#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ock s ILE 2 N 0.00 4.75 -0.23 2.02 1.01 -1.26 -4.99 121.20 122.50 1ock s ILE 2 Ca 0.00 2.01 -0.20 0.00 0.00 0.00 0.00 60.65 62.45 1ock s ILE 2 Cb 0.00 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1ock s ILE 2 CO 0.00 0.04 0.61 -0.55 0.00 0.00 0.00 174.94 175.04 1ock s SER 3 N 1.11 6.60 0.18 3.58 0.15 -1.26 -4.28 113.70 119.78 1ock s SER 3 Ca 0.50 0.73 -0.10 0.00 0.70 0.00 0.00 55.95 57.79 1ock s SER 3 Cb -0.19 -2.33 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1ock s SER 3 CO 0.20 -0.32 1.66 0.25 1.20 0.00 0.00 173.24 176.24 1ock h LEU 4 N 8.59 1.01 -0.41 3.45 5.85 -1.93 -2.16 115.31 129.72 1ock h LEU 4 Ca -0.29 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1ock h LEU 4 Cb 1.13 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1ock h LEU 4 CO 0.77 1.03 0.26 0.00 -0.34 0.00 0.00 178.44 180.16 1ock h ALA 5 N 1.02 0.51 -0.21 1.25 0.00 -1.90 -1.01 119.26 118.93 1ock h ALA 5 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ock h ALA 5 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ock h ALA 5 CO 0.02 -0.05 0.13 0.22 0.00 0.00 0.00 179.25 179.57 1ock h ASP 6 N 0.53 0.25 -0.27 0.00 3.58 -1.93 -1.37 116.42 117.21 1ock h ASP 6 Ca 0.15 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1ock h ASP 6 Cb -0.05 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1ock h ASP 6 CO -0.04 0.21 0.18 -0.07 -2.88 0.00 0.00 179.24 176.64 1ock h LEU 7 N 0.27 0.31 -0.51 2.28 3.38 -1.20 -1.28 115.31 118.56 1ock h LEU 7 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ock h LEU 7 Cb 0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1ock h LEU 7 CO -0.02 0.22 0.24 1.56 0.09 0.00 0.00 178.44 180.54 1ock h GLN 8 N 0.37 0.45 -0.14 1.13 4.20 -1.00 0.94 115.11 121.06 1ock h GLN 8 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1ock h GLN 8 Cb -0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1ock h GLN 8 CO -0.02 0.30 0.07 0.00 -0.67 0.00 0.00 178.83 178.50 1ock h ARG 9 N 0.46 0.20 0.00 1.46 3.08 -0.97 0.04 114.38 118.66 1ock h ARG 9 Ca 0.23 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 1ock h ARG 9 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ock h ARG 9 CO -0.18 0.26 -0.29 0.00 -1.07 0.00 0.00 179.97 178.69 1ock h ARG 10 N 0.10 0.00 0.09 0.04 3.08 -1.01 -2.49 114.38 114.19 1ock h ARG 10 Ca 0.05 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 1ock h ARG 10 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.20 1ock h ARG 10 CO -0.01 0.29 -1.18 0.82 -1.07 0.00 0.00 179.97 178.82 1ock h ILE 11 N 0.00 1.33 -0.38 2.04 2.04 -0.58 -0.15 117.51 121.81 1ock h ILE 11 Ca -0.00 -2.51 -0.07 0.00 1.00 0.00 0.00 64.86 63.28 1ock h ILE 11 Cb 0.70 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 1ock h ILE 11 CO 0.04 0.76 -0.06 -0.08 0.00 0.00 0.00 178.15 178.80 1ock h GLU 12 N 0.26 0.64 0.00 2.37 4.57 -0.75 -2.52 114.58 119.15 1ock h GLU 12 Ca -0.16 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1ock h GLU 12 Cb 1.85 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 1ock h GLU 12 CO 0.22 0.70 -0.03 0.25 -1.18 0.00 0.00 179.01 178.97 1ock n THR 13 N -4.21 0.51 -0.14 0.32 -2.24 -0.96 -4.91 114.28 102.65 1ock n THR 13 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1ock n THR 13 Cb 0.31 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1ock n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ock n GLY 14 N 1.33 0.63 0.24 3.38 0.00 -0.95 -4.96 105.19 104.86 1ock n GLY 14 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1ock n GLY 14 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ock h GLU 15 N 4.53 0.49 -4.58 1.61 4.81 -1.32 -3.42 114.58 116.69 1ock h GLU 15 Ca 0.00 -0.18 -0.54 0.00 -0.13 0.00 0.00 59.36 58.51 1ock h GLU 15 Cb 0.00 -0.03 -0.34 0.00 0.63 0.00 0.00 28.75 29.01 1ock h GLU 15 CO 0.00 0.70 -0.82 -1.17 -0.73 0.00 0.00 179.01 176.99 1ock s LEU 16 N -8.68 1.62 0.43 1.64 2.96 -0.42 -4.99 118.68 111.24 1ock s LEU 16 Ca -0.07 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.33 1ock s LEU 16 Cb 0.14 -0.91 -0.09 0.00 0.50 0.00 0.00 46.19 45.82 1ock s LEU 16 CO 0.79 0.02 0.89 -0.94 -1.32 0.00 0.00 176.35 175.79 1ock s SER 17 N 0.85 6.77 0.22 3.68 1.04 -1.26 -4.12 113.70 120.87 1ock s SER 17 Ca -0.11 1.51 -0.08 0.00 0.48 0.00 0.00 55.95 57.75 1ock s SER 17 Cb -0.15 -2.47 0.30 0.00 0.10 0.00 0.00 66.02 63.79 1ock s SER 17 CO 0.01 -0.39 1.77 -0.65 0.98 0.00 0.00 173.24 174.96 1ock h PRO 18 N 1.64 0.52 -0.89 4.02 0.11 -1.89 -1.29 132.00 134.22 1ock h PRO 18 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1ock h PRO 18 Cb 1.18 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1ock h PRO 18 CO 0.62 0.34 0.59 -0.91 -0.21 0.00 0.00 178.00 178.44 1ock h ASN 19 N 0.54 1.01 -0.58 -2.05 2.35 -1.91 -1.46 115.58 113.47 1ock h ASN 19 Ca 0.33 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.95 1ock h ASN 19 Cb 0.35 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1ock h ASN 19 CO -0.27 0.72 -0.05 0.00 -1.65 0.00 0.00 177.43 176.18 1ock h ALA 20 N 1.34 0.80 -0.55 -0.83 0.00 -1.76 -0.52 119.26 117.74 1ock h ALA 20 Ca 0.33 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ock h ALA 20 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1ock h ALA 20 CO -0.08 0.68 0.28 0.00 0.00 0.00 0.00 179.25 180.13 1ock h ALA 21 N 0.97 0.71 -0.50 0.00 0.00 -0.76 -0.23 119.26 119.45 1ock h ALA 21 Ca 0.16 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ock h ALA 21 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ock h ALA 21 CO 0.04 0.25 -0.17 0.82 0.00 0.00 0.00 179.25 180.19 1ock h ILE 22 N 0.74 1.27 -0.74 0.00 1.08 -1.13 -2.41 117.51 116.32 1ock h ILE 22 Ca 0.19 -1.33 0.01 0.00 -0.39 0.00 0.00 64.86 63.34 1ock h ILE 22 Cb 0.08 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1ock h ILE 22 CO -0.03 0.46 0.49 0.00 -0.69 0.00 0.00 178.15 178.39 1ock h ALA 23 N 0.89 1.47 -0.25 1.87 0.00 -0.78 -1.57 119.26 120.88 1ock h ALA 23 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ock h ALA 23 Cb 0.74 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1ock h ALA 23 CO 0.06 0.49 0.03 0.37 0.00 0.00 0.00 179.25 180.20 1ock h GLN 24 N 1.01 0.12 -0.35 0.00 5.75 -0.57 -1.80 115.11 119.26 1ock h GLN 24 Ca 0.27 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1ock h GLN 24 Cb -0.12 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1ock h GLN 24 CO -0.06 0.08 0.14 0.77 -2.65 0.00 0.00 178.83 177.11 1ock h SER 25 N 0.12 0.49 -0.80 -0.69 0.02 -0.97 -0.72 113.55 111.01 1ock h SER 25 Ca 0.12 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1ock h SER 25 Cb 0.13 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1ock h SER 25 CO -0.17 0.53 0.44 0.45 -1.14 0.00 0.00 176.83 176.94 1ock h HIS 26 N 0.42 0.80 -0.57 3.45 3.86 -1.06 0.11 115.15 122.16 1ock h HIS 26 Ca 0.12 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1ock h HIS 26 Cb 0.19 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1ock h HIS 26 CO -0.00 0.32 0.03 0.00 0.86 0.00 0.00 177.93 179.14 1ock h ALA 27 N 1.45 0.76 -0.44 2.45 0.00 -1.02 -1.47 119.26 120.99 1ock h ALA 27 Ca 0.38 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ock h ALA 27 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ock h ALA 27 CO -0.25 