1.17 135.00 140.07 1mws n PRO 175 Ca -0.13 1.33 0.08 0.00 -2.02 0.00 0.00 63.50 62.75 1mws n PRO 175 Cb 0.46 -2.08 0.48 0.00 -0.02 0.00 0.00 33.50 32.34 1mws n PRO 175 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1mws h LYS 176 N 0.00 0.42 0.05 -0.52 1.57 -1.76 -3.11 116.57 113.24 1mws h LYS 176 Ca 0.51 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.98 1mws h LYS 176 Cb 1.00 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1mws h LYS 176 CO -0.84 0.28 -1.51 -0.91 -0.57 0.00 0.00 179.45 175.89 1mws h ASN 177 N 0.43 0.18 -3.01 0.86 2.35 -1.45 -3.47 115.58 111.47 1mws h ASN 177 Ca 0.18 -0.28 -0.61 0.00 -0.55 0.00 0.00 56.30 55.04 1mws h ASN 177 Cb 0.18 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1mws h ASN 177 CO -0.04 1.24 -0.23 -0.69 -1.65 0.00 0.00 177.43 176.05 1mws s VAL 178 N -2.63 5.09 -0.30 2.81 1.01 -1.14 -4.83 120.40 120.43 1mws s VAL 178 Ca -0.06 0.78 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 1mws s VAL 178 Cb 0.08 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1mws s VAL 178 CO 0.83 0.56 0.90 -0.55 0.00 0.00 0.00 175.10 176.84 1mws s SER 179 N -0.89 6.80 0.00 3.32 0.15 -1.26 -4.88 113.70 116.94 1mws s SER 179 Ca 0.23 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.79 1mws s SER 179 Cb -0.16 -2.46 0.15 0.00 -1.71 0.00 0.00 66.02 61.83 1mws s SER 179 CO 0.12 -0.69 0.77 1.17 1.20 0.00 0.00 173.24 175.81 1mws n LYS 180 N 6.40 0.06 0.06 5.44 4.81 -1.26 -0.04 118.16 133.63 1mws n LYS 180 Ca 0.07 0.13 0.12 0.00 -0.87 0.00 0.00 58.31 57.77 1mws n LYS 180 Cb 0.48 -1.50 0.48 0.00 0.02 0.00 0.00 35.03 34.50 1mws n LYS 180 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1mws n LYS 181 N -1.14 0.13 -0.14 1.64 4.81 -1.26 -3.31 118.16 118.88 1mws n LYS 181 Ca 0.02 0.18 0.06 0.00 -0.87 0.00 0.00 58.31 57.70 1mws n LYS 181 Cb 0.01 -1.67 0.13 0.00 0.02 0.00 0.00 35.03 33.52 1mws n LYS 181 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1mws n ASP 182 N -1.91 2.65 0.13 3.14 9.92 0.94 -4.75 116.55 126.68 1mws n ASP 182 Ca 0.05 -2.65 -0.13 0.00 -0.53 0.00 0.00 54.79 51.53 1mws n ASP 182 Cb 0.33 -0.31 -0.07 0.00 -0.64 0.00 0.00 41.12 40.43 1mws n ASP 182 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1mws h TYR 183 N 0.64 -0.40 -0.46 1.24 -1.99 -1.69 0.58 116.97 114.88 1mws h TYR 183 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1mws h TYR 183 Cb 0.93 0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.79 1mws h TYR 183 CO 0.13 -0.24 0.30 1.57 -0.00 0.00 0.00 178.16 179.92 1mws h LYS 184 N -0.35 0.59 -0.93 4.88 2.10 -1.86 0.41 116.57 121.42 1mws h LYS 184 Ca -0.00 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.64 1mws h LYS 184 Cb 0.32 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.47 1mws h LYS 184 CO -0.03 0.39 0.60 0.00 -2.00 0.00 0.00 179.45 178.42 1mws h ALA 185 N 1.17 1.22 0.12 0.07 0.00 -1.80 0.93 119.26 120.98 1mws h ALA 185 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1mws h ALA 185 Cb -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1mws h ALA 185 CO -0.04 0.48 -0.06 0.82 0.00 0.00 0.00 179.25 180.45 1mws h ILE 186 N 1.17 1.05 -0.74 0.00 2.04 0.11 -2.78 117.51 118.36 1mws h ILE 186 Ca 0.37 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.54 1mws h ILE 186 Cb -0.01 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1mws h ILE 186 CO -0.12 0.18 0.40 0.00 0.00 0.00 0.00 178.15 178.61 1mws h ALA 187 N 0.28 1.03 -0.23 1.87 0.00 0.02 -2.72 119.26 119.51 1mws h ALA 187 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1mws h ALA 187 Cb 0.42 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1mws h ALA 187 CO 0.03 0.03 -0.24 -0.22 0.00 0.00 0.00 179.25 178.85 1mws h LYS 188 N 0.69 -0.24 0.00 0.00 1.63 -0.74 -0.67 116.57 117.24 1mws h LYS 188 Ca 0.35 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1mws h LYS 188 Cb 0.32 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1mws h LYS 188 CO -0.24 -0.16 0.00 1.49 -3.45 0.00 0.00 179.45 177.09 1mws h GLU 189 N -0.25 0.00 -0.26 1.90 4.57 -1.20 -3.07 114.58 116.27 1mws h GLU 189 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1mws h GLU 189 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1mws h GLU 189 CO -0.38 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 178.73 1mws n LEU 190 N -2.69 2.64 -3.56 1.64 4.77 -0.72 -4.99 117.00 114.09 1mws n LEU 190 Ca 0.01 -1.80 -0.26 0.00 -0.03 0.00 0.00 56.01 53.93 1mws n LEU 190 Cb 0.24 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1mws n LEU 190 CO 0.23 0.64 0.12 -1.20 -1.33 0.00 0.00 177.39 175.85 1mws n SER 191 N 0.45 -5.60 -4.40 -1.43 7.64 -0.34 -4.97 113.62 104.97 1mws n SER 191 Ca 0.10 -0.55 -0.21 0.00 1.01 0.00 0.00 58.87 59.22 1mws n SER 191 Cb 0.38 -4.46 -0.10 0.00 -1.01 0.00 0.00 64.21 59.02 1mws n SER 191 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1mws s ILE 192 N -3.25 1.94 0.46 0.44 -4.36 -0.72 -4.86 121.20 110.85 1mws s ILE 192 Ca 0.54 -2.25 -0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1mws s ILE 192 Cb -0.25 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1mws s ILE 192 CO 0.67 -0.47 0.78 -0.94 0.24 0.00 0.00 174.94 175.22 1mws s SER 193 N -3.41 6.31 0.23 4.36 1.04 -1.26 -4.13 113.70 116.84 1mws s SER 193 Ca 0.26 0.97 -0.00 0.00 0.48 0.00 0.00 55.95 57.66 1mws s SER 193 Cb -0.01 -2.26 0.23 0.00 0.10 0.00 0.00 66.02 64.08 1mws s SER 193 CO 0.10 -0.54 1.59 -0.33 0.98 0.00 0.00 173.24 175.05 1mws h GLU 194 N 0.44 0.51 -0.80 4.02 5.08 -1.94 -2.53 114.58 119.36 1mws h GLU 194 Ca -0.47 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 57.66 1mws h GLU 194 Cb 1.20 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1mws h GLU 194 CO 0.62 0.85 0.53 0.22 -1.00 0.00 0.00 179.01 180.23 1mws h ASP 195 N 0.42 0.85 0.32 1.42 -0.00 -1.99 0.35 116.42 117.79 1mws h ASP 195 Ca 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.04 1mws h ASP 195 Cb 0.92 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 40.06 1mws h ASP 195 CO 0.08 0.58 -0.16 0.22 -0.00 0.00 0.00 179.24 179.96 1mws h TYR 196 N 0.98 -0.40 -0.43 0.28 3.20 -1.86 -0.42 116.97 118.32 1mws h TYR 196 Ca 0.32 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.27 1mws h TYR 196 Cb 0.06 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 1mws h TYR 196 CO -0.00 -0.11 -0.28 0.82 -1.64 0.00 0.00 178.16 176.95 1mws h ILE 197 N -0.67 0.28 -0.66 1.81 2.04 -1.05 0.24 117.51 119.50 1mws h ILE 197 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1mws h ILE 197 Cb 0.47 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1mws h ILE 197 CO 0.07 0.00 0.32 0.50 0.00 0.00 0.00 178.15 179.04 1mws h LYS 198 N -0.20 0.55 -0.39 2.37 3.64 -0.88 -0.19 116.57 121.47 1mws h LYS 198 Ca 0.19 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1mws h LYS 198 Cb 0.51 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1mws h LYS 198 CO -0.55 0.36 0.03 0.37 -2.27 0.00 0.00 179.45 177.40 1mws h GLN 199 N 0.57 0.60 -0.02 1.90 4.15 0.77 -2.83 115.11 120.26 1mws h GLN 199 Ca 0.32 -0.13 -0.25 0.00 0.77 0.00 0.00 58.65 59.36 1mws h GLN 199 Cb 0.31 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.92 1mws h GLN 199 CO -0.25 0.60 -0.98 1.96 -1.93 0.00 0.00 178.83 178.24 1mws h GLN 200 N 0.58 0.62 0.00 1.69 1.08 0.35 -3.13 115.11 116.29 1mws h GLN 200 Ca 0.12 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1mws h GLN 200 Cb 0.33 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1mws h GLN 200 CO 0.01 1.24 0.00 -1.33 -0.95 0.00 0.00 178.83 177.80 1mws n MET 201 N -3.83 0.26 -0.41 1.46 2.81 -0.17 -3.27 117.12 113.97 1mws n MET 201 Ca -0.09 0.12 0.08 0.00 -1.81 0.00 0.00 57.70 56.00 1mws n MET 201 Cb 0.85 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 32.11 1mws n MET 201 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1mws n ASP 202 N -1.26 3.79 -4.75 7.83 8.00 -1.08 -4.87 116.55 124.21 1mws n ASP 202 Ca 0.08 -2.67 -0.41 0.00 0.71 0.00 0.00 54.79 52.51 1mws n ASP 202 Cb 0.12 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 1mws n ASP 202 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mws s GLN 203 N -2.21 4.54 0.41 -1.24 -0.21 -1.20 -4.89 119.66 114.86 1mws s GLN 203 Ca 0.38 1.86 0.21 0.00 0.02 0.00 0.00 55.36 57.83 1mws s GLN 203 Cb 0.28 -3.22 1.17 0.00 1.00 0.00 0.00 33.01 32.24 1mws s GLN 203 CO 0.13 0.01 1.76 -2.95 -2.12 0.00 0.00 175.29 172.11 1mws h ASN 204 N 4.71 0.39 0.01 5.90 -1.07 -1.94 0.82 115.58 124.41 1mws h ASN 204 Ca -0.45 0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.00 1mws h ASN 204 Cb 1.21 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1mws h ASN 204 CO 0.72 0.05 0.00 -2.67 0.07 0.00 0.00 177.43 175.60 1mws n TRP 205 N -4.61 0.00 -2.84 4.14 4.27 -1.26 -4.74 117.44 112.41 1mws n TRP 205 Ca 0.27 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.46 1mws n TRP 205 Cb 0.96 -0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.86 1mws n TRP 205 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1mws s VAL 206 N -2.02 4.85 0.39 -1.67 1.01 0.28 -5.00 120.40 118.24 1mws s VAL 206 Ca 0.27 1.74 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1mws s VAL 206 Cb 0.13 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1mws s VAL 206 CO 0.22 0.01 0.11 -1.10 0.00 0.00 0.00 175.10 174.34 1mws s GLN 207 N 2.17 2.15 0.55 2.72 -1.52 -1.26 -4.97 119.66 119.49 1mws s GLN 207 Ca 0.41 -1.86 0.24 0.00 -1.95 0.00 0.00 55.36 52.20 1mws s GLN 207 Cb -0.17 -1.92 1.46 0.00 -0.22 0.00 0.00 33.01 32.16 1mws s GLN 207 CO 0.13 -0.04 2.07 0.22 -0.25 0.00 0.00 175.29 177.42 1mws h ASP 208 N 1.57 0.00 -0.54 5.90 3.58 -1.99 -1.78 116.42 123.17 1mws h ASP 208 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1mws h ASP 208 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1mws h ASP 208 CO 0.71 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.17 1mws n ASP 209 N -4.21 3.49 -4.72 2.28 3.85 -1.26 -1.99 116.55 113.99 1mws n ASP 209 Ca 0.04 -1.98 -0.41 0.00 -0.71 0.00 0.00 54.79 51.72 1mws n ASP 209 Cb 0.39 -0.36 -0.04 0.00 -1.35 0.00 0.00 41.12 39.76 1mws n ASP 209 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1mws s THR 210 N -1.04 4.74 0.12 2.12 2.01 -0.67 -4.94 115.64 117.97 1mws s THR 210 Ca 0.38 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 64.10 1mws s THR 210 Cb 0.20 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 1mws s THR 210 CO 0.26 0.23 1.08 0.12 -0.69 0.00 0.00 174.62 175.62 1mws s PHE 211 N 0.60 3.61 -0.21 4.92 5.36 -1.26 -4.22 117.98 126.77 1mws s PHE 211 Ca 0.49 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 1mws s PHE 211 Cb -0.22 -3.25 0.05 0.00 -0.34 0.00 0.00 43.02 39.27 1mws s PHE 211 CO 0.28 -0.52 -0.07 0.08 -1.46 0.00 0.00 175.22 173.53 1mws s VAL 212 N 0.24 1.47 0.30 3.12 1.01 -0.12 -4.96 120.40 121.46 1mws s VAL 212 Ca 0.51 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1mws s VAL 212 Cb -0.27 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 1mws s VAL 212 CO 0.32 0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.39 1mws s PRO 213 N 1.45 4.53 -0.05 2.72 0.04 -1.26 -0.70 135.00 141.72 1mws s PRO 213 Ca -0.03 1.82 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1mws s PRO 213 Cb -0.17 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 1mws s PRO 213 CO -0.07 0.10 0.04 1.28 0.04 0.00 0.00 177.00 178.39 1mws n LEU 214 N 0.96 0.00 -3.48 -3.56 4.77 0.12 -4.92 117.00 110.89 1mws n LEU 214 Ca -0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1mws n LEU 214 Cb 0.45 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1mws n LEU 214 CO 0.53 0.13 0.56 -0.75 -1.33 0.00 0.00 177.39 176.54 1mws s LYS 215 N -2.19 1.04 -0.04 3.23 2.20 -0.96 -5.01 119.74 118.01 1mws s LYS 215 Ca -0.03 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 1mws s LYS 215 Cb 0.02 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 1mws s LYS 215 CO 0.25 -0.46 -0.18 0.99 -0.36 0.00 0.00 175.35 175.60 1mws s THR 216 N -3.41 2.71 0.00 3.43 2.01 -1.26 0.63 115.64 119.75 1mws s THR 216 Ca 0.03 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1mws s THR 216 Cb -0.01 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1mws s THR 216 CO -0.10 0.58 -0.11 0.68 -0.69 0.00 0.00 174.62 174.99 1mws s VAL 217 N -0.62 0.83 0.11 3.82 -7.23 0.14 -4.79 120.40 112.66 1mws s VAL 217 Ca 0.09 -0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 59.53 1mws s VAL 217 Cb -0.11 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 1mws s VAL 217 CO 0.00 0.17 1.71 0.50 -0.31 0.00 0.00 175.10 177.17 1mws h LYS 218 N 5.69 0.36 -6.66 4.82 1.63 -1.92 0.55 116.57 121.04 1mws h LYS 218 Ca -0.33 -0.05 -0.68 0.00 -0.85 0.00 0.00 60.65 58.75 1mws h LYS 218 Cb 1.18 -0.07 -0.20 0.00 -0.60 0.00 0.00 32.23 32.54 1mws h LYS 218 CO 0.48 0.33 -0.80 -1.59 -3.45 0.00 0.00 179.45 174.42 1mws s LYS 219 N -5.81 1.90 -0.32 1.90 0.00 -1.26 -4.21 119.74 111.93 1mws s LYS 219 Ca -0.13 -1.10 -0.16 0.00 0.00 0.00 0.00 55.97 54.58 1mws s LYS 219 Cb 0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 37.83 35.75 1mws s LYS 219 CO 0.71 0.50 0.40 1.41 0.00 0.00 0.00 175.35 178.38 1mws s MET 220 N -1.85 3.73 0.00 1.78 -2.45 -1.26 -4.79 119.30 114.45 1mws s MET 220 Ca 0.17 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.40 1mws s MET 220 Cb -0.11 -3.76 0.00 0.00 1.25 0.00 0.00 34.83 32.22 1mws s MET 220 CO 0.08 -0.47 0.00 -0.40 1.05 0.00 0.00 175.02 175.28 1mws n ASP 221 N 5.45 0.00 -0.03 1.11 3.85 -1.26 -5.02 116.55 120.65 1mws n ASP 221 Ca -0.08 0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 53.87 1mws n ASP 221 Cb 0.50 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.17 1mws n ASP 221 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1mws h GLU 222 N 0.00 0.15 -0.43 0.11 4.39 -1.97 -0.27 114.58 116.56 1mws h GLU 222 Ca 0.00 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.66 1mws h GLU 222 Cb 0.00 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.58 1mws h GLU 222 CO 0.00 0.69 -0.51 1.88 -1.16 0.00 0.00 179.01 179.91 1mws h TYR 223 N -0.37 -1.53 0.70 4.33 0.99 -1.97 0.35 116.97 119.47 1mws h TYR 223 Ca 0.00 0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 1mws h TYR 223 Cb 0.69 0.73 0.01 0.00 1.00 0.00 0.00 36.73 39.15 1mws h TYR 223 CO 0.12 -0.47 -0.34 1.25 -0.00 0.00 0.00 178.16 178.72 1mws h LEU 224 N -0.36 -0.80 -0.46 3.88 5.85 -1.87 -0.36 115.31 121.20 1mws h LEU 224 Ca 0.11 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1mws h LEU 224 Cb 0.59 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1mws h LEU 224 CO -0.61 -0.51 -0.20 -1.28 -0.34 0.00 0.00 178.44 175.50 1mws h SER 225 N -1.03 -0.68 -0.64 1.25 0.87 -0.69 -0.86 113.55 111.77 1mws h SER 225 Ca -0.10 0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1mws h SER 225 Cb 0.74 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1mws h SER 225 CO 0.16 -0.23 0.07 0.44 -0.53 0.00 0.00 176.83 176.74 1mws h ASP 226 N -0.10 1.04 0.21 6.23 5.19 -0.34 -2.62 116.42 126.03 1mws h ASP 226 Ca 0.22 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1mws h ASP 226 Cb 0.44 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1mws h ASP 226 CO -0.52 1.06 -0.13 0.15 -3.12 0.00 0.00 179.24 176.67 1mws h PHE 227 N 0.99 -0.35 0.31 4.55 3.57 0.06 -0.99 116.94 125.08 1mws h PHE 227 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1mws h PHE 227 Cb 0.48 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1mws h PHE 227 CO 0.04 -0.21 -0.43 0.00 -2.23 0.00 0.00 178.31 175.48 1mws h ALA 228 N 0.44 -0.87 -0.90 2.41 0.00 -1.22 -2.36 119.26 116.75 1mws h ALA 228 Ca -0.02 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.01 1mws h ALA 228 Cb 0.28 0.66 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 1mws h ALA 228 CO 0.02 -1.04 0.10 -0.22 0.00 0.00 0.00 179.25 178.11 1mws h LYS 229 N -0.79 0.09 0.09 0.00 3.64 -1.34 0.12 116.57 118.38 1mws h LYS 229 Ca -0.02 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1mws h LYS 229 Cb 0.74 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1mws h LYS 229 CO -0.14 0.06 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.66 1mws h LYS 230 N 0.09 -0.39 -0.56 1.90 3.64 -0.64 -2.50 116.57 118.11 1mws h LYS 230 Ca 0.55 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1mws h LYS 230 Cb 1.10 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1mws h LYS 230 CO -0.78 -0.26 0.00 1.19 -2.27 0.00 0.00 179.45 177.33 1mws n PHE 231 N -5.35 0.86 -3.70 1.91 3.01 -0.45 -4.91 117.46 108.83 1mws n PHE 231 Ca -0.06 -0.36 -0.24 0.00 1.01 0.00 0.00 57.45 57.80 1mws n PHE 231 Cb 0.26 -0.12 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 1mws n PHE 231 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1mws n HIS 232 N 0.70 -2.30 -2.68 1.38 8.25 0.19 -4.68 115.22 116.08 1mws n HIS 232 Ca 0.16 0.92 -0.23 0.00 -0.26 0.00 0.00 57.72 58.31 1mws n HIS 232 Cb 0.55 -4.52 0.03 0.00 1.12 0.00 0.00 29.99 27.16 1mws n HIS 232 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1mws s LEU 233 N -6.96 3.35 0.04 2.41 1.43 0.03 -4.25 118.68 114.73 1mws s LEU 233 Ca 0.34 0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.76 1mws s LEU 233 Cb -0.16 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1mws s LEU 233 CO 0.79 -1.03 -0.24 -0.89 0.23 0.00 0.00 176.35 175.20 1mws s THR 234 N -2.77 2.32 0.13 5.49 2.01 0.02 -4.54 115.64 118.30 1mws s THR 234 Ca 0.54 -1.31 0.09 0.00 0.31 0.00 0.00 61.69 61.31 1mws s THR 234 Cb -0.10 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1mws s THR 234 CO 0.40 0.37 -0.15 0.42 -0.69 0.00 0.00 174.62 174.97 1mws s THR 235 N -0.83 2.99 -0.16 -0.82 -4.23 -1.26 -0.32 115.64 111.02 1mws s THR 235 Ca 0.12 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1mws s THR 235 Cb -0.10 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.42 1mws s THR 235 CO 0.03 0.05 0.27 0.21 -0.54 0.00 0.00 174.62 174.64 1mws s ASN 236 N -2.31 0.52 0.34 3.99 2.47 0.29 -4.96 114.94 115.29 1mws s ASN 236 Ca 0.20 0.41 -0.29 0.00 0.42 0.00 0.00 52.86 53.60 1mws s ASN 236 Cb -0.10 0.71 -0.11 0.00 -1.45 0.00 0.00 41.25 40.30 1mws s ASN 236 CO 0.12 -0.26 1.49 1.21 -3.72 0.00 0.00 177.10 175.93 1mws n GLU 237 N 5.35 2.59 -3.88 0.43 2.13 -1.26 -1.13 120.64 124.87 1mws n GLU 237 Ca -0.06 0.91 -0.09 0.00 0.66 0.00 0.00 57.16 58.58 1mws n GLU 237 Cb 0.50 -2.63 -0.08 0.00 0.27 0.00 0.00 31.44 29.49 1mws n GLU 237 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1mws s THR 238 N -0.76 0.14 0.35 6.31 -1.32 -0.15 -4.88 115.64 115.33 1mws s THR 238 Ca 0.57 -1.15 -0.25 0.00 -1.21 0.00 0.00 61.69 59.65 1mws s THR 238 Cb -0.50 -1.21 -0.10 0.00 -1.51 0.00 0.00 72.50 69.18 1mws s THR 238 CO 0.59 -0.64 0.96 -1.61 -2.21 0.00 0.00 174.62 171.71 1mws s GLU 239 N -3.43 4.49 -0.00 7.08 2.02 -1.26 -1.39 118.70 126.20 1mws s GLU 239 Ca 0.02 1.33 -0.29 0.00 0.02 0.00 0.00 54.97 56.05 1mws s GLU 239 Cb 0.03 -2.69 0.07 0.00 0.10 0.00 0.00 34.13 31.64 1mws s GLU 239 CO -0.09 0.19 0.66 0.45 0.02 0.00 0.00 175.26 176.49 1mws s SER 240 N -1.67 -0.63 0.21 -0.19 0.15 -0.98 -4.80 113.70 105.79 1mws s SER 240 Ca 0.53 0.55 -0.32 0.00 0.70 0.00 0.00 55.95 57.41 1mws s SER 240 Cb -0.18 0.55 -0.13 0.00 -1.71 0.00 0.00 66.02 64.55 1mws s SER 240 CO 0.23 -0.69 1.49 -1.14 1.20 0.00 0.00 173.24 174.33 1mws n ARG 241 N 0.62 2.13 -4.81 5.44 3.00 -1.26 -0.67 116.66 121.11 1mws n ARG 241 Ca -0.19 0.76 -0.24 0.00 -0.00 0.00 0.00 57.85 58.18 1mws n ARG 241 Cb 0.59 -2.47 -0.15 0.00 0.00 0.00 0.00 32.46 30.42 1mws n ARG 241 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1mws s ASN 242 N 0.54 2.02 -0.37 6.15 2.47 0.13 -4.72 114.94 121.16 1mws s ASN 242 Ca 0.72 -0.32 0.04 0.00 0.42 0.00 0.00 52.86 53.72 1mws s ASN 242 Cb -0.65 -0.22 0.10 0.00 -1.45 0.00 0.00 41.25 39.03 1mws s ASN 242 CO 0.45 0.21 0.08 -0.31 -3.72 0.00 0.00 177.10 173.81 1mws s TYR 243 N -0.42 3.66 0.38 0.43 1.51 -1.26 -1.27 117.35 120.37 1mws s TYR 243 Ca 0.07 -3.02 0.13 0.00 -1.01 0.00 0.00 57.07 53.23 1mws s TYR 243 Cb -0.07 -2.90 0.93 0.00 -0.11 0.00 0.00 41.96 39.82 1mws s TYR 243 CO -0.01 -0.92 1.84 -1.35 -1.11 0.00 0.00 175.55 174.01 1mws h PRO 244 N 7.44 0.55 -0.05 -1.71 0.11 -1.79 -0.72 132.00 135.83 1mws h PRO 244 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1mws h PRO 244 Cb 1.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1mws h PRO 244 CO 0.55 0.36 0.00 1.28 -0.21 0.00 0.00 178.00 179.98 1mws n LEU 245 N -4.58 0.76 0.00 2.35 4.77 -1.26 -4.98 117.00 114.06 1mws n LEU 245 Ca 0.20 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1mws n LEU 245 Cb 0.61 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1mws n LEU 245 CO 0.28 0.15 0.00 -0.62 -1.33 0.00 0.00 177.39 175.87 1mws n GLU 246 N -0.33 0.00 0.27 3.23 1.02 -0.28 -1.56 120.64 123.00 1mws n GLU 246 Ca 0.17 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.49 1mws n GLU 246 Cb 0.20 0.00 0.80 0.00 -0.02 0.00 0.00 31.44 32.42 1mws n GLU 246 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1mws h LYS 247 N 0.00 0.00 0.00 3.49 1.57 -1.90 -3.04 116.57 116.69 1mws h LYS 247 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1mws h LYS 247 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1mws h LYS 247 CO 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.76 1mws h ALA 248 N 2.03 1.25 -0.01 3.86 0.00 -1.67 -3.10 119.26 121.62 1mws h ALA 248 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mws h ALA 248 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1mws h ALA 248 CO 0.00 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.65 1mws n THR 249 N -3.59 1.56 -0.01 0.00 -2.24 -1.15 -4.83 114.28 104.02 1mws n THR 249 Ca -0.02 -1.78 -0.10 0.00 -2.27 0.00 0.00 64.05 59.88 1mws n THR 249 Cb 0.25 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1mws n THR 249 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mws h SER 250 N 0.04 -0.22 -0.56 3.42 0.02 -1.58 -1.75 113.55 112.92 1mws h SER 250 Ca 0.00 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1mws h SER 250 Cb 0.82 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1mws h SER 250 CO 0.00 -0.09 -0.08 0.45 -1.14 0.00 0.00 176.83 175.97 1mws h HIS 251 N -0.06 1.16 0.16 3.45 3.86 -1.88 -1.69 115.15 120.14 1mws h HIS 251 Ca 0.07 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1mws h HIS 251 Cb 0.17 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1mws h HIS 251 CO -0.20 1.06 -0.08 1.25 0.86 0.00 0.00 177.93 180.83 1mws h LEU 252 N 0.92 -0.18 0.15 2.43 6.46 -1.80 -3.36 115.31 119.94 1mws h LEU 252 Ca 0.15 -0.23 -0.31 0.00 -0.12 0.00 0.00 57.88 57.37 1mws h LEU 252 Cb 0.65 0.05 0.03 0.00 -0.73 0.00 0.00 40.66 40.66 1mws h LEU 252 CO 0.05 0.15 -1.31 -0.07 -0.62 0.00 0.00 178.44 176.64 1mws h LEU 253 N -0.52 0.85 0.00 2.25 3.38 -1.40 -1.63 115.31 118.25 1mws h LEU 253 Ca -0.02 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1mws h LEU 253 Cb 0.40 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mws h LEU 253 CO 0.04 1.63 0.00 0.61 0.09 0.00 0.00 178.44 180.80 1mws n GLY 254 N 1.46 0.09 3.82 0.83 0.00 -0.63 -1.56 105.19 109.19 1mws n GLY 254 Ca -0.14 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 1mws n GLY 254 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mws s TYR 255 N 0.00 -0.05 0.25 1.61 -0.85 -1.24 -4.94 117.35 112.13 1mws s TYR 255 Ca 0.00 -0.39 0.09 0.00 -0.52 0.00 0.00 57.07 56.25 1mws s TYR 255 Cb 0.00 0.71 -0.05 0.00 0.38 0.00 0.00 41.96 43.00 1mws s TYR 255 CO 0.00 -1.12 -0.15 0.14 -1.52 0.00 0.00 175.55 172.90 1mws s VAL 256 N -3.03 2.03 0.14 -3.49 -7.23 -1.26 0.47 120.40 108.02 1mws s VAL 256 Ca 0.14 -2.27 -0.25 0.00 -1.81 0.00 0.00 61.98 57.79 1mws s VAL 256 Cb -0.04 -2.22 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1mws s VAL 256 CO 0.06 -0.47 1.04 -0.83 -0.31 0.00 0.00 175.10 174.59 1mws s GLY 257 N -3.42 -0.13 0.38 2.32 0.00 -0.50 -4.72 107.32 101.25 1mws s GLY 257 Ca 0.27 0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.75 1mws s GLY 257 CO 0.11 0.94 1.27 -4.14 0.00 0.00 0.00 173.10 171.27 1mws s PRO 258 N -2.76 4.11 0.76 2.90 0.02 -1.26 -0.88 135.00 137.88 1mws s PRO 258 Ca 0.16 2.09 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 1mws s PRO 258 Cb -0.01 -2.84 0.05 0.00 0.02 0.00 0.00 34.50 31.72 1mws s PRO 258 CO 0.02 -0.35 1.10 -1.50 -0.33 0.00 0.00 177.00 175.94 1mws s ILE 259 N -1.26 3.25 0.18 2.83 2.07 -0.57 -4.85 121.20 122.85 1mws s ILE 259 Ca 0.54 0.43 0.01 0.00 -1.41 0.00 0.00 60.65 60.22 1mws s ILE 259 Cb -0.37 -2.90 -0.05 0.00 0.13 0.00 0.00 42.46 39.28 1mws s ILE 259 CO 0.48 -0.51 0.04 0.54 -1.91 0.00 0.00 174.94 173.58 1mws s ASN 260 N -3.23 0.93 0.21 4.50 2.20 -1.26 -4.92 114.94 113.36 1mws s ASN 260 Ca 0.62 -1.24 -0.19 0.00 -0.94 0.00 0.00 52.86 51.11 1mws s ASN 260 Cb -0.18 0.18 0.18 0.00 -2.00 0.00 0.00 41.25 39.44 1mws s ASN 260 CO 0.54 -0.65 1.57 0.28 -2.94 0.00 0.00 177.10 175.89 1mws h SER 261 N 2.67 -1.33 -0.05 3.54 0.02 -1.97 0.41 113.55 116.83 1mws h SER 261 Ca -0.37 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1mws h SER 261 Cb 1.21 0.68 -0.01 0.00 0.14 0.00 0.00 62.40 64.43 1mws h SER 261 CO 0.61 -0.30 0.02 -0.33 -1.14 0.00 0.00 176.83 175.69 1mws h GLU 262 N -0.08 0.12 -0.17 3.45 3.07 -2.00 -1.79 114.58 117.20 1mws h GLU 262 Ca 0.29 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.97 1mws h GLU 262 Cb 0.57 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1mws h GLU 262 CO -0.85 0.13 -0.58 0.93 -1.40 0.00 0.00 179.01 177.24 1mws h GLU 263 N 0.13 0.53 0.00 2.33 5.08 -0.67 -2.90 114.58 119.08 1mws h GLU 263 Ca 0.03 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1mws h GLU 263 Cb 0.06 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1mws h GLU 263 CO -0.00 0.96 0.00 1.28 -1.00 0.00 0.00 179.01 180.25 1mws n LEU 264 N -3.94 0.00 -0.06 1.33 4.77 -0.35 -2.27 117.00 116.48 1mws n LEU 264 Ca -0.03 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 1mws n LEU 264 Cb 0.62 -0.39 0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1mws n LEU 264 CO 0.47 -0.16 0.32 0.29 -1.33 0.00 0.00 177.39 176.98 1mws n LYS 265 N -1.39 0.18 -3.26 3.23 4.76 -1.10 -4.82 118.16 115.75 1mws n LYS 265 Ca 0.06 -0.12 -0.31 0.00 -2.87 0.00 0.00 58.31 55.07 1mws n LYS 265 Cb 0.17 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 1mws n LYS 265 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1mws s GLN 266 N -2.91 3.79 0.08 1.97 -0.21 -0.96 -5.01 119.66 116.41 1mws s GLN 266 Ca 0.12 0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.51 1mws s GLN 266 Cb 0.17 -2.57 -0.14 0.00 1.00 0.00 0.00 33.01 31.47 1mws s GLN 266 CO 0.72 0.21 1.47 0.87 -2.12 0.00 0.00 175.29 176.44 1mws h LYS 267 N 2.10 -0.75 -1.35 2.91 1.79 -1.91 -2.79 116.57 116.57 1mws h LYS 267 Ca -0.47 0.05 0.44 0.00 -2.18 0.00 0.00 60.65 58.49 1mws h LYS 267 Cb 1.18 0.17 -0.10 0.00 -1.58 0.00 0.00 32.23 31.90 1mws h LYS 267 CO 0.67 -0.50 0.91 -0.85 -1.08 0.00 0.00 179.45 178.60 1mws n GLU 268 N -5.02 -0.02 -0.80 3.15 0.28 -1.26 0.82 120.64 117.79 1mws n GLU 268 Ca -0.09 1.02 0.08 0.00 -0.16 0.00 0.00 57.16 58.01 1mws n GLU 268 Cb 0.38 -2.12 0.38 0.00 1.43 0.00 0.00 31.44 31.51 1mws n GLU 268 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1mws n TYR 269 N -4.15 1.86 -1.77 -1.84 4.02 -1.05 -4.96 117.16 109.26 1mws n TYR 269 Ca 0.36 -0.71 -0.41 0.00 -0.01 0.00 0.00 57.90 57.12 1mws n TYR 269 Cb 1.47 -0.43 -0.00 0.00 -0.02 0.00 0.00 39.34 40.35 1mws n TYR 269 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1mws n LYS 270 N 0.65 2.68 -0.27 -0.72 5.02 0.24 -1.54 118.16 124.22 1mws n LYS 270 Ca 0.27 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 1mws n LYS 270 Cb 1.10 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1mws n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mws n GLY 271 N 0.77 2.37 3.77 0.72 0.00 -1.26 -5.00 105.19 106.56 1mws n GLY 271 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1mws n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mws s TYR 272 N -3.21 3.22 1.06 1.61 1.51 -0.59 -5.02 117.35 115.94 1mws s TYR 272 Ca 0.00 1.59 -0.13 0.00 -1.01 0.00 0.00 57.07 57.52 1mws s TYR 272 Cb 0.00 -3.37 0.23 0.00 -0.11 0.00 0.00 41.96 38.71 1mws s TYR 272 CO 0.00 -1.10 1.07 0.15 -1.11 0.00 0.00 175.55 174.55 1mws s LYS 273 N -2.05 -0.09 0.10 -0.62 3.01 -1.26 -4.97 119.74 113.86 1mws s LYS 273 Ca 0.53 0.65 -0.16 0.00 -1.01 0.00 0.00 55.97 55.98 1mws s LYS 273 Cb -0.31 -1.66 -0.06 0.00 -1.01 0.00 0.00 37.83 34.79 1mws s LYS 273 CO 0.39 -3.12 1.52 0.22 0.51 0.00 0.00 175.35 174.87 1mws h ASP 274 N -2.18 0.60 -0.73 2.83 1.82 -2.00 -3.30 116.42 113.46 1mws h ASP 274 Ca -0.57 -0.34 -0.47 0.00 -0.39 0.00 0.00 57.03 55.25 1mws h ASP 274 Cb 1.33 -0.16 -0.28 0.00 0.68 0.00 0.00 39.33 40.90 1mws h ASP 274 CO 0.55 0.80 0.07 -0.90 -1.61 0.00 0.00 179.24 178.15 1mws n ASP 275 N -4.48 4.88 -4.80 2.28 5.68 -1.26 -4.77 116.55 114.07 1mws n ASP 275 Ca -0.02 -3.76 -0.34 0.00 -0.50 0.00 0.00 54.79 50.17 1mws n ASP 275 Cb 0.30 -0.68 -0.02 0.00 -1.14 0.00 0.00 41.12 39.59 1mws n ASP 275 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mws s ALA 276 N -3.53 2.82 -0.28 2.12 0.00 -1.25 -4.88 121.76 116.76 1mws s ALA 276 Ca 0.54 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 1mws s ALA 276 Cb 0.45 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1mws s ALA 276 CO 0.02 -0.52 0.13 0.08 0.00 0.00 0.00 175.76 175.47 1mws s VAL 277 N -2.15 4.72 0.22 0.00 1.01 -1.26 -1.51 120.40 121.42 1mws s VAL 277 Ca 0.66 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.60 1mws s VAL 277 Cb -0.17 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1mws s VAL 277 CO 0.27 0.24 -0.12 0.27 0.00 0.00 0.00 175.10 175.75 1mws s ILE 278 N 1.66 1.72 0.31 2.22 -4.36 -0.06 -4.87 121.20 117.82 1mws s ILE 278 Ca 0.06 -2.20 -0.29 0.00 -0.26 0.00 0.00 60.65 57.96 1mws s ILE 278 Cb -0.16 -2.14 -0.10 0.00 1.25 0.00 0.00 42.46 41.31 1mws s ILE 278 CO 0.07 -0.52 1.43 -0.83 0.24 0.00 0.00 174.94 175.32 1mws s GLY 279 N -3.35 2.64 -0.06 6.27 0.00 -1.25 -1.42 107.32 110.17 1mws s GLY 279 Ca 0.24 1.39 0.16 0.00 0.00 0.00 0.00 44.72 46.52 1mws s GLY 279 CO 0.08 2.20 0.29 0.28 0.00 0.00 0.00 173.10 175.95 1mws n LYS 280 N 1.43 0.74 -3.88 2.90 4.76 0.18 -4.39 118.16 119.89 1mws n LYS 280 Ca 0.04 -0.12 -0.08 0.00 -2.87 0.00 0.00 58.31 55.28 1mws n LYS 280 Cb 0.40 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1mws n LYS 280 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1mws s LYS 281 N -2.97 1.69 2.97 1.97 1.02 -1.23 -4.91 119.74 118.28 1mws s LYS 281 Ca -0.07 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1mws s LYS 281 Cb 0.09 0.57 0.00 0.00 -0.52 0.00 0.00 37.83 37.97 1mws s LYS 281 CO 0.68 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1mws n GLY 282 N -0.43 0.95 0.31 -3.33 0.00 -1.26 -2.49 105.19 98.94 1mws n GLY 282 Ca -0.04 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.32 1mws n GLY 282 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mws h LEU 283 N 0.00 0.52 -0.98 0.99 3.38 -1.06 0.20 115.31 118.36 1mws h LEU 283 Ca 0.00 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1mws h LEU 283 Cb 0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1mws h LEU 283 CO 0.00 0.41 0.62 -0.33 0.09 0.00 0.00 178.44 179.23 1mws h GLU 284 N 0.60 1.06 0.09 1.13 4.39 -1.27 0.27 114.58 120.85 1mws h GLU 284 Ca 0.16 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 1mws h GLU 284 Cb -0.01 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1mws h GLU 284 CO -0.03 0.70 -0.71 -0.22 -1.16 0.00 0.00 179.01 177.59 1mws h LYS 285 N 1.09 0.19 -0.83 2.33 3.64 -0.98 -2.50 116.57 119.51 1mws h LYS 285 Ca 0.44 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1mws h LYS 285 Cb 0.25 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1mws h LYS 285 CO -0.20 1.16 0.55 1.25 -2.27 0.00 0.00 179.45 179.94 1mws h LEU 286 N -0.57 0.85 -3.51 5.20 5.85 -0.21 -2.79 115.31 120.13 1mws h LEU 286 Ca -0.14 -0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.21 1mws h LEU 286 Cb 1.47 -0.19 -0.27 0.00 0.37 0.00 0.00 40.66 42.05 1mws h LEU 286 CO 0.07 0.57 -0.54 -1.22 -0.34 0.00 0.00 178.44 176.98 1mws n TYR 287 N -4.47 1.83 -0.09 1.25 4.02 0.92 -4.80 117.16 115.81 1mws n TYR 287 Ca 0.12 -2.00 -0.08 0.00 -0.01 0.00 0.00 57.90 55.93 1mws n TYR 287 Cb 0.16 -0.40 -0.00 0.00 -0.02 0.00 0.00 39.34 39.08 1mws n TYR 287 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1mws h ASP 288 N 1.71 0.19 -0.58 7.72 3.58 -1.15 -2.75 116.42 125.13 1mws h ASP 288 Ca 0.27 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.82 1mws h ASP 288 Cb 1.36 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 42.33 1mws h ASP 288 CO 0.56 0.15 0.23 0.11 -2.88 0.00 0.00 179.24 177.41 1mws h LYS 289 N 0.30 0.41 -0.04 0.28 1.57 -1.87 0.30 116.57 117.52 1mws h LYS 289 Ca 0.13 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1mws h LYS 289 Cb 0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1mws h LYS 289 CO -0.11 0.27 -0.06 0.87 -0.57 0.00 0.00 179.45 179.85 1mws h LYS 290 N 0.42 0.06 -0.00 3.15 1.57 -1.88 -2.28 116.57 117.61 1mws h LYS 290 Ca 0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1mws h LYS 290 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1mws h LYS 290 CO -0.27 0.13 -0.43 1.28 -0.57 0.00 0.00 179.45 179.59 1mws n LEU 291 N -4.43 0.79 -4.72 2.94 4.77 -0.23 -3.24 117.00 112.88 1mws n LEU 291 Ca -0.02 -0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.47 1mws n LEU 291 Cb 0.16 -0.18 0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1mws n LEU 291 CO 0.35 0.17 0.75 -1.10 -1.33 0.00 0.00 177.39 176.23 1mws s GLN 292 N -2.78 1.85 0.19 3.23 -1.52 -0.07 -1.24 119.66 119.31 1mws s GLN 292 Ca 0.17 1.60 -0.09 0.00 -1.95 0.00 0.00 55.36 55.09 1mws s GLN 292 Cb 0.18 -1.82 -0.01 0.00 -0.22 0.00 0.00 33.01 31.14 1mws s GLN 292 CO 0.63 -2.02 0.31 -3.38 -0.25 0.00 0.00 175.29 170.58 1mws s HIS 293 N -2.33 0.48 -0.09 0.91 -3.43 -1.26 -3.64 115.29 105.94 1mws s HIS 293 Ca 0.70 -0.83 -0.04 0.00 -0.80 0.00 0.00 55.06 54.09 1mws s HIS 293 Cb -0.25 -0.06 0.04 0.00 -1.43 0.00 0.00 32.58 30.88 1mws s HIS 293 CO 0.50 -0.77 0.20 -2.00 -2.00 0.00 0.00 174.74 170.67 1mws s GLU 294 N -4.00 0.14 0.62 -0.38 2.12 0.86 -4.96 118.70 113.10 1mws s GLU 294 Ca 0.21 0.47 -0.18 0.00 0.36 0.00 0.00 54.97 55.83 1mws s GLU 294 Cb 0.03 -0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.25 1mws s GLU 294 CO 0.03 -0.18 1.18 -0.51 -0.54 0.00 0.00 175.26 175.25 1mws s ASP 295 N 1.32 5.10 0.04 -1.70 1.11 -1.26 0.55 116.67 121.83 1mws s ASP 295 Ca -0.08 2.29 0.00 0.00 0.18 0.00 0.00 52.55 54.94 1mws s ASP 295 Cb -0.11 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.30 1mws s ASP 295 CO -0.07 -1.65 0.03 0.61 1.18 0.00 0.00 175.17 175.27 1mws n GLY 296 N 0.28 2.83 3.58 0.21 0.00 0.12 -4.68 105.19 107.52 1mws n GLY 296 Ca 0.13 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 1mws n GLY 296 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mws s TYR 297 N -0.01 -0.36 -0.06 1.61 1.13 -0.28 -0.50 117.35 118.89 1mws s TYR 297 Ca 0.03 0.10 -0.06 0.00 -1.41 0.00 0.00 57.07 55.73 1mws s TYR 297 Cb -0.00 0.60 0.02 0.00 -1.10 0.00 0.00 41.96 41.47 1mws s TYR 297 CO 0.02 -0.84 0.17 0.50 -2.51 0.00 0.00 175.55 172.88 1mws s ARG 298 N -3.55 0.22 -0.16 -3.49 3.52 0.22 -0.43 118.95 115.28 1mws s ARG 298 Ca 0.06 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1mws s ARG 298 Cb -0.02 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1mws s ARG 298 CO -0.06 -0.03 -0.18 0.08 -0.81 0.00 0.00 175.30 174.30 1mws s VAL 299 N -0.03 2.30 0.23 7.11 1.01 0.44 0.11 120.40 131.56 1mws s VAL 299 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1mws s VAL 299 Cb -0.02 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1mws s VAL 299 CO 0.00 0.53 0.06 0.42 0.00 0.00 0.00 175.10 176.12 1mws s THR 300 N 1.03 0.62 -0.20 3.92 -4.23 0.00 -0.29 115.64 116.49 1mws s THR 300 Ca -0.02 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1mws s THR 300 Cb -0.15 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1mws s THR 300 CO -0.05 -0.15 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.24 1mws s ILE 301 N -3.71 3.92 -0.04 2.99 1.01 0.83 -0.56 121.20 125.64 1mws s ILE 301 Ca 0.33 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1mws s ILE 301 Cb 0.07 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 1mws s ILE 301 CO 0.11 0.43 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 1mws s VAL 302 N 1.01 1.48 0.20 2.92 1.01 0.81 -0.98 120.40 126.84 1mws s VAL 302 Ca 0.02 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 1mws s VAL 302 Cb -0.14 -1.26 -0.10 0.00 0.00 0.00 0.00 36.38 34.87 1mws s VAL 302 CO 0.02 0.42 1.52 -1.81 0.00 0.00 0.00 175.10 175.25 1mws s ASP 303 N -0.11 6.61 0.45 3.32 1.01 -0.79 -0.78 116.67 126.39 1mws s ASP 303 Ca -0.01 2.63 -0.25 0.00 0.71 0.00 0.00 52.55 55.63 1mws s ASP 303 Cb -0.10 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 1mws s ASP 303 CO 0.01 -0.78 1.38 0.47 0.21 0.00 0.00 175.17 176.46 1mws n ASP 304 N 3.35 3.03 0.00 0.27 8.00 -0.25 -1.76 116.55 129.19 1mws n ASP 304 Ca 0.11 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.72 1mws n ASP 304 Cb 0.39 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 1mws n ASP 304 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mws n ASN 305 N -0.13 0.00 0.24 -2.24 3.02 -1.26 -4.38 115.26 110.51 1mws n ASN 305 Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1mws n ASN 305 Cb 0.41 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.14 1mws n ASN 305 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1mws h SER 306 N 0.00 0.00 -2.73 6.41 4.64 -1.98 -3.46 113.55 116.42 1mws h SER 306 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1mws h SER 306 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1mws h SER 306 CO 0.00 0.19 -0.40 0.59 -0.87 0.00 0.00 176.83 176.34 1mws n ASN 307 N -3.46 -4.83 -4.80 4.97 3.02 -0.72 -4.96 115.26 104.47 1mws n ASN 307 Ca -0.01 0.18 -0.35 0.00 -0.03 0.00 0.00 54.58 54.38 1mws n ASN 307 Cb 0.36 -4.14 -0.06 0.00 -0.61 0.00 0.00 39.78 35.32 1mws n ASN 307 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1mws s THR 308 N -2.72 4.26 -0.38 3.41 2.01 -1.26 -4.86 115.64 116.10 1mws s THR 308 Ca 0.00 1.58 -0.20 0.00 0.31 0.00 0.00 61.69 63.38 1mws s THR 308 Cb 0.00 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1mws s THR 308 CO 0.00 -0.14 0.60 -0.63 -0.69 0.00 0.00 174.62 173.76 1mws s ILE 309 N -1.94 4.91 0.02 1.82 1.01 -1.26 -1.88 121.20 123.88 1mws s ILE 309 Ca 0.58 0.36 -0.08 0.00 0.00 0.00 0.00 60.65 61.51 1mws s ILE 309 Cb -0.13 -4.08 -0.31 0.00 0.01 0.00 0.00 42.46 37.95 1mws s ILE 309 CO 0.18 -0.36 0.95 0.00 0.00 0.00 0.00 174.94 175.70 1mws h ALA 310 N 8.58 0.07 -2.39 9.38 0.00 -1.42 -3.47 119.26 130.00 1mws h ALA 310 Ca -0.27 -0.98 -0.10 0.00 0.00 0.00 0.00 54.91 53.57 1mws h ALA 310 Cb 1.11 0.20 -0.21 0.00 0.00 0.00 0.00 17.79 18.90 1mws h ALA 310 CO 0.83 0.94 -0.12 -1.01 0.00 0.00 0.00 179.25 179.90 1mws s HIS 311 N -2.62 -0.40 -0.29 0.00 3.76 -1.11 -4.98 115.29 109.65 1mws s HIS 311 Ca -0.09 0.77 -0.04 0.00 -0.15 0.00 0.00 55.06 55.55 1mws s HIS 311 Cb 0.06 0.20 0.03 0.00 1.11 0.00 0.00 32.58 33.98 1mws s HIS 311 CO 0.89 -0.41 0.03 0.99 -0.85 0.00 0.00 174.74 175.39 1mws s THR 312 N -0.87 3.42 -0.02 1.30 2.01 -1.26 -0.12 115.64 120.10 1mws s THR 312 Ca -0.09 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 1mws s THR 312 Cb -0.03 -2.84 -0.31 0.00 0.01 0.00 0.00 72.50 69.33 1mws s THR 312 CO 0.05 0.01 0.76 -0.07 -0.69 0.00 0.00 174.62 174.68 1mws h LEU 313 N 8.12 0.62 -7.60 4.42 3.38 -0.99 -3.47 115.31 119.78 1mws h LEU 313 Ca -0.28 -0.86 -0.19 0.00 0.09 0.00 0.00 57.88 56.65 1mws h LEU 313 Cb 1.10 -0.20 -0.26 0.00 0.09 0.00 0.00 40.66 41.39 1mws h LEU 313 CO 0.58 1.71 -0.54 -0.63 0.09 0.00 0.00 178.44 179.65 1mws s ILE 314 N -2.59 0.01 -0.11 1.22 1.01 -0.98 -4.86 121.20 114.90 1mws s ILE 314 Ca -0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1mws s ILE 314 Cb 0.05 -0.23 0.06 0.00 0.01 0.00 0.00 42.46 42.35 1mws s ILE 314 CO 0.87 -0.04 0.23 -0.70 0.00 0.00 0.00 174.94 175.30 1mws s GLU 315 N -0.07 0.12 -0.30 2.79 2.12 -1.26 -0.42 118.70 121.68 1mws s GLU 315 Ca -0.01 0.67 -0.04 0.00 0.36 0.00 0.00 54.97 55.94 1mws s GLU 315 Cb -0.02 -0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.30 1mws s GLU 315 CO 0.00 -0.27 0.03 0.21 -0.54 0.00 0.00 175.26 174.69 1mws s LYS 316 N 2.22 2.68 0.55 4.30 2.20 0.43 -4.98 119.74 127.14 1mws s LYS 316 Ca 0.00 -1.11 -0.21 0.00 -0.36 0.00 0.00 55.97 54.29 1mws s LYS 316 Cb -0.12 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1mws s LYS 316 CO -0.08 -0.56 1.19 1.63 -0.36 0.00 0.00 175.35 177.17 1mws n LYS 317 N 4.73 1.38 -2.16 4.03 5.02 -1.26 -1.12 118.16 128.78 1mws n LYS 317 Ca -0.14 0.51 -0.32 0.00 -2.02 0.00 0.00 58.31 56.35 1mws n LYS 317 Cb 0.45 -2.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.08 1mws n LYS 317 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1mws s LYS 318 N -2.73 3.69 -0.39 1.97 -2.85 -1.26 -4.35 119.74 113.82 1mws s LYS 318 Ca 0.72 0.96 0.03 0.00 -1.00 0.00 0.00 55.97 56.68 1mws s LYS 318 Cb -0.44 -2.09 0.11 0.00 -2.06 0.00 0.00 37.83 33.35 1mws s LYS 318 CO 0.49 -0.49 0.12 0.15 0.10 0.00 0.00 175.35 175.72 1mws s LYS 319 N -4.36 1.68 0.45 1.78 1.02 0.19 -4.87 119.74 115.62 1mws s LYS 319 Ca 0.59 -2.02 -0.23 0.00 0.02 0.00 0.00 55.97 54.33 1mws s LYS 319 Cb -0.12 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 33.82 1mws s LYS 319 CO 0.39 -1.00 1.14 -0.51 -0.92 0.00 0.00 175.35 174.45 1mws s ASP 320 N 0.83 6.29 0.67 2.83 1.01 -1.26 -0.10 116.67 126.95 1mws s ASP 320 Ca 0.12 2.24 -0.15 0.00 0.71 0.00 0.00 52.55 55.47 1mws s ASP 320 Cb -0.21 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.13 1mws s ASP 320 CO -0.06 -0.83 1.13 -0.83 0.21 0.00 0.00 175.17 174.79 1mws s GLY 321 N -1.42 2.22 0.11 0.21 0.00 0.19 -4.81 107.32 103.82 1mws s GLY 321 Ca 0.62 0.63 -0.20 0.00 0.00 0.00 0.00 44.72 45.78 1mws s GLY 321 CO 0.33 1.00 0.61 0.54 0.00 0.00 0.00 173.10 175.58 1mws s LYS 322 N -4.01 4.23 0.55 2.90 -0.14 -1.20 -4.03 119.74 118.04 1mws s LYS 322 Ca 0.69 0.78 -0.17 0.00 -1.36 0.00 0.00 55.97 55.91 1mws s LYS 322 Cb -0.23 -3.17 -0.06 0.00 -1.68 0.00 0.00 37.83 32.70 1mws s LYS 322 CO 0.41 0.59 1.03 -0.51 -0.76 0.00 0.00 175.35 176.11 1mws s ASP 323 N -1.24 6.17 -0.11 2.83 1.01 -1.26 -4.18 116.67 119.88 1mws s ASP 323 Ca 0.32 1.75 0.02 0.00 0.71 0.00 0.00 52.55 55.35 1mws s ASP 323 Cb -0.19 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.22 1mws s ASP 323 CO 0.20 -0.90 -0.16 -0.63 0.21 0.00 0.00 175.17 173.89 1mws s ILE 324 N -2.43 1.57 -0.17 0.77 1.01 0.17 -4.91 121.20 117.20 1mws s ILE 324 Ca 0.63 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 1mws s ILE 324 Cb -0.14 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1mws s ILE 324 CO 0.32 0.45 0.06 -1.58 0.00 0.00 0.00 174.94 174.20 1mws s GLN 325 N 0.90 3.91 0.28 2.79 0.74 -1.26 -0.48 119.66 126.55 1mws s GLN 325 Ca -0.08 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.04 1mws s GLN 325 Cb -0.15 -3.19 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1mws s GLN 325 CO -0.01 0.32 0.42 -0.51 -0.55 0.00 0.00 175.29 174.96 1mws s LEU 326 N 0.24 4.18 0.16 3.68 1.43 0.14 -1.10 118.68 127.40 1mws s LEU 326 Ca 0.04 0.05 0.26 0.00 -1.03 0.00 0.00 54.13 53.45 1mws s LEU 326 Cb -0.12 -2.89 0.92 0.00 0.03 0.00 0.00 46.19 44.13 1mws s LEU 326 CO 0.00 -0.21 1.80 0.35 0.23 0.00 0.00 176.35 178.53 1mws n THR 327 N -1.53 0.48 -1.71 5.49 -2.24 -0.03 -1.35 114.28 113.39 1mws n THR 327 Ca -0.06 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1mws n THR 327 Cb 0.57 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1mws n THR 327 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1mws n ILE 328 N -2.06 1.74 -3.71 2.28 2.08 -0.88 -4.34 119.36 114.47 1mws n ILE 328 Ca 0.06 -0.43 -0.38 0.00 0.56 0.00 0.00 62.75 62.55 1mws n ILE 328 Cb 0.39 -1.64 -0.12 0.00 -0.75 0.00 0.00 39.64 37.51 1mws n ILE 328 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1mws s ASP 329 N -0.11 5.43 0.56 4.38 -1.08 0.13 -0.28 116.67 125.69 1mws s ASP 329 Ca 0.58 -1.11 0.28 0.00 -0.52 0.00 0.00 52.55 51.78 1mws s ASP 329 Cb -0.56 -1.91 1.47 0.00 -1.46 0.00 0.00 42.92 40.46 1mws s ASP 329 CO 0.59 -0.35 1.96 0.00 0.52 0.00 0.00 175.17 177.89 1mws h ALA 330 N 8.28 2.36 -0.19 3.66 0.00 -1.94 -1.63 119.26 129.78 1mws h ALA 330 Ca -0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1mws h ALA 330 Cb 1.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1mws h ALA 330 CO 0.62 -0.70 0.02 0.87 0.00 0.00 0.00 179.25 180.05 1mws h LYS 331 N 0.00 0.32 -0.33 0.00 1.57 -1.93 -1.18 116.57 115.02 1mws h LYS 331 Ca 0.25 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1mws h LYS 331 Cb 1.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1mws h LYS 331 CO -0.00 0.50 -0.08 0.28 -0.57 0.00 0.00 179.45 179.58 1mws h VAL 332 N 0.10 1.28 -0.31 0.50 2.07 -1.63 -2.17 116.25 116.09 1mws h VAL 332 Ca 0.06 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.48 1mws h VAL 332 Cb 0.35 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1mws h VAL 332 CO 0.01 0.37 0.06 -0.61 0.02 0.00 0.00 177.57 177.42 1mws h GLN 333 N 0.41 0.17 -0.58 1.57 5.75 -1.25 -0.43 115.11 120.75 1mws h GLN 333 Ca 0.08 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1mws h GLN 333 Cb 0.58 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1mws h GLN 333 CO 0.03 0.11 0.03 0.87 -2.65 0.00 0.00 178.83 177.22 1mws h LYS 334 N 0.18 1.01 -0.25 1.69 1.57 -1.20 -1.66 116.57 117.92 1mws h LYS 334 Ca 0.15 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1mws h LYS 334 Cb 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1mws h LYS 334 CO -0.19 0.99 -0.22 1.03 -0.57 0.00 0.00 179.45 180.49 1mws h SER 335 N 0.91 0.62 0.16 0.86 0.87 -1.12 -0.93 113.55 114.92 1mws h SER 335 Ca 0.17 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1mws h SER 335 Cb 0.52 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1mws h SER 335 CO 0.02 0.96 -0.08 0.40 -0.53 0.00 0.00 176.83 177.60 1mws h ILE 336 N 0.29 0.89 -0.07 2.23 2.04 -1.10 -1.99 117.51 119.80 1mws h ILE 336 Ca 0.04 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1mws h ILE 336 Cb 0.77 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1mws h ILE 336 CO 0.06 0.05 -0.19 0.22 0.00 0.00 0.00 178.15 178.29 1mws h TYR 337 N -0.31 -0.49 -0.86 1.37 3.20 -1.30 -1.94 116.97 116.64 1mws h TYR 337 Ca -0.02 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1mws h TYR 337 Cb 0.24 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 1mws h TYR 337 CO -0.04 -0.26 0.56 -0.91 -1.64 0.00 0.00 178.16 175.86 1mws h ASN 338 N -0.26 0.65 -0.13 -2.11 2.35 -1.10 0.35 115.58 115.33 1mws h ASN 338 Ca 0.08 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1mws h ASN 338 Cb 0.38 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1mws h ASN 338 CO -0.23 0.35 0.00 0.59 -1.65 0.00 0.00 177.43 176.49 1mws n ASN 339 N -4.54 1.48 0.00 5.81 3.02 -0.76 -4.07 115.26 116.21 1mws n ASN 339 Ca 0.16 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1mws n ASN 339 Cb 0.42 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1mws n ASN 339 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1mws n MET 340 N 0.19 0.69 -0.38 3.52 2.81 -0.04 -4.91 117.12 119.01 1mws n MET 340 Ca 0.16 -0.13 0.30 0.00 -1.81 0.00 0.00 57.70 56.23 1mws n MET 340 Cb 0.31 -0.53 0.59 0.00 -0.71 0.00 0.00 33.22 32.88 1mws n MET 340 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1mws h LYS 341 N 0.00 0.22 -0.01 0.03 2.10 -0.55 0.65 116.57 119.02 1mws h LYS 341 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1mws h LYS 341 Cb 0.20 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1mws h LYS 341 CO 0.00 0.14 -0.23 0.09 -2.00 0.00 0.00 179.45 177.46 1mws n ASN 342 N -4.61 1.03 -4.86 7.07 3.02 -1.26 -4.31 115.26 111.34 1mws n ASN 342 Ca 0.31 -0.92 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 1mws n ASN 342 Cb 1.16 0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 40.39 1mws n ASN 342 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1mws s ASP 343 N -2.46 6.05 -0.20 6.41 1.01 0.22 -4.85 116.67 122.85 1mws s ASP 343 Ca 0.26 0.17 -0.28 0.00 0.71 0.00 0.00 52.55 53.41 1mws s ASP 343 Cb 0.19 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.34 1mws s ASP 343 CO 0.50 0.18 0.98 -0.47 0.21 0.00 0.00 175.17 176.57 1mws s TYR 344 N -1.45 3.38 -4.54 4.23 6.14 -1.25 -2.26 117.35 121.59 1mws s TYR 344 Ca 0.32 1.42 0.00 0.00 0.64 0.00 0.00 57.07 59.45 1mws s TYR 344 Cb -0.13 -3.19 0.00 0.00 0.42 0.00 0.00 41.96 39.07 1mws s TYR 344 CO 0.25 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 176.46 1mws n GLY 345 N 3.36 -1.06 3.09 8.97 0.00 -0.23 -1.29 105.19 118.03 1mws n GLY 345 Ca 0.09 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1mws n GLY 345 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mws s SER 346 N -4.00 0.28 -0.08 1.61 1.04 -0.81 -1.20 113.70 110.54 1mws s SER 346 Ca 0.00 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1mws s SER 346 Cb 0.00 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1mws s SER 346 CO 0.00 -0.51 0.01 -0.83 0.98 0.00 0.00 173.24 172.89 1mws s GLY 347 N -2.26 0.49 0.11 7.32 0.00 -0.19 -1.86 107.32 110.93 1mws s GLY 347 Ca -0.03 -0.16 0.05 0.00 0.00 0.00 0.00 44.72 44.58 1mws s GLY 347 CO -0.06 1.17 -0.13 -0.51 0.00 0.00 0.00 173.10 173.57 1mws s THR 348 N 1.97 1.22 -0.06 0.90 -4.23 -0.56 -0.74 115.64 114.14 1mws s THR 348 Ca 0.05 -1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1mws s THR 348 Cb -0.13 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.26 1mws s THR 348 CO -0.05 -0.45 0.30 0.00 -0.54 0.00 0.00 174.62 173.87 1mws s ALA 349 N -2.22 -0.74 0.03 3.99 0.00 -0.87 -0.31 121.76 121.64 1mws s ALA 349 Ca 0.08 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1mws s ALA 349 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1mws s ALA 349 CO 0.02 -0.21 0.03 -1.50 0.00 0.00 0.00 175.76 174.10 1mws s ILE 350 N -0.70 0.13 -0.54 0.00 2.07 -0.18 -1.04 121.20 120.94 1mws s ILE 350 Ca -0.08 -1.04 -0.19 0.00 -1.41 0.00 0.00 60.65 57.94 1mws s ILE 350 Cb -0.04 -0.60 0.08 0.00 0.13 0.00 0.00 42.46 42.03 1mws s ILE 350 CO 0.02 -0.57 0.64 -2.28 -1.91 0.00 0.00 174.94 170.84 1mws s HIS 351 N -2.03 3.05 0.29 3.50 5.65 0.11 -1.33 115.29 124.52 1mws s HIS 351 Ca -0.10 -0.75 0.01 0.00 0.25 0.00 0.00 55.06 54.46 1mws s HIS 351 Cb -0.05 -3.71 0.69 0.00 -1.18 0.00 0.00 32.58 28.33 1mws s HIS 351 CO -0.03 -1.12 1.62 -1.35 -0.65 0.00 0.00 174.74 173.22 1mws h PRO 352 N 9.05 0.12 0.00 2.88 0.11 -1.83 0.26 132.00 142.60 1mws h PRO 352 Ca -0.28 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1mws h PRO 352 Cb 1.09 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1mws h PRO 352 CO 1.01 0.08 -0.14 1.96 -0.21 0.00 0.00 178.00 180.71 1mws h GLN 353 N 0.13 0.00 0.00 1.05 7.50 -1.86 -3.37 115.11 118.56 1mws h GLN 353 Ca 0.55 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.70 1mws h GLN 353 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.63 1mws h GLN 353 CO -0.73 0.14 -0.27 0.25 -1.50 0.00 0.00 178.83 176.72 1mws n THR 354 N -3.43 0.00 -0.62 -0.54 -2.24 -0.75 -4.95 114.28 101.74 1mws n THR 354 Ca -0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1mws n THR 354 Cb 0.31 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1mws n THR 354 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mws n GLY 355 N 0.92 0.76 3.74 3.38 0.00 0.84 -4.61 105.19 110.22 1mws n GLY 355 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1mws n GLY 355 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mws s GLU 356 N -0.38 4.34 -0.16 1.61 2.02 -1.23 -0.94 118.70 123.97 1mws s GLU 356 Ca 0.00 2.17 -0.21 0.00 0.02 0.00 0.00 54.97 56.95 1mws s GLU 356 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1mws s GLU 356 CO 0.00 -0.31 0.64 -0.51 0.02 0.00 0.00 175.26 175.10 1mws s LEU 357 N -0.41 4.20 -0.01 1.80 1.43 -0.03 -0.71 118.68 124.95 1mws s LEU 357 Ca 0.57 0.93 0.20 0.00 -1.03 0.00 0.00 54.13 54.79 1mws s LEU 357 Cb -0.39 -2.93 -0.21 0.00 0.03 0.00 0.00 46.19 42.69 1mws s LEU 357 CO 0.42 -0.21 0.58 0.18 0.23 0.00 0.00 176.35 177.54 1mws n LEU 358 N 4.61 0.38 -3.66 1.79 4.77 -0.21 -2.08 117.00 122.60 1mws n LEU 358 Ca -0.02 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1mws n LEU 358 Cb 0.50 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1mws n LEU 358 CO 0.45 0.12 0.29 0.00 -1.33 0.00 0.00 177.39 176.92 1mws s ALA 359 N -3.10 -1.54 -0.30 -1.18 0.00 -1.14 -0.70 121.76 113.80 1mws s ALA 359 Ca -0.06 1.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.71 1mws s ALA 359 Cb 0.10 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 22.25 1mws s ALA 359 CO 0.85 -0.30 0.13 -0.51 0.00 0.00 0.00 175.76 175.92 1mws s LEU 360 N 0.64 1.01 0.01 0.00 1.43 -1.26 -2.05 118.68 118.46 1mws s LEU 360 Ca -0.03 -1.47 0.08 0.00 -1.03 0.00 0.00 54.13 51.69 1mws s LEU 360 Cb -0.05 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1mws s LEU 360 CO -0.04 -0.42 -0.25 -0.69 0.23 0.00 0.00 176.35 175.19 1mws s VAL 361 N 1.87 2.23 -0.04 -1.59 1.01 0.08 -4.66 120.40 119.31 1mws s VAL 361 Ca 0.10 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1mws s VAL 361 Cb -0.17 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1mws s VAL 361 CO -0.30 0.47 -0.03 -0.55 0.00 0.00 0.00 175.10 174.68 1mws s SER 362 N -0.97 0.79 0.10 3.32 0.15 -1.26 -1.02 113.70 114.81 1mws s SER 362 Ca 0.11 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.72 1mws s SER 362 Cb -0.10 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 1mws s SER 362 CO 0.01 -0.06 -0.15 0.42 1.20 0.00 0.00 173.24 174.66 1mws s THR 363 N 0.91 1.27 0.83 6.45 -4.23 -0.34 -4.01 115.64 116.53 1mws s THR 363 Ca -0.11 -1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1mws s THR 363 Cb -0.14 -1.34 0.09 0.00 1.34 0.00 0.00 72.50 72.45 1mws s THR 363 CO -0.00 -0.30 1.09 -2.84 -0.54 0.00 0.00 174.62 172.03 1mws s PRO 364 N -2.21 1.77 0.00 3.99 0.02 -0.96 -1.06 135.00 136.55 1mws s PRO 364 Ca 0.04 0.75 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1mws s PRO 364 Cb -0.07 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1mws s PRO 364 CO 0.03 -1.86 0.00 0.45 -0.33 0.00 0.00 177.00 175.28 1mws n SER 365 N -3.62 0.58 -3.56 2.53 2.88 -1.26 -4.37 113.62 106.81 1mws n SER 365 Ca 0.07 -0.62 -0.12 0.00 -1.33 0.00 0.00 58.87 56.87 1mws n SER 365 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 1mws n SER 365 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1mws s TYR 366 N 0.91 -0.37 -0.12 0.66 -0.85 -1.26 -4.87 117.35 111.45 1mws s TYR 366 Ca 0.00 0.22 -0.29 0.00 -0.52 0.00 0.00 57.07 56.48 1mws s TYR 366 Cb 0.00 0.36 -0.01 0.00 0.38 0.00 0.00 41.96 42.69 1mws s TYR 366 CO 0.00 -0.71 1.02 0.34 -1.52 0.00 0.00 175.55 174.68 1mws s ASP 367 N -2.46 7.21 0.10 -0.18 2.15 -1.26 -4.72 116.67 117.51 1mws s ASP 367 Ca -0.01 1.52 0.26 0.00 0.43 0.00 0.00 52.55 54.75 1mws s ASP 367 Cb 0.00 -2.55 0.67 0.00 -0.30 0.00 0.00 42.92 40.74 1mws s ASP 367 CO -0.08 -0.49 1.58 1.33 -0.17 0.00 0.00 175.17 177.33 1mws n VAL 368 N 4.68 0.28 -0.21 1.11 0.24 -1.26 -4.11 118.33 119.06 1mws n VAL 368 Ca 0.09 -0.17 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1mws n VAL 368 Cb 0.48 -0.25 0.04 0.00 -1.47 0.00 0.00 33.84 32.64 1mws n VAL 368 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1mws h TYR 369 N 0.00 0.77 0.00 6.34 0.99 -1.97 -1.20 116.97 121.89 1mws h TYR 369 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1mws h TYR 369 Cb 0.65 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 38.12 1mws h TYR 369 CO 0.00 0.50 -0.05 -1.35 -0.00 0.00 0.00 178.16 177.26 1mws h PRO 370 N 0.81 0.00 0.00 4.88 0.11 -1.89 0.33 132.00 136.24 1mws h PRO 370 Ca 0.22 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 1mws h PRO 370 Cb -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1mws h PRO 370 CO -0.04 0.05 -0.55 0.74 -0.21 0.00 0.00 178.00 177.98 1mws h PHE 371 N 0.00 0.00 0.20 0.65 -1.00 -1.47 0.44 116.94 115.76 1mws h PHE 371 Ca -0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 1mws h PHE 371 Cb 0.15 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.72 1mws h PHE 371 CO 0.00 0.55 -1.68 0.52 -1.61 0.00 0.00 178.31 176.10 1mws h MET 372 N 0.00 0.42 0.00 1.51 2.86 0.37 -3.39 114.93 116.70 1mws h MET 372 Ca -0.01 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 1mws h MET 372 Cb 1.28 0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.21 1mws h MET 372 CO 0.07 1.35 -1.33 0.66 1.06 0.00 0.00 176.91 178.72 1mws n TYR 373 N -3.64 0.41 0.00 -0.22 0.53 0.74 -4.96 117.16 110.02 1mws n TYR 373 Ca -0.23 0.12 0.00 0.00 -1.02 0.00 0.00 57.90 56.77 1mws n TYR 373 Cb 1.07 -0.62 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 1mws n TYR 373 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1mws n GLY 374 N 1.27 3.08 3.38 2.72 0.00 0.14 -4.66 105.19 111.12 1mws n GLY 374 Ca -0.01 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 1mws n GLY 374 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1mws s MET 375 N -5.32 1.57 0.73 1.61 0.23 -1.19 -4.84 119.30 112.08 1mws s MET 375 Ca 0.00 -1.88 -0.09 0.00 -1.03 0.00 0.00 55.69 52.68 1mws s MET 375 Cb 0.00 -0.42 0.05 0.00 -1.53 0.00 0.00 34.83 32.93 1mws s MET 375 CO 0.00 -0.32 1.07 -1.54 -2.03 0.00 0.00 175.02 172.20 1mws s SER 376 N -3.40 4.93 0.34 -1.18 1.04 -1.26 -4.91 113.70 109.26 1mws s SER 376 Ca 0.35 0.73 0.13 0.00 0.48 0.00 0.00 55.95 57.64 1mws s SER 376 Cb 0.07 -1.40 0.60 0.00 0.10 0.00 0.00 66.02 65.38 1mws s SER 376 CO 0.15 -1.58 1.74 0.78 0.98 0.00 0.00 173.24 175.31 1mws h ASN 377 N -0.71 0.00 0.07 7.02 4.21 -1.99 -1.65 115.58 122.54 1mws h ASN 377 Ca -0.45 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.05 1mws h ASN 377 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1mws h ASN 377 CO 0.63 0.46 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.87 1mws h GLU 378 N 0.00 -0.10 -0.75 0.81 5.08 -1.99 -0.60 114.58 117.04 1mws h GLU 378 Ca -0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1mws h GLU 378 Cb 0.84 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1mws h GLU 378 CO 0.06 0.23 0.41 0.93 -1.00 0.00 0.00 179.01 179.63 1mws h GLU 379 N -0.43 0.69 -0.30 2.33 5.08 -1.89 0.55 114.58 120.62 1mws h GLU 379 Ca -0.01 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1mws h GLU 379 Cb 0.37 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1mws h GLU 379 CO 0.02 0.46 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.43 1mws h TYR 380 N 0.71 0.71 -0.85 4.33 3.20 -1.23 -2.98 116.97 120.85 1mws h TYR 380 Ca 0.35 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1mws h TYR 380 Cb 0.31 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1mws h TYR 380 CO -0.08 0.84 0.53 -0.91 -1.64 0.00 0.00 178.16 176.91 1mws h ASN 381 N 0.37 1.00 -0.96 -2.11 2.35 -0.52 -1.43 115.58 114.28 1mws h ASN 381 Ca 0.07 -0.04 0.10 0.00 -0.55 0.00 0.00 56.30 55.88 1mws h ASN 381 Cb 0.65 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.69 1mws h ASN 381 CO 0.04 0.75 0.60 0.50 -1.65 0.00 0.00 177.43 177.67 1mws h LYS 382 N 1.17 0.96 -0.15 0.81 3.11 -0.76 0.13 116.57 121.83 1mws h LYS 382 Ca 0.31 -0.06 -0.20 0.00 -2.81 0.00 0.00 60.65 57.89 1mws h LYS 382 Cb -0.09 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 30.94 1mws h LYS 382 CO -0.06 0.63 -0.70 -0.07 -2.81 0.00 0.00 179.45 176.44 1mws h LEU 383 N 0.98 0.87 -1.00 5.20 3.38 -1.18 -2.59 115.31 120.98 1mws h LEU 383 Ca 0.46 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1mws h LEU 383 Cb 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mws h LEU 383 CO -0.24 1.36 -0.15 0.71 0.09 0.00 0.00 178.44 180.21 1mws h THR 384 N 0.45 0.34 -0.00 0.22 1.35 -0.77 -3.03 112.91 111.46 1mws h THR 384 Ca -0.05 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1mws h THR 384 Cb 1.33 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1mws h THR 384 CO 0.15 0.14 -0.55 -0.62 -0.25 0.00 0.00 175.52 174.39 1mws n GLU 385 N -3.25 0.36 -1.94 4.72 1.02 -0.01 -4.90 120.64 116.64 1mws n GLU 385 Ca 0.01 -0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.48 1mws n GLU 385 Cb 0.43 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1mws n GLU 385 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1mws s ASP 386 N -2.81 6.62 0.19 1.62 -1.08 -0.98 -4.84 116.67 115.39 1mws s ASP 386 Ca 0.15 2.41 0.15 0.00 -0.52 0.00 0.00 52.55 54.73 1mws s ASP 386 Cb 0.18 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.84 1mws s ASP 386 CO 0.68 -0.91 1.46 0.29 0.52 0.00 0.00 175.17 177.20 1mws n LYS 387 N 6.31 0.09 0.00 4.34 5.02 -1.26 -0.71 118.16 131.96 1mws n LYS 387 Ca 0.17 0.54 0.14 0.00 -2.02 0.00 0.00 58.31 57.14 1mws n LYS 387 Cb 0.41 -1.78 0.62 0.00 -0.02 0.00 0.00 35.03 34.27 1mws n LYS 387 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1mws n LYS 388 N -1.97 1.46 -3.92 1.97 5.02 -1.26 -4.96 118.16 114.50 1mws n LYS 388 Ca -0.00 -0.71 -0.30 0.00 -2.02 0.00 0.00 58.31 55.28 1mws n LYS 388 Cb 0.06 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1mws n LYS 388 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mws n GLU 389 N -0.15 -2.07 -0.07 1.97 1.02 0.11 -4.32 120.64 117.13 1mws n GLU 389 Ca 0.20 0.35 0.24 0.00 -0.02 0.00 0.00 57.16 57.92 1mws n GLU 389 Cb 0.30 -4.06 0.71 0.00 -0.02 0.00 0.00 31.44 28.36 1mws n GLU 389 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1mws h PRO 390 N -1.96 0.00 0.00 3.49 0.13 -1.80 -0.36 132.00 131.50 1mws h PRO 390 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1mws h PRO 390 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1mws h PRO 390 CO 0.58 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 179.59 1mws n LEU 391 N -4.27 0.67 -4.73 1.56 4.32 -1.26 -4.60 117.00 108.68 1mws n LEU 391 Ca 0.13 0.54 -0.41 0.00 -0.02 0.00 0.00 56.01 56.25 1mws n LEU 391 Cb 0.76 -0.34 -0.05 0.00 -1.62 0.00 0.00 43.42 42.17 1mws n LEU 391 CO 0.37 -0.14 0.65 -0.22 -1.22 0.00 0.00 177.39 176.83 1mws s LEU 392 N -4.24 4.52 -0.67 2.23 2.96 -0.15 -5.00 118.68 118.34 1mws s LEU 392 Ca 0.11 1.80 -0.19 0.00 -0.22 0.00 0.00 54.13 55.63 1mws s LEU 392 Cb 0.14 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.36 1mws s LEU 392 CO 0.59 -0.03 0.82 0.21 -1.32 0.00 0.00 176.35 176.63 1mws s ASN 393 N -0.20 6.29 0.38 3.68 3.84 -1.26 -4.88 114.94 122.79 1mws s ASN 393 Ca 0.46 -1.54 0.28 0.00 0.21 0.00 0.00 52.86 52.26 1mws s ASN 393 Cb -0.24 -2.33 1.14 0.00 -0.55 0.00 0.00 41.25 39.28 1mws s ASN 393 CO 0.30 -1.13 1.83 0.11 -2.79 0.00 0.00 177.10 175.42 1mws h LYS 394 N 9.10 0.00 -0.01 0.43 6.56 -1.91 -3.04 116.57 127.70 1mws h LYS 394 Ca -0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1mws h LYS 394 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1mws h LYS 394 CO 1.09 0.00 -0.22 1.97 -2.06 0.00 0.00 179.45 180.23 1mws n PHE 395 N -2.60 0.00 -0.08 -1.35 -1.74 -1.26 -4.09 117.46 106.35 1mws n PHE 395 Ca 0.02 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.80 1mws n PHE 395 Cb 0.26 -0.08 -0.15 0.00 1.52 0.00 0.00 39.48 41.03 1mws n PHE 395 CO 0.00 0.00 0.00 0.94 -0.56 0.00 0.00 176.76 177.14 1mws n GLN 396 N -0.36 0.67 -2.24 3.97 7.27 -1.15 -4.62 117.38 120.92 1mws n GLN 396 Ca 0.13 0.11 -0.25 0.00 0.07 0.00 0.00 57.00 57.05 1mws n GLN 396 Cb 0.37 -1.61 0.07 0.00 2.41 0.00 0.00 30.24 31.49 1mws n GLN 396 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1mws s ILE 397 N -2.53 2.28 0.24 1.69 -4.36 -1.24 -1.04 121.20 116.24 1mws s ILE 397 Ca -0.11 -0.30 0.05 0.00 -0.26 0.00 0.00 60.65 60.03 1mws s ILE 397 Cb 0.07 -2.97 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 1mws s ILE 397 CO 0.81 0.00 0.33 0.42 0.24 0.00 0.00 174.94 176.74 1mws s THR 398 N -3.24 5.15 0.31 8.37 -4.23 -1.26 -4.24 115.64 116.49 1mws s THR 398 Ca 0.61 -1.04 -0.18 0.00 -1.18 0.00 0.00 61.69 59.91 1mws s THR 398 Cb -0.10 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 69.98 1mws s THR 398 CO 0.45 -0.32 0.69 0.28 -0.54 0.00 0.00 174.62 175.17 1mws s THR 399 N -1.99 0.00 0.19 3.99 -1.32 -0.50 -4.79 115.64 111.22 1mws s THR 399 Ca 0.34 -1.09 -0.30 0.00 -1.21 0.00 0.00 61.69 59.43 1mws s THR 399 Cb -0.09 -2.29 -0.09 0.00 -1.51 0.00 0.00 72.50 68.52 1mws s THR 399 CO 0.28 0.00 1.30 -0.55 -2.21 0.00 0.00 174.62 173.45 1mws s SER 400 N -2.99 6.91 0.00 8.08 0.15 -1.26 0.70 113.70 125.29 1mws s SER 400 Ca 0.15 2.37 0.21 0.00 0.70 0.00 0.00 55.95 59.37 1mws s SER 400 Cb -0.05 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.53 1mws s SER 400 CO 0.09 -0.52 1.66 -0.81 1.20 0.00 0.00 173.24 174.86 1mws n PRO 401 N 2.75 0.00 0.00 5.44 -0.04 -1.26 -4.89 135.00 137.00 1mws n PRO 401 Ca 0.06 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1mws n PRO 401 Cb 0.43 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1mws n PRO 401 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mws n GLY 402 N 0.61 -0.41 3.98 0.55 0.00 -1.24 -3.88 105.19 104.80 1mws n GLY 402 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1mws n GLY 402 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mws n THR 404 N 0.00 0.00 0.27 2.61 -2.24 -1.26 -3.90 114.28 109.77 1mws n THR 404 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1mws n THR 404 Cb 0.00 0.00 0.76 0.00 -2.10 0.00 0.00 70.33 68.99 1mws n THR 404 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1mws h GLN 405 N 0.00 0.00 -0.84 -0.78 5.75 -1.87 -3.06 115.11 114.32 1mws h GLN 405 Ca 0.00 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.70 1mws h GLN 405 Cb 0.00 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1mws h GLN 405 CO 0.00 0.08 0.57 0.87 -2.65 0.00 0.00 178.83 177.70 1mws h LYS 406 N 0.00 0.29 -0.20 1.69 1.57 -1.79 0.12 116.57 118.25 1mws h LYS 406 Ca -0.00 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1mws h LYS 406 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1mws h LYS 406 CO 0.01 0.19 -0.53 0.82 -0.57 0.00 0.00 179.45 179.37 1mws h ILE 407 N 0.30 1.32 -0.28 1.86 1.08 -1.90 -0.47 117.51 119.42 1mws h ILE 407 Ca 0.42 -1.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.08 1mws h ILE 407 Cb 1.19 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 1mws h ILE 407 CO -0.12 0.55 0.00 -0.07 -0.69 0.00 0.00 178.15 177.83 1mws h LEU 408 N 0.44 0.48 -0.66 1.44 3.38 -0.97 -1.17 115.31 118.25 1mws h LEU 408 Ca 0.01 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1mws h LEU 408 Cb 1.07 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1mws h LEU 408 CO 0.10 0.67 0.38 0.74 0.09 0.00 0.00 178.44 180.41 1mws h THR 409 N 0.28 1.00 -0.45 0.22 2.02 -1.15 -1.47 112.91 113.36 1mws h THR 409 Ca 0.08 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1mws h THR 409 Cb 0.42 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1mws h THR 409 CO 0.01 0.13 0.29 0.00 0.37 0.00 0.00 175.52 176.33 1mws h ALA 410 N 1.33 0.57 -0.67 6.16 0.00 -0.85 -1.00 119.26 124.79 1mws h ALA 410 Ca 0.29 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1mws h ALA 410 Cb 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1mws h ALA 410 CO -0.16 0.01 0.38 0.52 0.00 0.00 0.00 179.25 180.00 1mws h MET 411 N 0.60 0.68 -0.33 0.00 2.07 -0.23 0.09 114.93 117.81 1mws h MET 411 Ca 0.17 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.73 1mws h MET 411 Cb -0.06 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.51 1mws h MET 411 CO -0.04 0.45 0.12 0.82 1.07 0.00 0.00 176.91 179.33 1mws h ILE 412 N 0.70 1.19 -0.72 -1.22 2.04 -0.86 -0.54 117.51 118.11 1mws h ILE 412 Ca 0.30 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1mws h ILE 412 Cb 0.17 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1mws h ILE 412 CO -0.17 0.21 0.46 1.23 0.00 0.00 0.00 178.15 179.88 1mws h GLY 413 N 0.38 1.02 1.00 5.37 0.00 -0.63 -1.13 103.07 109.09 1mws h GLY 413 Ca 0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1mws h GLY 413 CO -0.01 0.39 0.01 1.41 0.00 0.00 0.00 176.54 178.35 1mws h LEU 414 N 0.98 0.82 -0.77 3.11 3.38 -0.86 0.13 115.31 122.10 1mws h LEU 414 Ca 0.26 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1mws h LEU 414 Cb -0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1mws h LEU 414 CO -0.05 0.92 0.04 -1.13 0.09 0.00 0.00 178.44 178.31 1mws h ASN 415 N 0.70 0.94 0.55 -0.43 -1.24 -0.87 -2.24 115.58 112.99 1mws h ASN 415 Ca 0.14 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.91 1mws h ASN 415 Cb 0.49 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1mws h ASN 415 CO 0.02 0.98 -0.07 0.59 -1.29 0.00 0.00 177.43 177.66 1mws n ASN 416 N -4.20 0.19 -2.04 1.15 3.02 -0.45 -4.92 115.26 108.01 1mws n ASN 416 Ca 0.03 -0.22 -0.20 0.00 -0.03 0.00 0.00 54.58 54.16 1mws n ASN 416 Cb 0.31 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 1mws n ASN 416 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mws n LYS 417 N -1.21 -1.54 0.00 3.52 5.02 0.21 -4.82 118.16 119.35 1mws n LYS 417 Ca 0.13 1.05 0.12 0.00 -2.02 0.00 0.00 58.31 57.60 1mws n LYS 417 Cb 0.27 -5.58 0.21 0.00 -0.02 0.00 0.00 35.03 29.91 1mws n LYS 417 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1mws n THR 418 N -3.48 0.00 -3.88 -0.18 -2.24 0.12 -4.83 114.28 99.79 1mws n THR 418 Ca -0.23 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1mws n THR 418 Cb 0.67 0.95 -0.15 0.00 -2.10 0.00 0.00 70.33 69.71 1mws n THR 418 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1mws s LEU 419 N -2.30 1.78 0.00 3.22 0.20 -0.99 -4.98 118.68 115.61 1mws s LEU 419 Ca 0.26 -0.00 -0.06 0.00 0.69 0.00 0.00 54.13 55.02 1mws s LEU 419 Cb 0.19 -0.05 0.02 0.00 -0.43 0.00 0.00 46.19 45.93 1mws s LEU 419 CO 0.46 -0.02 0.46 -0.90 -0.29 0.00 0.00 176.35 176.06 1mws n ASP 420 N 3.33 -1.32 0.00 3.68 3.85 -1.26 -4.09 116.55 120.74 1mws n ASP 420 Ca -0.16 -2.31 0.05 0.00 -0.71 0.00 0.00 54.79 51.66 1mws n ASP 420 Cb 0.57 2.31 0.27 0.00 -1.35 0.00 0.00 41.12 42.92 1mws n ASP 420 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1mws n ASP 421 N -1.59 0.00 -0.08 -1.12 5.68 -1.26 -1.96 116.55 116.22 1mws n ASP 421 Ca -0.03 -0.05 0.01 0.00 -0.50 0.00 0.00 54.79 54.23 1mws n ASP 421 Cb 0.44 -0.17 0.01 0.00 -1.14 0.00 0.00 41.12 40.26 1mws n ASP 421 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1mws n LYS 422 N -1.17 -0.54 -1.85 0.11 5.02 -1.26 -4.88 118.16 113.60 1mws n LYS 422 Ca 0.06 -0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 55.27 1mws n LYS 422 Cb 0.06 -1.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1mws n LYS 422 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mws s THR 423 N -0.20 2.27 -0.22 -0.18 2.01 -0.83 -4.99 115.64 113.50 1mws s THR 423 Ca 0.02 0.22 -0.19 0.00 0.31 0.00 0.00 61.69 62.06 1mws s THR 423 Cb 0.02 -3.14 0.06 0.00 0.01 0.00 0.00 72.50 69.44 1mws s THR 423 CO 0.02 0.03 0.58 -0.94 -0.69 0.00 0.00 174.62 173.63 1mws s SER 424 N 0.50 -0.63 0.08 3.53 1.04 -1.26 -3.84 113.70 113.12 1mws s SER 424 Ca 0.63 1.18 0.07 0.00 0.48 0.00 0.00 55.95 58.31 1mws s SER 424 Cb -0.46 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 1mws s SER 424 CO 0.45 -0.21 -0.13 -0.31 0.98 0.00 0.00 173.24 174.02 1mws s TYR 425 N 0.51 2.67 -0.21 5.02 1.51 -0.71 -4.87 117.35 121.26 1mws s TYR 425 Ca -0.02 -0.19 -0.26 0.00 -1.01 0.00 0.00 57.07 55.60 1mws s TYR 425 Cb -0.04 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1mws s TYR 425 CO -0.02 0.37 0.88 0.21 -1.11 0.00 0.00 175.55 175.87 1mws s LYS 426 N -1.89 4.24 -0.07 -0.62 2.47 -1.26 -0.74 119.74 121.87 1mws s LYS 426 Ca 0.18 1.06 -0.01 0.00 -1.56 0.00 0.00 55.97 55.64 1mws s LYS 426 Cb -0.11 -3.62 0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1mws s LYS 426 CO 0.10 -0.47 -0.01 0.42 0.16 0.00 0.00 175.35 175.55 1mws s ILE 427 N 2.65 0.42 0.01 5.43 1.01 0.34 -4.99 121.20 126.07 1mws s ILE 427 Ca 0.38 0.08 0.04 0.00 0.00 0.00 0.00 60.65 61.15 1mws s ILE 427 Cb -0.16 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 1mws s ILE 427 CO 0.09 0.26 -0.14 -1.81 0.00 0.00 0.00 174.94 173.34 1mws s ASP 428 N 1.84 1.62 0.11 3.58 1.11 -1.26 -1.39 116.67 122.27 1mws s ASP 428 Ca 0.03 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.44 1mws s ASP 428 Cb -0.12 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.71 1mws s ASP 428 CO -0.05 0.12 0.00 0.61 1.18 0.00 0.00 175.17 177.03 1mws n GLY 429 N 2.44 -2.04 0.13 0.21 0.00 -1.26 -4.61 105.19 100.06 1mws n GLY 429 Ca -0.15 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 1mws n GLY 429 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mws h LYS 430 N 0.00 0.34 -5.86 1.61 1.57 -1.95 -3.46 116.57 108.82 1mws h LYS 430 Ca 0.00 -0.58 -0.57 0.00 -1.87 0.00 0.00 60.65 57.62 1mws h LYS 430 Cb 0.08 0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1mws h LYS 430 CO 0.00 1.24 -0.49 0.20 -0.57 0.00 0.00 179.45 179.82 1mws s GLY 431 N -4.92 2.37 -0.21 3.86 0.00 -1.26 -1.34 107.32 105.82 1mws s GLY 431 Ca -0.11 -2.02 -0.27 0.00 0.00 0.00 0.00 44.72 42.32 1mws s GLY 431 CO 0.87 -1.93 0.90 0.86 0.00 0.00 0.00 173.10 173.80 1mws s TRP 432 N -2.62 -0.55 0.02 1.90 -0.00 -0.47 -4.89 118.94 112.33 1mws s TRP 432 Ca 0.39 1.19 0.03 0.00 -0.00 0.00 0.00 56.10 57.70 1mws s TRP 432 Cb 0.04 0.37 -0.02 0.00 -0.00 0.00 0.00 33.47 33.86 1mws s TRP 432 CO 0.22 -0.35 -0.08 1.14 -0.00 0.00 0.00 176.95 177.87 1mws s GLN 433 N -0.30 0.58 0.14 5.86 -2.07 -1.26 -0.40 119.66 122.20 1mws s GLN 433 Ca -0.01 -0.54 -0.18 0.00 -1.82 0.00 0.00 55.36 52.82 1mws s GLN 433 Cb -0.03 -0.48 0.00 0.00 -1.09 0.00 0.00 33.01 31.41 1mws s GLN 433 CO -0.00 0.11 1.77 -0.22 -1.32 0.00 0.00 175.29 175.63 1mws h LYS 434 N 5.18 0.28 -3.06 9.60 3.64 -2.00 -3.46 116.57 126.75 1mws h LYS 434 Ca -0.33 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1mws h LYS 434 Cb 1.19 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1mws h LYS 434 CO 0.45 0.19 0.22 0.16 -2.27 0.00 0.00 179.45 178.19 1mws s ASP 435 N -5.38 -0.15 0.62 4.20 -4.77 -1.26 -5.03 116.67 104.89 1mws s ASP 435 Ca -0.13 -0.80 0.36 0.00 -3.30 0.00 0.00 52.55 48.68 1mws s ASP 435 Cb 0.10 0.76 2.05 0.00 -1.09 0.00 0.00 42.92 44.74 1mws s ASP 435 CO 0.70 -1.44 2.29 0.07 0.70 0.00 0.00 175.17 177.50 1mws h LYS 436 N 2.02 0.00 0.00 2.11 2.10 -1.91 -1.86 116.57 119.03 1mws h LYS 436 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1mws h LYS 436 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1mws h LYS 436 CO 0.29 0.01 0.00 -1.13 -2.00 0.00 0.00 179.45 176.62 1mws n SER 437 N -3.52 0.18 -0.07 7.07 3.41 -1.26 0.11 113.62 119.55 1mws n SER 437 Ca -0.03 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.31 1mws n SER 437 Cb 0.09 -0.60 0.79 0.00 -0.26 0.00 0.00 64.21 64.23 1mws n SER 437 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1mws n TRP 438 N -1.74 0.00 0.00 7.33 7.02 -0.70 -4.97 117.44 124.38 1mws n TRP 438 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1mws n TRP 438 Cb 0.04 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 1mws n TRP 438 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1mws n GLY 439 N 1.14 3.91 0.43 6.99 0.00 0.31 -1.66 105.19 116.31 1mws n GLY 439 Ca 0.19 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1mws n GLY 439 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mws n GLY 440 N 0.00 -0.15 3.73 -0.02 0.00 -1.26 -4.91 105.19 102.58 1mws n GLY 440 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1mws n GLY 440 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mws s TYR 441 N -2.23 3.73 0.01 1.61 5.04 -0.67 -5.04 117.35 119.79 1mws s TYR 441 Ca 0.30 1.71 0.02 0.00 -2.44 0.00 0.00 57.07 56.67 1mws s TYR 441 Cb 0.20 -3.14 -0.01 0.00 0.35 0.00 0.00 41.96 39.35 1mws s TYR 441 CO 0.42 -0.13 -0.07 -0.80 -1.34 0.00 0.00 175.55 173.64 1mws s ASN 442 N -0.04 0.75 -0.14 4.32 0.01 -1.26 -4.70 114.94 113.88 1mws s ASN 442 Ca 0.48 -0.26 -0.27 0.00 -0.71 0.00 0.00 52.86 52.11 1mws s ASN 442 Cb -0.26 -0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.35 1mws s ASN 442 CO 0.32 -0.02 0.88 -0.69 -1.51 0.00 0.00 177.10 176.07 1mws s VAL 443 N -0.57 4.87 0.19 1.60 1.01 0.46 -4.80 120.40 123.16 1mws s VAL 443 Ca -0.02 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.79 1mws s VAL 443 Cb -0.05 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1mws s VAL 443 CO 0.00 0.04 0.02 0.42 0.00 0.00 0.00 175.10 175.59 1mws s THR 444 N 1.95 3.79 0.12 3.92 -4.23 -1.26 -1.37 115.64 118.56 1mws s THR 444 Ca 0.42 -1.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.54 1mws s THR 444 Cb -0.17 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1mws s THR 444 CO 0.15 -0.17 -0.20 0.00 -0.54 0.00 0.00 174.62 173.85 1mws s ARG 445 N -3.14 1.16 -0.10 3.99 1.70 -0.45 -4.67 118.95 117.45 1mws s ARG 445 Ca 0.29 -1.22 -0.21 0.00 -0.47 0.00 0.00 55.73 54.12 1mws s ARG 445 Cb -0.09 -1.39 -0.18 0.00 -0.57 0.00 0.00 34.95 32.72 1mws s ARG 445 CO 0.20 0.32 0.69 -0.92 -1.08 0.00 0.00 175.30 174.50 1mws h TYR 446 N 3.89 -0.05 -3.55 5.89 3.20 -1.90 -3.43 116.97 121.02 1mws h TYR 446 Ca -0.45 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 60.72 1mws h TYR 446 Cb 1.19 0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.29 1mws h TYR 446 CO 0.63 0.57 -0.22 -2.00 -1.64 0.00 0.00 178.16 175.50 1mws s GLU 447 N -2.57 3.14 -0.31 1.82 2.12 -1.26 -5.04 118.70 116.60 1mws s GLU 447 Ca -0.14 -0.72 -0.25 0.00 0.36 0.00 0.00 54.97 54.23 1mws s GLU 447 Cb -0.01 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.43 1mws s GLU 447 CO 0.50 -0.82 0.85 0.08 -0.54 0.00 0.00 175.26 175.34 1mws s VAL 448 N 2.12 4.72 -0.23 3.70 1.01 -1.26 -4.95 120.40 125.51 1mws s VAL 448 Ca 0.12 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 1mws s VAL 448 Cb -0.17 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.06 1mws s VAL 448 CO 0.13 -0.32 -0.01 -0.69 0.00 0.00 0.00 175.10 174.21 1mws s VAL 449 N 3.12 1.23 0.22 2.92 1.01 -1.26 -5.07 120.40 122.56 1mws s VAL 449 Ca 0.35 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1mws s VAL 449 Cb -0.14 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 1mws s VAL 449 CO 0.14 -0.20 0.75 0.20 0.00 0.00 0.00 175.10 175.98 1mws s ASN 450 N 1.52 7.13 0.00 3.32 0.01 -1.26 -4.79 114.94 120.88 1mws s ASN 450 Ca -0.02 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.61 1mws s ASN 450 Cb -0.18 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1mws s ASN 450 CO -0.08 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.17 1mws n GLY 451 N 0.87 0.46 3.62 0.66 0.00 -0.49 -4.99 105.19 105.33 1mws n GLY 451 Ca -0.03 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1mws n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mws s ASN 452 N -4.00 6.47 -0.23 1.61 0.01 -1.26 -0.50 114.94 117.03 1mws s ASN 452 Ca 0.00 0.57 -0.06 0.00 -0.71 0.00 0.00 52.86 52.66 1mws s ASN 452 Cb 0.00 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 1mws s ASN 452 CO 0.00 -0.29 0.02 -0.63 -1.51 0.00 0.00 177.10 174.70 1mws s ILE 453 N 2.26 3.98 0.53 0.60 -1.09 0.08 -4.92 121.20 122.64 1mws s ILE 453 Ca 0.22 -0.29 0.08 0.00 -2.23 0.00 0.00 60.65 58.44 1mws s ILE 453 Cb -0.16 -2.84 0.08 0.00 -1.58 0.00 0.00 42.46 37.97 1mws s ILE 453 CO 0.09 0.38 0.70 -0.90 -1.23 0.00 0.00 174.94 173.98 1mws n ASP 454 N 4.75 2.01 -0.05 3.58 5.68 -1.26 -1.74 116.55 129.53 1mws n ASP 454 Ca -0.17 -2.45 -0.09 0.00 -0.50 0.00 0.00 54.79 51.59 1mws n ASP 454 Cb 0.51 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 40.12 1mws n ASP 454 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1mws h LEU 455 N 0.00 0.06 -0.41 -2.12 5.85 -1.86 -1.13 115.31 115.70 1mws h LEU 455 Ca -0.26 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1mws h LEU 455 Cb 1.15 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1mws h LEU 455 CO 0.37 0.06 -0.02 0.50 -0.34 0.00 0.00 178.44 179.01 1mws h LYS 456 N 0.16 0.08 -0.38 1.25 3.64 -1.94 -1.31 116.57 118.08 1mws h LYS 456 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1mws h LYS 456 Cb 0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1mws h LYS 456 CO -0.11 0.05 0.18 0.37 -2.27 0.00 0.00 179.45 177.68 1mws h GLN 457 N 0.08 0.54 -0.87 1.90 5.75 -1.91 -2.25 115.11 118.35 1mws h GLN 457 Ca 0.20 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1mws h GLN 457 Cb 0.29 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1mws h GLN 457 CO -0.35 0.48 0.58 0.00 -2.65 0.00 0.00 178.83 176.88 1mws h ALA 458 N 1.03 1.39 -0.32 3.38 0.00 -0.74 -0.42 119.26 123.59 1mws h ALA 458 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1mws h ALA 458 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mws h ALA 458 CO -0.02 0.55 -0.11 0.82 0.00 0.00 0.00 179.25 180.50 1mws h ILE 459 N 1.16 1.28 -0.42 0.00 2.04 -1.15 0.55 117.51 120.97 1mws h ILE 459 Ca 0.33 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1mws h ILE 459 Cb -0.10 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1mws h ILE 459 CO -0.08 0.38 0.19 -0.08 0.00 0.00 0.00 178.15 178.56 1mws h GLU 460 N 0.42 0.37 -0.61 2.37 4.81 -0.70 -2.41 114.58 118.83 1mws h GLU 460 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1mws h GLU 460 Cb 0.61 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1mws h GLU 460 CO 0.04 0.24 0.00 -1.13 -0.73 0.00 0.00 179.01 177.43 1mws n SER 461 N -4.95 4.04 -3.88 1.04 3.41 -0.25 -4.64 113.62 108.38 1mws n SER 461 Ca 0.03 -2.21 -0.36 0.00 -0.26 0.00 0.00 58.87 56.07 1mws n SER 461 Cb 0.13 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1mws n SER 461 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1mws n SER 462 N 1.14 -3.93 -4.60 4.04 2.88 0.15 -4.61 113.62 108.69 1mws n SER 462 Ca 0.22 -1.12 -0.43 0.00 -1.33 0.00 0.00 58.87 56.21 1mws n SER 462 Cb 0.69 -2.69 -0.02 0.00 -0.75 0.00 0.00 64.21 61.44 1mws n SER 462 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mws s ASP 463 N -3.66 6.14 0.26 -3.46 2.15 0.12 -4.83 116.67 113.40 1mws s ASP 463 Ca 0.39 1.03 -0.05 0.00 0.43 0.00 0.00 52.55 54.36 1mws s ASP 463 Cb -0.17 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.22 1mws s ASP 463 CO 0.91 -1.56 1.91 0.78 -0.17 0.00 0.00 175.17 177.04 1mws h ASN 464 N 11.66 1.06 -0.16 -0.34 2.35 -1.87 -3.10 115.58 125.18 1mws h ASN 464 Ca -0.30 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 1mws h ASN 464 Cb 1.13 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1mws h ASN 464 CO 1.06 0.81 0.07 0.40 -1.65 0.00 0.00 177.43 178.12 1mws h ILE 465 N 1.23 1.15 -0.46 2.81 2.04 -1.89 -1.57 117.51 120.83 1mws h ILE 465 Ca 0.32 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1mws h ILE 465 Cb -0.06 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1mws h ILE 465 CO -0.06 0.14 0.05 0.15 0.00 0.00 0.00 178.15 178.44 1mws h PHE 466 N 0.11 0.07 0.00 1.37 3.57 -1.96 0.12 116.94 120.23 1mws h PHE 466 Ca 0.06 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1mws h PHE 466 Cb 0.17 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1mws h PHE 466 CO -0.01 -0.04 -0.36 0.74 -2.23 0.00 0.00 178.31 176.40 1mws h PHE 467 N 0.17 0.00 -0.48 0.41 -1.00 -1.47 -0.53 116.94 114.05 1mws h PHE 467 Ca 0.23 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.87 1mws h PHE 467 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1mws h PHE 467 CO -0.25 0.36 -0.23 0.00 -1.61 0.00 0.00 178.31 176.57 1mws h ALA 468 N 1.64 0.68 -0.61 2.45 0.00 -0.53 -2.03 119.26 120.85 1mws h ALA 468 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1mws h ALA 468 Cb 1.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1mws h ALA 468 CO 0.05 0.68 0.08 0.00 0.00 0.00 0.00 179.25 180.05 1mws h ARG 469 N 0.86 1.03 -0.88 0.00 2.47 -0.32 -1.78 114.38 115.76 1mws h ARG 469 Ca 0.11 -0.29 0.01 0.00 -1.26 0.00 0.00 59.98 58.55 1mws h ARG 469 Cb 0.82 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.98 1mws h ARG 469 CO 0.07 0.97 0.58 0.28 0.56 0.00 0.00 179.97 182.43 1mws h VAL 470 N 0.93 1.22 -0.29 2.04 2.07 -0.88 -1.58 116.25 119.76 1mws h VAL 470 Ca 0.18 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.14 1mws h VAL 470 Cb 0.46 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1mws h VAL 470 CO 0.02 0.22 -0.46 0.00 0.02 0.00 0.00 177.57 177.36 1mws h ALA 471 N 1.45 0.65 -0.53 1.67 0.00 -0.96 -2.64 119.26 118.90 1mws h ALA 471 Ca 0.32 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1mws h ALA 471 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mws h ALA 471 CO -0.07 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.67 1mws h LEU 472 N 0.60 1.00 -0.39 0.00 3.38 -0.97 -1.65 115.31 117.28 1mws h LEU 472 Ca 0.03 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1mws h LEU 472 Cb 1.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1mws h LEU 472 CO 0.10 1.12 0.26 -0.33 0.09 0.00 0.00 178.44 179.67 1mws h GLU 473 N 0.89 0.51 -0.59 1.13 4.39 -1.24 -2.84 114.58 116.84 1mws h GLU 473 Ca 0.14 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1mws h GLU 473 Cb 0.67 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1mws h GLU 473 CO 0.05 0.34 0.39 -0.07 -1.16 0.00 0.00 179.01 178.55 1mws h LEU 474 N 0.52 0.67 0.00 1.33 3.38 -1.26 -3.49 115.31 116.46 1mws h LEU 474 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1mws h LEU 474 Cb -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1mws h LEU 474 CO -0.03 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1mws n GLY 475 N -1.26 -1.95 0.00 0.83 0.00 -0.64 -4.20 105.19 97.96 1mws n GLY 475 Ca 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1mws n GLY 475 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mws n SER 476 N -1.60 0.00 -0.40 1.61 7.64 -1.26 -0.92 113.62 118.69 1mws n SER 476 Ca 0.00 0.93 -0.09 0.00 1.01 0.00 0.00 58.87 60.73 1mws n SER 476 Cb 0.00 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 1mws n SER 476 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mws n LYS 477 N -2.38 -0.39 -0.27 1.43 5.02 -1.26 -0.14 118.16 120.18 1mws n LYS 477 Ca 0.00 1.47 0.01 0.00 -2.02 0.00 0.00 58.31 57.78 1mws n LYS 477 Cb 0.00 -2.17 0.14 0.00 -0.02 0.00 0.00 35.03 32.98 1mws n LYS 477 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mws h LYS 478 N 0.00 0.73 0.51 1.97 1.57 -1.70 0.15 116.57 119.81 1mws h LYS 478 Ca 0.19 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1mws h LYS 478 Cb 0.44 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1mws h LYS 478 CO -0.92 0.48 -0.25 0.35 -0.57 0.00 0.00 179.45 178.54 1mws h PHE 479 N 0.75 -0.64 -0.30 -1.35 3.57 0.13 0.11 116.94 119.22 1mws h PHE 479 Ca 0.36 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.91 1mws h PHE 479 Cb 0.29 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1mws h PHE 479 CO -0.07 -0.32 -0.13 0.93 -2.23 0.00 0.00 178.31 176.48 1mws h GLU 480 N -0.87 -0.08 -0.85 1.11 5.08 -0.24 0.27 114.58 118.99 1mws h GLU 480 Ca -0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1mws h GLU 480 Cb 0.60 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1mws h GLU 480 CO 0.12 -0.05 0.55 0.87 -1.00 0.00 0.00 179.01 179.49 1mws h LYS 481 N -0.09 1.02 -0.71 2.33 1.57 -0.69 -1.87 116.57 118.14 1mws h LYS 481 Ca 0.15 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1mws h LYS 481 Cb 0.32 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1mws h LYS 481 CO -0.35 0.67 0.46 0.78 -0.57 0.00 0.00 179.45 180.44 1mws h GLY 482 N 1.05 1.00 0.92 3.86 0.00 0.40 0.23 103.07 110.53 1mws h GLY 482 Ca 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1mws h GLY 482 CO -0.13 0.37 0.12 -0.33 0.00 0.00 0.00 176.54 176.57 1mws h MET 483 N 0.96 0.50 -0.12 4.80 2.86 -0.56 -2.34 114.93 121.03 1mws h MET 483 Ca 0.26 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1mws h MET 483 Cb -0.10 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1mws h MET 483 CO -0.06 0.51 -0.18 0.87 1.06 0.00 0.00 176.91 179.11 1mws h LYS 484 N 0.38 0.19 -0.20 1.72 1.57 -0.93 -0.43 116.57 118.86 1mws h LYS 484 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1mws h LYS 484 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1mws h LYS 484 CO -0.01 0.38 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.97 1mws h LYS 485 N 0.18 0.31 -0.00 3.15 3.64 -0.19 0.10 116.57 123.75 1mws h LYS 485 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1mws h LYS 485 Cb 0.44 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1mws h LYS 485 CO 0.03 0.39 -0.07 1.28 -2.27 0.00 0.00 179.45 178.81 1mws n LEU 486 N -4.31 0.14 0.00 5.20 4.77 -0.30 -4.91 117.00 117.60 1mws n LEU 486 Ca -0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1mws n LEU 486 Cb 0.24 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1mws n LEU 486 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1mws n GLY 487 N 1.39 0.57 3.62 -0.72 0.00 0.35 -4.92 105.19 105.48 1mws n GLY 487 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1mws n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mws s VAL 488 N -2.29 3.53 0.00 1.61 1.01 -0.46 -2.18 120.40 121.62 1mws s VAL 488 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1mws s VAL 488 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1mws s VAL 488 CO 0.00 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1mws n GLY 489 N 5.03 2.98 3.65 4.51 0.00 -1.26 -4.07 105.19 116.03 1mws n GLY 489 Ca 0.21 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1mws n GLY 489 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mws s GLU 490 N 0.00 0.15 0.21 1.61 2.02 -0.93 -4.59 118.70 117.17 1mws s GLU 490 Ca 0.00 0.49 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 1mws s GLU 490 Cb 0.00 -1.71 -0.08 0.00 0.10 0.00 0.00 34.13 32.44 1mws s GLU 490 CO 0.00 -2.92 1.10 -0.51 0.02 0.00 0.00 175.26 172.95 1mws s ASP 491 N -3.39 7.28 -0.34 -0.19 1.01 -1.26 -4.59 116.67 115.18 1mws s ASP 491 Ca 0.66 2.15 -0.29 0.00 0.71 0.00 0.00 52.55 55.78 1mws s ASP 491 Cb -0.19 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.14 1mws s ASP 491 CO 0.58 -0.18 1.13 -0.63 0.21 0.00 0.00 175.17 176.28 1mws s ILE 492 N -0.59 4.39 -0.81 0.77 1.01 -1.26 -4.92 121.20 119.80 1mws s ILE 492 Ca 0.47 1.58 -0.13 0.00 0.00 0.00 0.00 60.65 62.57 1mws s ILE 492 Cb -0.30 -4.40 -0.10 0.00 0.01 0.00 0.00 42.46 37.67 1mws s ILE 492 CO 0.37 -0.56 1.98 -0.81 0.00 0.00 0.00 174.94 175.92 1mws n PRO 493 N 7.10 1.72 -4.38 2.79 -0.04 -1.26 -4.88 135.00 136.06 1mws n PRO 493 Ca 0.12 -1.60 -0.28 0.00 -0.04 0.00 0.00 63.50 61.70 1mws n PRO 493 Cb 0.47 -2.66 -0.08 0.00 -0.04 0.00 0.00 33.50 31.20 1mws n PRO 493 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mws s SER 494 N 4.24 4.23 -0.10 3.54 0.15 -1.26 -4.45 113.70 120.05 1mws s SER 494 Ca 0.47 -1.31 0.19 0.00 0.70 0.00 0.00 55.95 56.00 1mws s SER 494 Cb 0.12 -0.12 0.72 0.00 -1.71 0.00 0.00 66.02 65.03 1mws s SER 494 CO 0.04 -0.66 1.63 -0.90 1.20 0.00 0.00 173.24 174.55 1mws n ASP 495 N -1.23 4.69 -3.94 5.45 3.85 -1.26 -4.87 116.55 119.24 1mws n ASP 495 Ca -0.06 -2.38 -0.10 0.00 -0.71 0.00 0.00 54.79 51.54 1mws n ASP 495 Cb 0.66 -0.57 -0.12 0.00 -1.35 0.00 0.00 41.12 39.73 1mws n ASP 495 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1mws s TYR 496 N -1.72 0.16 -0.73 2.11 6.14 -1.26 -4.90 117.35 117.16 1mws s TYR 496 Ca 0.52 -0.31 -0.24 0.00 0.64 0.00 0.00 57.07 57.67 1mws s TYR 496 Cb 0.32 -0.12 0.05 0.00 0.42 0.00 0.00 41.96 42.64 1mws s TYR 496 CO 0.27 -0.11 1.14 -1.25 0.64 0.00 0.00 175.55 176.23 1mws s PRO 497 N -0.85 3.19 -0.01 4.97 0.04 -1.26 -5.00 135.00 136.08 1mws s PRO 497 Ca -0.09 -0.62 -0.08 0.00 0.04 0.00 0.00 61.00 60.25 1mws s PRO 497 Cb -0.06 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 1mws s PRO 497 CO -0.01 -1.99 0.28 -0.06 0.04 0.00 0.00 177.00 175.27 1mws s PHE 498 N 4.81 3.60 0.25 0.56 0.40 -1.26 -4.95 117.98 121.39 1mws s PHE 498 Ca 0.30 0.64 -0.30 0.00 -0.60 0.00 0.00 56.93 56.97 1mws s PHE 498 Cb -0.12 -2.04 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 1mws s PHE 498 CO 0.10 0.63 1.24 0.71 0.70 0.00 0.00 175.22 178.60 1mws s TYR 499 N -1.24 3.31 0.39 0.36 1.51 -0.20 -4.75 117.35 116.73 1mws s TYR 499 Ca 0.26 1.42 -0.27 0.00 -1.01 0.00 0.00 57.07 57.47 1mws s TYR 499 Cb -0.14 -3.52 -0.09 0.00 -0.11 0.00 0.00 41.96 38.11 1mws s TYR 499 CO 0.14 -1.44 1.31 -0.80 -1.11 0.00 0.00 175.55 173.65 1mws s ASN 500 N -0.19 6.42 0.90 2.29 -0.87 -1.26 -4.39 114.94 117.84 1mws s ASN 500 Ca 0.51 2.67 -0.11 0.00 -1.57 0.00 0.00 52.86 54.36 1mws s ASN 500 Cb -0.36 -2.64 0.19 0.00 -0.02 0.00 0.00 41.25 38.43 1mws s ASN 500 CO 0.42 -0.78 1.23 0.00 -2.57 0.00 0.00 177.10 175.41 1mws s ALA 501 N -1.23 2.73 -0.13 0.60 0.00 -1.26 -4.89 121.76 117.57 1mws s ALA 501 Ca 0.55 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 1mws s ALA 501 Cb -0.39 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1mws s ALA 501 CO 0.50 -2.21 0.37 1.14 0.00 0.00 0.00 175.76 175.57 1mws s GLN 502 N -5.67 0.45 0.04 0.00 -2.07 -0.62 -4.14 119.66 107.65 1mws s GLN 502 Ca 0.73 0.48 -0.10 0.00 -1.82 0.00 0.00 55.36 54.65 1mws s GLN 502 Cb -0.03 0.22 -0.32 0.00 -1.09 0.00 0.00 33.01 31.79 1mws s GLN 502 CO 0.51 -0.06 1.03 0.82 -1.32 0.00 0.00 175.29 176.26 1mws h ILE 503 N 4.51 1.34 -1.88 3.63 2.04 -1.86 -1.55 117.51 123.74 1mws h ILE 503 Ca -0.27 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 62.74 1mws h ILE 503 Cb 1.18 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.23 1mws h ILE 503 CO 0.28 0.85 0.00 -1.54 0.00 0.00 0.00 178.15 177.74 1mws n SER 504 N -3.61 0.00 -0.01 1.72 3.41 -1.26 -3.10 113.62 110.77 1mws n SER 504 Ca -0.14 -0.88 0.06 0.00 -0.26 0.00 0.00 58.87 57.65 1mws n SER 504 Cb 1.07 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 1mws n SER 504 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mws n ASN 505 N -1.18 0.20 0.00 4.04 3.02 -1.26 -4.89 115.26 115.18 1mws n ASN 505 Ca 0.00 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1mws n ASN 505 Cb 0.00 1.41 0.00 0.00 -0.61 0.00 0.00 39.78 40.58 1mws n ASN 505 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mws n LYS 506 N -2.48 0.00 -2.16 3.52 5.02 -1.26 -5.17 118.16 115.64 1mws n LYS 506 Ca -0.10 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.15 1mws n LYS 506 Cb 0.71 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.72 1mws n LYS 506 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1mws n ASN 507 N -1.39 -0.61 -0.98 4.39 0.23 -1.26 -5.06 115.26 110.58 1mws n ASN 507 Ca 0.00 -1.59 0.03 0.00 -0.53 0.00 0.00 54.58 52.49 1mws n ASN 507 Cb 0.00 1.06 0.23 0.00 -2.08 0.00 0.00 39.78 38.99 1mws n ASN 507 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1mws n LEU 508 N 0.00 3.96 -0.36 -4.53 4.77 -1.26 -4.70 117.00 114.88 1mws n LEU 508 Ca -0.01 -3.33 0.05 0.00 -0.03 0.00 0.00 56.01 52.69 1mws n LEU 508 Cb 0.20 -0.58 0.21 0.00 -2.33 0.00 0.00 43.42 40.92 1mws n LEU 508 CO 0.10 0.91 1.24 0.44 -1.33 0.00 0.00 177.39 178.75 1mws h ASP 509 N 1.36 0.95 -2.66 -1.43 3.45 -1.97 -3.41 116.42 112.71 1mws h ASP 509 Ca 0.10 0.03 -0.55 0.00 0.43 0.00 0.00 57.03 57.04 1mws h ASP 509 Cb 1.54 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 40.13 1mws h ASP 509 CO 0.30 0.55 1.07 0.21 -1.57 0.00 0.00 179.24 179.79 1mws s ASN 510 N -5.76 6.67 0.36 6.45 3.84 -1.26 -4.91 114.94 120.33 1mws s ASN 510 Ca -0.12 2.09 0.04 0.00 0.21 0.00 0.00 52.86 55.08 1mws s ASN 510 Cb 0.21 -2.53 0.70 0.00 -0.55 0.00 0.00 41.25 39.08 1mws s ASN 510 CO 0.81 -0.95 2.01 -0.33 -2.79 0.00 0.00 177.10 175.85 1mws h GLU 511 N 9.52 0.76 -0.26 0.43 5.08 -2.00 -1.74 114.58 126.37 1mws h GLU 511 Ca -0.37 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1mws h GLU 511 Cb 1.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1mws h GLU 511 CO 0.96 0.50 -0.27 0.82 -1.00 0.00 0.00 179.01 180.03 1mws h ILE 512 N 0.78 1.31 -0.65 3.13 2.04 -1.94 0.06 117.51 122.25 1mws h ILE 512 Ca 0.23 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1mws h ILE 512 Cb -0.02 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1mws h ILE 512 CO -0.06 0.45 0.33 0.25 0.00 0.00 0.00 178.15 179.13 1mws h LEU 513 N 0.36 0.81 -0.31 1.44 7.12 -1.88 0.14 115.31 122.98 1mws h LEU 513 Ca 0.04 -0.07 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 1mws h LEU 513 Cb 0.83 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1mws h LEU 513 CO 0.07 0.67 0.14 0.25 -0.13 0.00 0.00 178.44 179.43 1mws h LEU 514 N 0.90 0.42 0.37 2.25 6.46 -1.08 -0.33 115.31 124.30 1mws h LEU 514 Ca 0.23 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1mws h LEU 514 Cb 0.06 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1mws h LEU 514 CO -0.03 0.45 -0.21 0.00 -0.62 0.00 0.00 178.44 178.02 1mws h ALA 515 N 0.99 -0.55 -0.73 1.25 0.00 0.01 -2.35 119.26 117.88 1mws h ALA 515 Ca 0.11 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1mws h ALA 515 Cb 0.15 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1mws h ALA 515 CO -0.01 -0.82 0.48 -0.44 0.00 0.00 0.00 179.25 178.46 1mws h ASP 516 N -0.55 0.54 0.62 0.00 3.32 -0.62 -0.24 116.42 119.48 1mws h ASP 516 Ca -0.04 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1mws h ASP 516 Cb 0.45 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1mws h ASP 516 CO 0.06 0.32 -0.28 0.28 -1.72 0.00 0.00 179.24 177.89 1mws h SER 517 N 0.59 0.00 -1.00 6.45 0.02 -0.69 0.77 113.55 119.69 1mws h SER 517 Ca 0.34 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.40 1mws h SER 517 Cb 0.52 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.98 1mws h SER 517 CO -0.12 0.28 0.63 1.23 -1.14 0.00 0.00 176.83 177.71 1mws h GLY 518 N 1.51 1.62 -1.88 -3.77 0.00 -0.51 -2.24 103.07 97.79 1mws h GLY 518 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1mws h GLY 518 CO 0.04 0.17 0.01 1.58 0.00 0.00 0.00 176.54 178.34 1mws n TYR 519 N -4.61 1.11 -1.20 5.60 0.18 -1.15 -4.32 117.16 112.79 1mws n TYR 519 Ca 0.19 -1.14 -0.07 0.00 1.88 0.00 0.00 57.90 58.76 1mws n TYR 519 Cb 0.35 -0.40 -0.03 0.00 -0.38 0.00 0.00 39.34 38.87 1mws n TYR 519 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1mws n GLY 520 N -0.71 0.90 1.24 -7.48 0.00 -0.84 -4.74 105.19 93.57 1mws n GLY 520 Ca 0.27 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1mws n GLY 520 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mws n GLN 521 N -2.72 2.66 0.00 1.61 -0.06 0.25 -3.66 117.38 115.46 1mws n GLN 521 Ca -0.07 -3.01 0.00 0.00 -2.00 0.00 0.00 57.00 51.92 1mws n GLN 521 Cb 0.23 -1.92 0.00 0.00 -4.06 0.00 0.00 30.24 24.50 1mws n GLN 521 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1mws n GLY 522 N -0.69 1.13 0.61 1.69 0.00 -1.17 -4.74 105.19 102.01 1mws n GLY 522 Ca 0.31 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.38 1mws n GLY 522 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mws n GLU 523 N 0.00 2.77 -2.25 1.61 1.02 -1.26 -4.98 120.64 117.55 1mws n GLU 523 Ca 0.00 -2.00 -0.41 0.00 -0.02 0.00 0.00 57.16 54.74 1mws n GLU 523 Cb 0.00 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1mws n GLU 523 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mws s ILE 524 N -1.00 3.07 -0.04 -3.67 1.01 -1.18 -4.11 121.20 115.28 1mws s ILE 524 Ca 0.22 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.90 1mws s ILE 524 Cb 0.12 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1mws s ILE 524 CO 0.15 0.22 -0.05 -0.76 0.00 0.00 0.00 174.94 174.50 1mws s LEU 525 N -1.26 1.42 -0.04 2.97 1.43 -0.58 -4.27 118.68 118.35 1mws s LEU 525 Ca 0.50 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1mws s LEU 525 Cb -0.37 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1mws s LEU 525 CO 0.46 -0.03 0.17 -0.63 0.23 0.00 0.00 176.35 176.55 1mws s ILE 526 N 0.76 0.04 0.29 -0.59 1.01 0.22 -1.59 121.20 121.33 1mws s ILE 526 Ca -0.10 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 1mws s ILE 526 Cb -0.13 -0.35 -0.09 0.00 0.01 0.00 0.00 42.46 41.90 1mws s ILE 526 CO 0.00 -0.16 1.09 0.21 0.00 0.00 0.00 174.94 176.08 1mws s ASN 527 N -0.55 7.24 0.40 3.58 3.84 -1.26 -1.41 114.94 126.78 1mws s ASN 527 Ca -0.06 2.23 0.15 0.00 0.21 0.00 0.00 52.86 55.39 1mws s ASN 527 Cb -0.04 -2.62 1.02 0.00 -0.55 0.00 0.00 41.25 39.06 1mws s ASN 527 CO 0.01 -0.16 1.87 -0.65 -2.79 0.00 0.00 177.10 175.37 1mws h PRO 528 N 3.70 0.46 -0.27 0.43 0.11 -1.82 -1.64 132.00 132.96 1mws h PRO 528 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1mws h PRO 528 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1mws h PRO 528 CO 0.66 0.30 -0.37 0.28 -0.21 0.00 0.00 178.00 178.66 1mws h VAL 529 N 0.47 1.29 -0.08 3.15 2.07 -1.92 -1.92 116.25 119.31 1mws h VAL 529 Ca 0.45 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.30 1mws h VAL 529 Cb 1.02 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1mws h VAL 529 CO -0.18 0.49 -0.58 -0.61 0.02 0.00 0.00 177.57 176.71 1mws h GLN 530 N 0.51 0.24 -0.45 1.57 4.15 -1.70 -1.07 115.11 118.36 1mws h GLN 530 Ca 0.05 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 1mws h GLN 530 Cb 0.88 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1mws h GLN 530 CO 0.08 0.75 0.14 0.82 -1.93 0.00 0.00 178.83 178.69 1mws h ILE 531 N 0.18 1.22 -0.55 2.39 2.04 -1.19 -1.51 117.51 120.11 1mws h ILE 531 Ca -0.00 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1mws h ILE 531 Cb 1.07 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1mws h ILE 531 CO 0.09 0.26 0.21 -0.07 0.00 0.00 0.00 178.15 178.65 1mws h LEU 532 N 0.58 0.72 -0.51 1.44 3.38 -1.11 -1.70 115.31 118.11 1mws h LEU 532 Ca 0.14 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1mws h LEU 532 Cb 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1mws h LEU 532 CO -0.00 0.65 0.27 0.28 0.09 0.00 0.00 178.44 179.73 1mws h SER 533 N 0.78 0.41 -0.34 -0.43 0.02 -0.49 0.65 113.55 114.15 1mws h SER 533 Ca 0.19 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1mws h SER 533 Cb 0.16 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1mws h SER 533 CO -0.02 0.28 -0.13 0.40 -1.14 0.00 0.00 176.83 176.22 1mws h ILE 534 N 0.54 1.28 -0.15 3.27 2.04 -0.87 -3.02 117.51 120.61 1mws h ILE 534 Ca 0.22 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1mws h ILE 534 Cb 0.10 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1mws h ILE 534 CO -0.14 0.40 -0.19 1.88 0.00 0.00 0.00 178.15 180.11 1mws h TYR 535 N 0.47 0.26 0.00 1.37 -1.99 -1.04 -2.82 116.97 113.22 1mws h TYR 535 Ca 0.08 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1mws h TYR 535 Cb 0.66 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1mws h TYR 535 CO 0.06 0.42 0.00 -1.13 -0.00 0.00 0.00 178.16 177.51 1mws n SER 536 N -4.22 0.13 0.27 3.88 3.41 0.20 -1.48 113.62 115.80 1mws n SER 536 Ca -0.01 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1mws n SER 536 Cb 0.31 -0.56 0.77 0.00 -0.26 0.00 0.00 64.21 64.47 1mws n SER 536 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mws h ALA 537 N 2.33 1.36 -0.02 7.33 0.00 -1.59 0.26 119.26 128.93 1mws h ALA 537 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mws h ALA 537 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mws h ALA 537 CO 0.00 0.11 0.04 -0.07 0.00 0.00 0.00 179.25 179.33 1mws h LEU 538 N 0.00 0.00 -2.69 0.00 3.38 -1.47 -1.13 115.31 113.39 1mws h LEU 538 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1mws h LEU 538 Cb 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1mws h LEU 538 CO 0.01 0.00 -0.43 -0.62 0.09 0.00 0.00 178.44 177.49 1mws n GLU 539 N -3.56 0.72 -2.35 1.13 -0.58 0.01 -4.66 120.64 111.35 1mws n GLU 539 Ca -0.02 -2.13 -0.10 0.00 -0.42 0.00 0.00 57.16 54.48 1mws n GLU 539 Cb 0.12 -0.95 0.04 0.00 -0.57 0.00 0.00 31.44 30.08 1mws n GLU 539 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mws n ASN 540 N -0.60 3.06 -4.16 1.62 4.05 -0.76 -4.36 115.26 114.11 1mws n ASN 540 Ca 0.10 -2.86 -0.34 0.00 0.45 0.00 0.00 54.58 51.93 1mws n ASN 540 Cb 0.76 -0.41 -0.02 0.00 1.23 0.00 0.00 39.78 41.33 1mws n ASN 540 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mws n ASN 541 N -0.63 -2.78 0.00 1.20 3.02 -1.24 -0.97 115.26 113.87 1mws n ASN 541 Ca 0.24 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1mws n ASN 541 Cb 0.89 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 37.19 1mws n ASN 541 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mws n GLY 542 N -1.55 0.85 3.60 7.41 0.00 -0.48 -4.87 105.19 110.16 1mws n GLY 542 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1mws n GLY 542 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mws s ASN 543 N -2.84 4.38 -0.27 1.61 0.01 -0.14 -0.40 114.94 117.29 1mws s ASN 543 Ca 0.00 -0.60 -0.06 0.00 -0.71 0.00 0.00 52.86 51.49 1mws s ASN 543 Cb 0.00 -0.78 -0.00 0.00 0.41 0.00 0.00 41.25 40.88 1mws s ASN 543 CO 0.00 0.06 0.05 -0.63 -1.51 0.00 0.00 177.10 175.07 1mws s ILE 544 N -1.96 3.92 0.50 0.60 1.01 0.35 -3.90 121.20 121.71 1mws s ILE 544 Ca 0.28 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1mws s ILE 544 Cb -0.08 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1mws s ILE 544 CO 0.17 0.22 0.83 0.20 0.00 0.00 0.00 174.94 176.37 1mws s ASN 545 N 1.52 6.29 0.11 3.58 -0.87 -1.26 0.13 114.94 124.44 1mws s ASN 545 Ca 0.04 1.05 -0.30 0.00 -1.57 0.00 0.00 52.86 52.08 1mws s ASN 545 Cb -0.16 -2.30 -0.06 0.00 -0.02 0.00 0.00 41.25 38.70 1mws s ASN 545 CO 0.01 -0.61 1.18 0.00 -2.57 0.00 0.00 177.10 175.11 1mws s ALA 546 N -2.78 3.40 0.12 0.60 0.00 -0.28 -4.63 121.76 118.19 1mws s ALA 546 Ca 0.49 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 1mws s ALA 546 Cb -0.10 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1mws s ALA 546 CO 0.45 -0.38 1.02 -1.25 0.00 0.00 0.00 175.76 175.60 1mws s PRO 547 N 0.56 4.64 0.07 0.00 0.04 -1.26 -4.46 135.00 134.59 1mws s PRO 547 Ca 0.56 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 1mws s PRO 547 Cb -0.30 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 30.92 1mws s PRO 547 CO 0.32 0.12 0.37 -3.38 0.04 0.00 0.00 177.00 174.46 1mws s HIS 548 N 0.06 -0.17 -0.27 0.56 -3.43 -0.11 -4.17 115.29 107.75 1mws s HIS 548 Ca 0.49 -0.01 0.02 0.00 -0.80 0.00 0.00 55.06 54.76 1mws s HIS 548 Cb -0.26 0.18 0.01 0.00 -1.43 0.00 0.00 32.58 31.09 1mws s HIS 548 CO 0.31 -0.59 0.53 1.47 -2.00 0.00 0.00 174.74 174.46 1mws n LEU 549 N 0.24 1.10 -4.75 5.38 -0.00 -1.26 -0.85 117.00 116.87 1mws n LEU 549 Ca -0.17 -0.96 -0.35 0.00 -0.00 0.00 0.00 56.01 54.52 1mws n LEU 549 Cb 0.61 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.95 1mws n LEU 549 CO 0.20 0.25 -0.17 -0.76 -0.00 0.00 0.00 177.39 176.91 1mws s LEU 550 N -0.35 4.23 0.34 1.47 1.43 -1.26 -0.85 118.68 123.70 1mws s LEU 550 Ca 0.03 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1mws s LEU 550 Cb 0.02 -2.11 0.71 0.00 0.03 0.00 0.00 46.19 44.84 1mws s LEU 550 CO 0.03 0.20 1.90 0.50 0.23 0.00 0.00 176.35 179.22 1mws h LYS 551 N 6.46 0.78 0.00 1.70 1.63 -1.37 -2.17 116.57 123.60 1mws h LYS 551 Ca -0.43 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1mws h LYS 551 Cb 1.16 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1mws h LYS 551 CO 0.74 0.52 0.00 -0.44 -3.45 0.00 0.00 179.45 176.82 1mws h ASP 552 N 0.81 0.00 -3.38 4.20 3.32 -1.94 -3.44 116.42 115.99 1mws h ASP 552 Ca 0.40 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.92 1mws h ASP 552 Cb 0.44 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.03 1mws h ASP 552 CO -0.16 0.00 0.65 -0.89 -1.72 0.00 0.00 179.24 177.12 1mws s THR 553 N -3.40 3.22 0.30 0.35 2.01 -0.82 -4.98 115.64 112.32 1mws s THR 553 Ca 0.04 1.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.85 1mws s THR 553 Cb 0.09 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1mws s THR 553 CO 0.53 0.15 0.81 -1.59 -0.69 0.00 0.00 174.62 173.83 1mws s LYS 554 N -0.10 4.27 0.46 4.92 0.00 -1.26 -4.96 119.74 123.07 1mws s LYS 554 Ca 0.57 0.97 -0.23 0.00 0.00 0.00 0.00 55.97 57.28 1mws s LYS 554 Cb -0.36 -2.66 -0.07 0.00 0.00 0.00 0.00 37.83 34.73 1mws s LYS 554 CO 0.38 0.25 1.16 -0.80 0.00 0.00 0.00 175.35 176.34 1mws s ASN 555 N -1.86 6.20 -0.26 0.03 0.01 -1.26 -5.01 114.94 112.78 1mws s ASN 555 Ca 0.50 2.30 -0.18 0.00 -0.71 0.00 0.00 52.86 54.76 1mws s ASN 555 Cb -0.15 -2.60 0.07 0.00 0.41 0.00 0.00 41.25 38.99 1mws s ASN 555 CO 0.20 -0.90 0.66 -1.59 -1.51 0.00 0.00 177.10 173.96 1mws s LYS 556 N -2.69 0.71 0.47 -0.60 -2.85 -1.26 -5.05 119.74 108.47 1mws s LYS 556 Ca 0.63 1.09 -0.24 0.00 -1.00 0.00 0.00 55.97 56.45 1mws s LYS 556 Cb -0.28 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.62 1mws s LYS 556 CO 0.34 -0.13 1.38 0.08 0.10 0.00 0.00 175.35 177.12 1mws s VAL 557 N 1.18 2.19 -0.11 1.79 1.01 -1.26 -1.13 120.40 124.07 1mws s VAL 557 Ca -0.07 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1mws s VAL 557 Cb -0.05 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 1mws s VAL 557 CO -0.12 0.02 -0.09 1.87 0.00 0.00 0.00 175.10 176.77 1mws n TRP 558 N -0.37 0.00 -3.83 5.22 -0.00 0.36 -4.70 117.44 114.11 1mws n TRP 558 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.43 1mws n TRP 558 Cb 0.43 -0.43 -0.15 0.00 -0.00 0.00 0.00 31.31 31.17 1mws n TRP 558 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1mws s LYS 559 N -2.22 -0.00 0.17 5.87 -0.14 -0.39 -4.98 119.74 118.04 1mws s LYS 559 Ca -0.14 0.08 0.08 0.00 -1.36 0.00 0.00 55.97 54.62 1mws s LYS 559 Cb 0.04 -0.08 -0.04 0.00 -1.68 0.00 0.00 37.83 36.07 1mws s LYS 559 CO 0.26 -0.06 -0.03 0.15 -0.76 0.00 0.00 175.35 174.92 1mws s LYS 560 N 0.37 2.31 -1.07 1.68 1.02 -1.26 -0.50 119.74 122.29 1mws s LYS 560 Ca -0.03 -1.14 -0.21 0.00 0.02 0.00 0.00 55.97 54.61 1mws s LYS 560 Cb -0.04 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1mws s LYS 560 CO -0.01 0.45 0.66 0.09 -0.92 0.00 0.00 175.35 175.63 1mws n ASN 561 N -0.02 -4.54 0.02 2.83 3.02 -1.24 -4.87 115.26 110.45 1mws n ASN 561 Ca -0.10 -1.15 -0.09 0.00 -0.03 0.00 0.00 54.58 53.21 1mws n ASN 561 Cb 0.55 -1.85 -0.13 0.00 -0.61 0.00 0.00 39.78 37.74 1mws n ASN 561 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1mws h ILE 562 N -1.72 1.16 -2.17 2.41 1.08 -1.03 -3.47 117.51 113.77 1mws h ILE 562 Ca -0.67 -2.94 -0.06 0.00 -0.39 0.00 0.00 64.86 60.80 1mws h ILE 562 Cb 1.39 2.60 -0.22 0.00 -3.07 0.00 0.00 36.82 37.53 1mws h ILE 562 CO 0.46 0.70 0.05 -0.51 -0.69 0.00 0.00 178.15 178.16 1mws s ILE 563 N -2.64 0.00 0.69 -0.67 2.07 -1.22 -4.88 121.20 114.55 1mws s ILE 563 Ca -0.04 -0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.08 1mws s ILE 563 Cb 0.08 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.78 1mws s ILE 563 CO 0.83 -0.00 1.06 -0.94 -1.91 0.00 0.00 174.94 173.97 1mws s SER 564 N 0.22 5.42 0.17 4.50 1.04 -1.26 -4.28 113.70 119.51 1mws s SER 564 Ca -0.01 1.62 -0.15 0.00 0.48 0.00 0.00 55.95 57.89 1mws s SER 564 Cb -0.04 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1mws s SER 564 CO 0.02 -1.42 1.82 0.50 0.98 0.00 0.00 173.24 175.14 1mws h LYS 565 N -0.66 0.61 -0.65 4.02 3.64 -1.99 0.13 116.57 121.66 1mws h LYS 565 Ca -0.44 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1mws h LYS 565 Cb 1.21 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1mws h LYS 565 CO 0.57 0.40 0.35 1.05 -2.27 0.00 0.00 179.45 179.55 1mws h GLU 566 N 0.62 0.90 -0.42 1.90 4.11 -2.00 -2.35 114.58 117.34 1mws h GLU 566 Ca 0.18 -0.11 -0.08 0.00 0.07 0.00 0.00 59.36 59.43 1mws h GLU 566 Cb -0.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1mws h GLU 566 CO -0.06 0.69 -0.06 -0.91 0.07 0.00 0.00 179.01 178.74 1mws h ASN 567 N 0.88 0.69 -0.86 3.06 2.35 -1.80 -2.31 115.58 117.59 1mws h ASN 567 Ca 0.23 -0.18 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1mws h ASN 567 Cb 0.05 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 1mws h ASN 567 CO -0.04 0.80 0.54 0.40 -1.65 0.00 0.00 177.43 177.48 1mws h ILE 568 N 0.66 1.05 -0.26 2.81 2.04 -0.59 -1.32 117.51 121.91 1mws h ILE 568 Ca 0.12 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1mws h ILE 568 Cb 0.50 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1mws h ILE 568 CO 0.03 0.18 -0.07 0.78 0.00 0.00 0.00 178.15 179.06 1mws h ASN 569 N 0.99 0.39 -0.07 1.72 4.21 -0.91 -0.44 115.58 121.47 1mws h ASN 569 Ca 0.37 -0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.80 1mws h ASN 569 Cb 0.15 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1mws h ASN 569 CO -0.17 0.51 0.04 -0.07 -1.29 0.00 0.00 177.43 176.45 1mws h LEU 570 N 0.39 0.08 -0.28 1.61 4.07 -0.99 -1.36 115.31 118.83 1mws h LEU 570 Ca 0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1mws h LEU 570 Cb 0.37 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1mws h LEU 570 CO 0.02 0.12 0.01 -0.07 -1.08 0.00 0.00 178.44 177.44 1mws h LEU 571 N 0.04 0.47 -1.07 1.67 3.38 -1.01 -2.53 115.31 116.27 1mws h LEU 571 Ca 0.02 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1mws h LEU 571 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1mws h LEU 571 CO -0.00 0.65 -0.11 0.71 0.09 0.00 0.00 178.44 179.78 1mws h THR 572 N 0.28 1.23 -0.32 0.22 1.35 -1.05 0.06 112.91 114.68 1mws h THR 572 Ca 0.08 -1.01 0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1mws h THR 572 Cb 0.40 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1mws h THR 572 CO 0.01 0.33 0.20 0.44 -0.25 0.00 0.00 175.52 176.26 1mws h ASP 573 N 0.49 0.35 -0.40 5.36 3.32 -1.16 0.03 116.42 124.42 1mws h ASP 573 Ca 0.09 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1mws h ASP 573 Cb 0.49 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1mws h ASP 573 CO 0.03 0.25 0.16 1.23 -1.72 0.00 0.00 179.24 179.19 1mws h GLY 574 N 0.42 0.64 2.00 2.75 0.00 -1.00 -2.63 103.07 105.24 1mws h GLY 574 Ca 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1mws h GLY 574 CO -0.04 0.33 -0.07 -0.33 0.00 0.00 0.00 176.54 176.43 1mws h MET 575 N 0.50 0.00 -0.26 4.80 2.86 -0.53 -1.74 114.93 120.56 1mws h MET 575 Ca 0.13 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1mws h MET 575 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1mws h MET 575 CO -0.01 0.07 -0.31 0.37 1.06 0.00 0.00 176.91 178.09 1mws h GLN 576 N 0.00 0.53 -0.10 1.72 4.15 -0.62 -1.91 115.11 118.87 1mws h GLN 576 Ca -0.00 -0.23 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 1mws h GLN 576 Cb 0.16 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1mws h GLN 576 CO 0.01 0.78 -0.32 1.96 -1.93 0.00 0.00 178.83 179.32 1mws h GLN 577 N 0.45 0.20 -0.69 1.69 1.08 -1.22 0.12 115.11 116.74 1mws h GLN 577 Ca 0.06 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1mws h GLN 577 Cb 0.77 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1mws h GLN 577 CO 0.06 0.51 0.43 0.28 -0.95 0.00 0.00 178.83 179.16 1mws h VAL 578 N 0.17 1.10 0.00 -0.54 2.07 -1.33 0.50 116.25 118.23 1mws h VAL 578 Ca 0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1mws h VAL 578 Cb 0.67 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1mws h VAL 578 CO 0.05 0.16 -0.00 0.58 0.02 0.00 0.00 177.57 178.37 1mws h VAL 579 N 0.85 1.58 0.00 2.57 2.07 -1.48 0.11 116.25 121.95 1mws h VAL 579 Ca 0.27 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1mws h VAL 579 Cb 0.00 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1mws h VAL 579 CO -0.10 0.52 -0.11 0.78 0.02 0.00 0.00 177.57 178.69 1mws h ASN 580 N -0.97 0.00 0.00 0.57 2.35 -0.97 -2.11 115.58 114.44 1mws h ASN 580 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1mws h ASN 580 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1mws h ASN 580 CO 0.00 0.11 0.00 0.29 -1.65 0.00 0.00 177.43 176.18 1mws n LYS 581 N -3.68 0.00 -0.23 0.81 5.02 0.16 -4.56 118.16 115.67 1mws n LYS 581 Ca -0.02 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1mws n LYS 581 Cb 0.22 -0.02 0.16 0.00 -0.02 0.00 0.00 35.03 35.37 1mws n LYS 581 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1mws h THR 582 N 0.00 0.61 -0.28 -0.18 2.02 -1.42 -2.80 112.91 110.86 1mws h THR 582 Ca 0.00 -0.11 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 1mws h THR 582 Cb 0.00 0.25 -0.13 0.00 -1.74 0.00 0.00 68.15 66.53 1mws h THR 582 CO 0.00 0.06 -0.46 1.41 0.37 0.00 0.00 175.52 176.90 1mws n HIS 583 N -5.09 0.96 0.29 3.16 8.25 0.38 -4.76 115.22 118.41 1mws n HIS 583 Ca 0.12 -1.74 0.16 0.00 -0.26 0.00 0.00 57.72 56.01 1mws n HIS 583 Cb 0.40 -0.35 0.85 0.00 1.12 0.00 0.00 29.99 32.01 1mws n HIS 583 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1mws h LYS 584 N 1.31 0.00 0.00 -0.41 2.10 -1.09 -1.12 116.57 117.36 1mws h LYS 584 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1mws h LYS 584 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1mws h LYS 584 CO 0.30 0.06 -0.08 0.93 -2.00 0.00 0.00 179.45 178.66 1mws h GLU 585 N 0.00 0.00 0.00 0.07 4.39 -1.85 -3.31 114.58 113.87 1mws h GLU 585 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1mws h GLU 585 Cb 0.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1mws h GLU 585 CO 0.01 0.00 -1.97 -0.25 -1.16 0.00 0.00 179.01 175.63 1mws n ASP 586 N -2.30 1.52 -0.00 1.42 8.00 -0.54 -4.88 116.55 119.77 1mws n ASP 586 Ca 0.05 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.74 1mws n ASP 586 Cb 0.44 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 1mws n ASP 586 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mws n ILE 587 N -3.64 0.01 -1.76 0.53 3.06 -0.54 -4.23 119.36 112.80 1mws n ILE 587 Ca -0.34 -0.15 -0.41 0.00 -2.50 0.00 0.00 62.75 59.35 1mws n ILE 587 Cb 0.76 0.31 -0.00 0.00 0.54 0.00 0.00 39.64 41.25 1mws n ILE 587 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mws n TYR 588 N -1.74 2.83 -4.08 9.51 4.19 -1.23 -4.77 117.16 121.88 1mws n TYR 588 Ca -0.01 0.46 -0.15 0.00 3.31 0.00 0.00 57.90 61.51 1mws n TYR 588 Cb 0.18 -2.51 -0.14 0.00 0.49 0.00 0.00 39.34 37.36 1mws n TYR 588 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1mws s ARG 589 N -1.99 0.33 0.28 2.98 1.81 -1.26 -4.96 118.95 116.14 1mws s ARG 589 Ca 0.54 -0.13 0.07 0.00 -1.72 0.00 0.00 55.73 54.49 1mws s ARG 589 Cb -0.50 -0.33 0.42 0.00 -0.45 0.00 0.00 34.95 34.09 1mws s ARG 589 CO 0.63 0.07 1.67 0.77 -0.68 0.00 0.00 175.30 177.76 1mws h SER 590 N 6.15 0.23 0.23 0.23 0.02 -1.99 -3.19 113.55 115.23 1mws h SER 590 Ca -0.28 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1mws h SER 590 Cb 1.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1mws h SER 590 CO 0.50 0.66 -0.07 0.00 -1.14 0.00 0.00 176.83 176.78 1mws n TYR 591 N -3.98 0.00 -4.08 3.45 0.18 -1.26 -4.90 117.16 106.56 1mws n TYR 591 Ca -0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.66 1mws n TYR 591 Cb 0.51 -0.12 -0.09 0.00 -0.38 0.00 0.00 39.34 39.27 1mws n TYR 591 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1mws s ALA 592 N -2.30 0.54 -0.93 -3.48 0.00 -1.20 -4.99 121.76 109.39 1mws s ALA 592 Ca 0.34 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1mws s ALA 592 Cb 0.21 0.94 0.31 0.00 0.00 0.00 0.00 23.12 24.57 1mws s ALA 592 CO 0.43 -0.57 1.40 -1.71 0.00 0.00 0.00 175.76 175.31 1mws n ASN 593 N -0.17 6.04 -4.75 0.00 4.05 -1.26 -4.60 115.26 114.56 1mws n ASN 593 Ca -0.05 -3.54 -0.41 0.00 0.45 0.00 0.00 54.58 51.03 1mws n ASN 593 Cb 0.64 -1.05 -0.03 0.00 1.23 0.00 0.00 39.78 40.56 1mws n ASN 593 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1mws s LEU 594 N -3.30 4.46 0.17 1.20 1.43 -1.26 -0.87 118.68 120.50 1mws s LEU 594 Ca 0.37 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 55.92 1mws s LEU 594 Cb 0.14 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1mws s LEU 594 CO -0.01 -0.41 0.00 0.27 0.23 0.00 0.00 176.35 176.43 1mws s ILE 595 N -0.59 0.68 -0.89 -0.59 -4.36 -0.41 -4.72 121.20 110.31 1mws s ILE 595 Ca 0.51 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1mws s ILE 595 Cb -0.36 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.24 1mws s ILE 595 CO 0.43 -0.48 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1mws n GLY 596 N -0.24 -1.22 2.81 6.27 0.00 -0.74 -2.19 105.19 109.88 1mws n GLY 596 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1mws n GLY 596 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mws s LYS 597 N -0.36 -0.02 0.47 1.61 2.47 -0.45 -4.50 119.74 118.96 1mws s LYS 597 Ca 0.00 0.12 0.07 0.00 -1.56 0.00 0.00 55.97 54.60 1mws s LYS 597 Cb 0.00 -0.17 0.03 0.00 -1.46 0.00 0.00 37.83 36.23 1mws s LYS 597 CO 0.00 -0.11 0.64 -1.54 0.16 0.00 0.00 175.35 174.50 1mws s SER 598 N 0.70 5.50 -0.28 1.43 1.04 -1.26 -1.51 113.70 119.31 1mws s SER 598 Ca -0.06 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.79 1mws s SER 598 Cb -0.09 -0.55 0.11 0.00 0.10 0.00 0.00 66.02 65.59 1mws s SER 598 CO -0.02 -0.92 0.84 -0.83 0.98 0.00 0.00 173.24 173.29 1mws s GLY 599 N -4.41 -0.33 -0.11 7.32 0.00 -0.28 -4.09 107.32 105.42 1mws s GLY 599 Ca 0.57 2.73 -0.03 0.00 0.00 0.00 0.00 44.72 47.99 1mws s GLY 599 CO 0.35 2.41 0.04 -1.59 0.00 0.00 0.00 173.10 174.31 1mws s THR 600 N 1.34 0.19 0.15 0.90 2.01 -1.26 0.73 115.64 119.71 1mws s THR 600 Ca -0.08 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1mws s THR 600 Cb -0.04 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1mws s THR 600 CO -0.16 0.04 -0.18 0.00 -0.69 0.00 0.00 174.62 173.64 1mws s ALA 601 N 2.03 1.88 -0.21 7.40 0.00 0.69 -4.93 121.76 128.63 1mws s ALA 601 Ca 0.03 -1.42 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 1mws s ALA 601 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1mws s ALA 601 CO -0.06 0.23 0.66 -1.21 0.00 0.00 0.00 175.76 175.38 1mws s GLU 602 N -2.65 4.20 -0.49 0.00 2.02 -1.26 0.95 118.70 121.48 1mws s GLU 602 Ca 0.13 0.67 -0.34 0.00 0.02 0.00 0.00 54.97 55.45 1mws s GLU 602 Cb -0.06 -3.59 -0.13 0.00 0.10 0.00 0.00 34.13 30.45 1mws s GLU 602 CO 0.06 -0.29 2.31 1.47 0.02 0.00 0.00 175.26 178.82 1mws n LEU 603 N 5.23 1.76 -0.76 1.80 -0.00 -1.26 -4.90 117.00 118.86 1mws n LEU 603 Ca -0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1mws n LEU 603 Cb 0.49 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 1mws n LEU 603 CO 0.44 -0.87 0.00 1.17 -0.00 0.00 0.00 177.39 178.14 1mws n LYS 604 N 8.33 0.00 -3.11 1.47 3.00 -1.26 -5.10 118.16 121.48 1mws n LYS 604 Ca 0.46 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.37 1mws n LYS 604 Cb 0.23 -1.09 -0.05 0.00 0.00 0.00 0.00 35.03 34.11 1mws n LYS 604 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1mws s GLN 613 N -0.09 4.30 -0.13 1.64 2.00 -1.26 -5.29 119.66 120.82 1mws s GLN 613 Ca 0.00 0.69 -0.04 0.00 -2.00 0.00 0.00 55.36 54.00 1mws s GLN 613 Cb 0.00 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.25 1mws s GLN 613 CO 0.00 -0.10 0.03 0.42 -0.50 0.00 0.00 175.29 175.14 1mws s ILE 614 N 1.43 4.52 0.05 -2.34 -1.09 0.27 -0.31 121.20 123.73 1mws s ILE 614 Ca 0.31 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.66 1mws s ILE 614 Cb -0.16 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1mws s ILE 614 CO 0.13 0.54 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.36 1mws s GLY 615 N -0.31 1.57 0.06 6.18 0.00 0.15 -0.22 107.32 114.75 1mws s GLY 615 Ca 0.07 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 43.61 1mws s GLY 615 CO 0.02 -1.13 -0.13 -0.98 0.00 0.00 0.00 173.10 170.88 1mws s TRP 616 N -0.95 1.11 -0.29 1.90 0.52 0.22 -0.75 118.94 120.71 1mws s TRP 616 Ca 0.15 -0.46 -0.10 0.00 0.02 0.00 0.00 56.10 55.70 1mws s TRP 616 Cb -0.10 -0.63 0.12 0.00 -1.15 0.00 0.00 33.47 31.71 1mws s TRP 616 CO 0.06 0.03 0.63 0.12 0.02 0.00 0.00 176.95 177.81 1mws s PHE 617 N -1.28 -1.27 -0.07 -1.98 5.36 -0.51 -1.13 117.98 117.10 1mws s PHE 617 Ca -0.03 2.24 0.05 0.00 -0.96 0.00 0.00 56.93 58.23 1mws s PHE 617 Cb -0.10 0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 43.31 1mws s PHE 617 CO 0.02 -0.64 -0.21 0.42 -1.46 0.00 0.00 175.22 173.35 1mws s ILE 618 N 2.73 2.41 0.21 3.12 1.01 -0.57 -0.93 121.20 129.19 1mws s ILE 618 Ca -0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 1mws s ILE 618 Cb -0.11 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.47 1mws s ILE 618 CO -0.19 0.57 0.57 -0.94 0.00 0.00 0.00 174.94 174.95 1mws s SER 619 N -0.19 -0.29 0.15 3.58 1.04 -0.38 -1.34 113.70 116.28 1mws s SER 619 Ca -0.02 -0.48 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 1mws s SER 619 Cb -0.14 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.66 1mws s SER 619 CO 0.03 -1.11 0.71 -0.72 0.98 0.00 0.00 173.24 173.14 1mws s TYR 620 N -3.88 -0.40 -0.48 5.02 1.13 -0.93 -1.14 117.35 116.67 1mws s TYR 620 Ca 0.09 0.15 -0.22 0.00 -1.41 0.00 0.00 57.07 55.69 1mws s TYR 620 Cb -0.02 0.59 0.04 0.00 -1.10 0.00 0.00 41.96 41.47 1mws s TYR 620 CO -0.01 -0.86 0.74 0.34 -2.51 0.00 0.00 175.55 173.25 1mws s ASP 621 N -2.74 6.32 0.53 -0.18 3.68 -1.26 -1.29 116.67 121.72 1mws s ASP 621 Ca 0.05 -0.43 0.20 0.00 2.13 0.00 0.00 52.55 54.50 1mws s ASP 621 Cb -0.02 -2.36 1.33 0.00 -1.45 0.00 0.00 42.92 40.43 1mws s ASP 621 CO -0.07 -0.95 2.09 0.50 0.13 0.00 0.00 175.17 176.87 1mws h LYS 622 N 9.04 0.00 0.00 4.34 1.63 -1.35 0.81 116.57 131.04 1mws h LYS 622 Ca -0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1mws h LYS 622 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1mws h LYS 622 CO 0.97 0.00 -0.22 -0.44 -3.45 0.00 0.00 179.45 176.31 1mws h ASP 623 N 0.00 0.00 -1.16 4.20 3.32 -1.92 -3.37 116.42 117.49 1mws h ASP 623 Ca 0.11 -0.07 -0.40 0.00 0.02 0.00 0.00 57.03 56.68 1mws h ASP 623 Cb 0.43 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.69 1mws h ASP 623 CO -0.00 0.03 -0.86 -3.20 -1.72 0.00 0.00 179.24 173.49 1mws n ASN 624 N -2.27 -0.91 -2.17 6.45 5.15 -0.23 -5.05 115.26 116.24 1mws n ASN 624 Ca 0.05 -3.08 -0.05 0.00 -0.60 0.00 0.00 54.58 50.90 1mws n ASN 624 Cb 0.44 0.42 -0.07 0.00 -0.53 0.00 0.00 39.78 40.05 1mws n ASN 624 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mws n PRO 625 N 1.09 0.88 0.00 1.20 -0.04 0.11 -4.36 135.00 133.87 1mws n PRO 625 Ca 0.16 -0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1mws n PRO 625 Cb 0.61 -1.65 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 1mws n PRO 625 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1mws n ASN 626 N 2.58 0.77 -3.68 3.54 0.23 -1.26 -4.65 115.26 112.78 1mws n ASN 626 Ca 0.17 -0.57 -0.15 0.00 -0.53 0.00 0.00 54.58 53.51 1mws n ASN 626 Cb 0.41 0.34 -0.14 0.00 -2.08 0.00 0.00 39.78 38.31 1mws n ASN 626 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1mws s MET 627 N -2.86 0.11 -0.14 -3.83 0.00 -1.26 -4.24 119.30 107.08 1mws s MET 627 Ca 0.14 0.62 -0.04 0.00 0.00 0.00 0.00 55.69 56.41 1mws s MET 627 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 34.83 34.83 1mws s MET 627 CO 0.68 -0.27 0.01 -1.64 0.00 0.00 0.00 175.02 173.80 1mws s MET 628 N 2.11 3.53 -0.01 4.11 -1.94 -0.44 -4.36 119.30 122.30 1mws s MET 628 Ca -0.00 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.59 1mws s MET 628 Cb -0.12 -2.96 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 1mws s MET 628 CO -0.07 0.41 -0.15 1.41 -0.01 0.00 0.00 175.02 176.61 1mws s MET 629 N -0.07 1.21 -0.13 2.03 0.00 -0.29 -1.01 119.30 121.05 1mws s MET 629 Ca 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 55.69 55.23 1mws s MET 629 Cb -0.13 -1.16 0.01 0.00 0.00 0.00 0.00 34.83 33.56 1mws s MET 629 CO 0.02 0.30 -0.18 0.00 0.00 0.00 0.00 175.02 175.16 1mws s ALA 630 N -0.30 1.98 -0.15 4.11 0.00 0.58 -1.24 121.76 126.72 1mws s ALA 630 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1mws s ALA 630 Cb -0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 1mws s ALA 630 CO -0.00 -0.09 -0.16 0.42 0.00 0.00 0.00 175.76 175.93 1mws s ILE 631 N 0.96 2.62 -0.07 0.00 -1.09 -0.10 -1.50 121.20 122.03 1mws s ILE 631 Ca -0.05 -0.78 0.02 0.00 -2.23 0.00 0.00 60.65 57.61 1mws s ILE 631 Cb -0.15 -2.10 0.01 0.00 -1.58 0.00 0.00 42.46 38.64 1mws s ILE 631 CO -0.03 0.52 -0.14 0.21 -1.23 0.00 0.00 174.94 174.27 1mws s ASN 632 N 0.83 1.95 -0.02 3.58 3.04 -0.78 -1.43 114.94 122.12 1mws s ASN 632 Ca -0.05 -0.33 -0.00 0.00 0.04 0.00 0.00 52.86 52.51 1mws s ASN 632 Cb -0.15 -0.90 0.02 0.00 -1.54 0.00 0.00 41.25 38.67 1mws s ASN 632 CO -0.00 0.05 0.03 -0.69 -3.04 0.00 0.00 177.10 173.44 1mws s VAL 633 N 0.62 -0.03 0.09 -5.21 1.01 0.07 -1.93 120.40 115.02 1mws s VAL 633 Ca -0.15 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1mws s VAL 633 Cb -0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 1mws s VAL 633 CO 0.04 0.05 0.45 -0.75 0.00 0.00 0.00 175.10 174.89 1mws s LYS 634 N 0.60 3.85 -0.61 2.72 2.20 -0.41 0.30 119.74 128.39 1mws s LYS 634 Ca -0.05 0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.84 1mws s LYS 634 Cb -0.07 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1mws s LYS 634 CO -0.02 0.56 0.55 -0.25 -0.36 0.00 0.00 175.35 175.83 1mws n ASP 635 N 1.01 -5.45 -0.63 1.43 8.00 0.57 -4.57 116.55 116.92 1mws n ASP 635 Ca -0.08 -0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.20 1mws n ASP 635 Cb 0.52 -3.76 0.10 0.00 -0.02 0.00 0.00 41.12 37.96 1mws n ASP 635 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1mws n VAL 636 N -2.16 0.31 -0.08 2.53 0.24 -0.86 -4.68 118.33 113.63 1mws n VAL 636 Ca -0.03 -0.65 0.19 0.00 -2.04 0.00 0.00 64.34 61.81 1mws n VAL 636 Cb 0.55 1.05 0.62 0.00 -1.47 0.00 0.00 33.84 34.58 1mws n VAL 636 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1mws h GLN 637 N 2.66 0.16 -0.05 7.34 -0.00 -1.91 0.45 115.11 123.75 1mws h GLN 637 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1mws h GLN 637 Cb 0.64 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.09 1mws h GLN 637 CO 0.00 0.11 0.00 -0.25 -0.00 0.00 0.00 178.83 178.69 1mws n ASP 638 N -4.41 2.88 -0.93 0.06 8.00 -1.26 -4.35 116.55 116.55 1mws n ASP 638 Ca 0.12 -1.95 0.05 0.00 0.71 0.00 0.00 54.79 53.72 1mws n ASP 638 Cb 0.60 -0.02 0.23 0.00 -0.02 0.00 0.00 41.12 41.92 1mws n ASP 638 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mws n LYS 639 N 1.25 2.48 -1.01 -1.24 5.02 0.07 -4.96 118.16 119.77 1mws n LYS 639 Ca 0.15 -2.92 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 1mws n LYS 639 Cb 0.58 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1mws n LYS 639 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mws n GLY 640 N -0.77 0.54 7.00 0.72 0.00 -1.18 -3.62 105.19 107.89 1mws n GLY 640 Ca 0.25 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1mws n GLY 640 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mws n MET 641 N -2.37 0.00 0.31 1.61 0.00 -0.72 -1.11 117.12 114.85 1mws n MET 641 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 57.70 57.91 1mws n MET 641 Cb 0.10 0.00 1.06 0.00 0.00 0.00 0.00 33.22 34.37 1mws n MET 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mws h ALA 642 N -0.69 1.00 -0.38 3.04 0.00 -1.89 -2.06 119.26 118.28 1mws h ALA 642 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1mws h ALA 642 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1mws h ALA 642 CO 0.00 0.00 0.26 0.77 0.00 0.00 0.00 179.25 180.28 1mws h SER 643 N 0.00 0.27 -0.06 0.00 0.02 -1.40 0.03 113.55 112.40 1mws h SER 643 Ca 0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mws h SER 643 Cb 0.12 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1mws h SER 643 CO 0.00 0.18 0.03 0.22 -1.14 0.00 0.00 176.83 176.12 1mws h TYR 644 N 0.31 0.09 -0.93 3.45 3.20 -1.43 0.25 116.97 121.91 1mws h TYR 644 Ca 0.16 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1mws h TYR 644 Cb 0.26 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1mws h TYR 644 CO -0.00 0.20 0.56 -0.91 -1.64 0.00 0.00 178.16 176.37 1mws h ASN 645 N -0.04 1.12 -0.58 -2.11 2.35 -1.45 -0.58 115.58 114.29 1mws h ASN 645 Ca 0.02 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1mws h ASN 645 Cb 0.15 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1mws h ASN 645 CO -0.00 0.86 0.29 0.00 -1.65 0.00 0.00 177.43 176.93 1mws h ALA 646 N 1.33 0.75 -0.58 -0.83 0.00 -0.60 -1.92 119.26 117.40 1mws h ALA 646 Ca 0.33 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1mws h ALA 646 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1mws h ALA 646 CO -0.06 0.30 0.03 0.87 0.00 0.00 0.00 179.25 180.39 1mws h LYS 647 N 0.79 0.98 -0.77 0.00 1.57 0.17 -1.44 116.57 117.87 1mws h LYS 647 Ca 0.20 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1mws h LYS 647 Cb 0.10 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1mws h LYS 647 CO -0.03 0.95 0.49 0.82 -0.57 0.00 0.00 179.45 181.11 1mws h ILE 648 N 0.91 1.21 -0.58 1.86 2.04 -0.91 -1.85 117.51 120.19 1mws h ILE 648 Ca 0.17 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1mws h ILE 648 Cb 0.49 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1mws h ILE 648 CO 0.02 0.21 0.27 0.28 0.00 0.00 0.00 178.15 178.93 1mws h SER 649 N 1.05 0.76 -0.82 1.72 0.02 -0.92 -2.00 113.55 113.36 1mws h SER 649 Ca 0.28 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1mws h SER 649 Cb -0.08 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.21 1mws h SER 649 CO -0.06 0.69 0.52 1.23 -1.14 0.00 0.00 176.83 178.07 1mws h GLY 650 N 0.78 1.20 1.38 -3.77 0.00 -0.67 -1.52 103.07 100.47 1mws h GLY 650 Ca 0.20 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1mws h GLY 650 CO -0.02 0.31 -0.06 0.50 0.00 0.00 0.00 176.54 177.27 1mws h LYS 651 N 0.99 0.75 -0.30 4.80 1.57 -1.00 -1.05 116.57 122.32 1mws h LYS 651 Ca 0.34 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1mws h LYS 651 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1mws h LYS 651 CO -0.13 0.80 -0.02 0.28 -0.57 0.00 0.00 179.45 179.81 1mws h VAL 652 N 0.69 1.27 -0.87 0.50 2.07 -0.64 -1.62 116.25 117.65 1mws h VAL 652 Ca 0.13 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1mws h VAL 652 Cb 0.51 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1mws h VAL 652 CO 0.03 0.32 0.57 1.88 0.02 0.00 0.00 177.57 180.39 1mws h TYR 653 N 0.33 1.10 -0.94 1.57 -1.99 -1.07 -0.46 116.97 115.51 1mws h TYR 653 Ca 0.08 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.89 1mws h TYR 653 Cb 0.47 -0.37 -0.06 0.00 2.00 0.00 0.00 36.73 38.77 1mws h TYR 653 CO 0.04 0.70 0.62 -0.44 -0.00 0.00 0.00 178.16 179.08 1mws h ASP 654 N 1.19 0.99 -0.23 3.88 3.32 -0.90 0.34 116.42 125.01 1mws h ASP 654 Ca 0.32 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1mws h ASP 654 Cb -0.13 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1mws h ASP 654 CO -0.07 0.66 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.61 1mws h GLU 655 N 1.14 0.52 0.00 3.56 5.08 -0.38 0.23 114.58 124.73 1mws h GLU 655 Ca 0.39 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1mws h GLU 655 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1mws h GLU 655 CO -0.14 0.83 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.23 1mws h LEU 656 N 0.22 0.00 -2.86 1.33 3.38 -0.54 -3.04 115.31 113.79 1mws h LEU 656 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mws h LEU 656 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1mws h LEU 656 CO 0.05 0.40 0.00 -1.22 0.09 0.00 0.00 178.44 177.76 1mws n TYR 657 N -3.40 0.86 -4.08 1.13 4.02 0.12 -3.50 117.16 112.31 1mws n TYR 657 Ca 0.01 -0.53 -0.37 0.00 -0.01 0.00 0.00 57.90 57.00 1mws n TYR 657 Cb 0.58 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.83 1mws n TYR 657 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1mws n GLU 658 N 1.12 -1.00 -2.01 -0.72 1.02 -0.31 0.17 120.64 118.91 1mws n GLU 658 Ca 0.20 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.37 1mws n GLU 658 Cb 0.59 -3.32 -0.03 0.00 -0.02 0.00 0.00 31.44 28.66 1mws n GLU 658 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mws n ASN 659 N -2.55 -4.08 0.00 1.62 4.13 0.65 -1.50 115.26 113.53 1mws n ASN 659 Ca -0.20 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1mws n ASN 659 Cb 0.62 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 1mws n ASN 659 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mws n GLY 660 N -0.61 1.31 0.18 7.41 0.00 0.13 -4.96 105.19 108.65 1mws n GLY 660 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1mws n GLY 660 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1mws h ASN 661 N 0.00 0.00 -5.38 1.61 4.21 -0.52 -3.46 115.58 112.04 1mws h ASN 661 Ca 0.00 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.31 1mws h ASN 661 Cb 0.00 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.14 1mws h ASN 661 CO 0.00 0.00 -0.09 -1.59 -1.29 0.00 0.00 177.43 174.46 1mws s LYS 662 N -3.42 1.94 -0.19 0.81 -2.85 -1.02 -5.02 119.74 110.00 1mws s LYS 662 Ca 0.03 -1.63 0.01 0.00 -1.00 0.00 0.00 55.97 53.38 1mws s LYS 662 Cb 0.09 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.37 1mws s LYS 662 CO 0.45 -0.83 -0.18 0.15 0.10 0.00 0.00 175.35 175.04 1mws s LYS 663 N -3.01 2.80 0.07 1.78 3.01 -1.26 -4.60 119.74 118.53 1mws s LYS 663 Ca 0.26 -0.86 -0.37 0.00 -1.01 0.00 0.00 55.97 54.00 1mws s LYS 663 Cb -0.01 -2.55 -0.18 0.00 -1.01 0.00 0.00 37.83 34.08 1mws s LYS 663 CO 0.17 -0.26 1.17 0.98 0.51 0.00 0.00 175.35 177.92 1mws n TYR 664 N 4.62 1.05 -3.94 3.18 4.19 -1.23 -4.96 117.16 120.07 1mws n TYR 664 Ca -0.20 0.82 -0.28 0.00 3.31 0.00 0.00 57.90 61.55 1mws n TYR 664 Cb 0.49 -2.21 -0.17 0.00 0.49 0.00 0.00 39.34 37.94 1mws n TYR 664 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1mws s ASP 665 N 0.16 2.64 0.54 2.98 -1.08 -1.26 -5.00 116.67 115.65 1mws s ASP 665 Ca 0.84 -0.52 0.22 0.00 -0.52 0.00 0.00 52.55 52.57 1mws s ASP 665 Cb -1.06 -0.99 1.42 0.00 -1.46 0.00 0.00 42.92 40.83 1mws s ASP 665 CO 0.52 -0.13 2.11 0.16 0.52 0.00 0.00 175.17 178.36 1mws h ILE 666 N 6.23 0.80 -0.89 4.11 3.07 -1.93 -2.15 117.51 126.75 1mws h ILE 666 Ca -0.30 0.00 -0.39 0.00 1.55 0.00 0.00 64.86 65.72 1mws h ILE 666 Cb 1.12 0.91 -0.23 0.00 -0.27 0.00 0.00 36.82 38.35 1mws h ILE 666 CO 0.44 0.00 0.50 0.47 -1.05 0.00 0.00 178.15 178.51 1mws n ASP 667 N -4.31 4.25 -0.95 2.16 10.43 -1.26 -4.85 116.55 122.02 1mws n ASP 667 Ca 0.01 -3.44 0.12 0.00 2.57 0.00 0.00 54.79 54.05 1mws n ASP 667 Cb 0.26 -0.80 0.10 0.00 1.84 0.00 0.00 41.12 42.51 1mws n ASP 667 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34