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 1ock h ALA 28 N 0.98 1.09 -0.27 0.00 0.00 -0.18 -0.79 119.26 120.09 1ock h ALA 28 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ock h ALA 28 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ock h ALA 28 CO 0.02 0.57 -0.09 0.82 0.00 0.00 0.00 179.25 180.57 1ock h ILE 29 N 0.69 1.29 -0.23 0.00 2.04 -0.87 -2.94 117.51 117.49 1ock h ILE 29 Ca 0.13 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ock h ILE 29 Cb 0.50 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1ock h ILE 29 CO 0.03 0.36 0.09 -0.08 0.00 0.00 0.00 178.15 178.55 1ock h GLU 30 N 0.28 0.32 -0.14 2.37 4.57 -0.98 0.53 114.58 121.52 1ock h GLU 30 Ca 0.06 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.08 1ock h GLU 30 Cb 0.59 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1ock h GLU 30 CO 0.03 0.27 -0.48 0.00 -1.18 0.00 0.00 179.01 177.65 1ock h ALA 31 N 1.79 0.91 0.00 2.92 0.00 -0.97 -3.38 119.26 120.52 1ock h ALA 31 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ock h ALA 31 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ock h ALA 31 CO -0.01 0.66 0.00 0.54 0.00 0.00 0.00 179.25 180.44 1ock n ARG 32 N -3.97 4.86 0.02 0.00 5.12 -1.13 -4.79 116.66 116.77 1ock n ARG 32 Ca -0.02 -0.06 0.06 0.00 -1.93 0.00 0.00 57.85 55.91 1ock n ARG 32 Cb 0.55 -0.48 0.47 0.00 -1.16 0.00 0.00 32.46 31.84 1ock n ARG 32 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1ock h GLU 33 N 0.00 0.43 0.00 5.56 4.57 -1.07 -0.33 114.58 123.74 1ock h GLU 33 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ock h GLU 33 Cb 0.01 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1ock h GLU 33 CO 0.00 0.28 0.00 1.63 -1.18 0.00 0.00 179.01 179.74 1ock n LYS 34 N -4.48 0.04 -0.02 1.92 5.02 -1.26 -0.55 118.16 118.82 1ock n LYS 34 Ca 0.04 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1ock n LYS 34 Cb 0.13 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 1ock n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ock n GLU 35 N -1.47 1.34 -0.11 1.97 0.28 -0.33 -4.76 120.64 117.56 1ock n GLU 35 Ca 0.05 -0.05 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 1ock n GLU 35 Cb 0.21 -1.24 -0.12 0.00 1.43 0.00 0.00 31.44 31.72 1ock n GLU 35 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ock n VAL 36 N -2.09 1.32 -3.42 3.84 0.31 -0.28 -4.75 118.33 113.25 1ock n VAL 36 Ca -0.08 -0.62 -0.18 0.00 -0.01 0.00 0.00 64.34 63.45 1ock n VAL 36 Cb 0.52 -1.03 0.09 0.00 -0.91 0.00 0.00 33.84 32.51 1ock n VAL 36 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ock n HIS 37 N -3.00 -2.25 0.16 3.52 8.25 0.29 -1.03 115.22 121.17 1ock n HIS 37 Ca -0.37 0.93 0.11 0.00 -0.26 0.00 0.00 57.72 58.12 1ock n HIS 37 Cb 1.00 -5.00 0.09 0.00 1.12 0.00 0.00 29.99 27.20 1ock n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ock h ALA 38 N 0.90 0.77 -3.17 -1.41 0.00 -1.89 -3.35 119.26 111.12 1ock h ALA 38 Ca -0.57 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.61 1ock h ALA 38 Cb 1.34 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1ock h ALA 38 CO 0.50 0.06 -0.59 -0.06 0.00 0.00 0.00 179.25 179.16 1ock s PHE 39 N -3.25 3.26 -0.00 0.00 0.40 -1.26 -1.19 117.98 115.93 1ock s PHE 39 Ca 0.04 0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.59 1ock s PHE 39 Cb 0.07 -1.82 -0.28 0.00 0.51 0.00 0.00 43.02 41.50 1ock s PHE 39 CO 0.73 0.53 0.84 0.28 0.70 0.00 0.00 175.22 178.29 1ock h VAL 40 N 4.09 1.13 -2.57 -0.44 2.07 -0.71 -3.45 116.25 116.37 1ock h VAL 40 Ca -0.52 -2.76 -0.11 0.00 0.82 0.00 0.00 66.70 64.14 1ock h VAL 40 Cb 1.20 2.76 -0.28 0.00 -1.52 0.00 0.00 31.29 33.45 1ock h VAL 40 CO 0.55 0.82 -0.38 -0.13 0.02 0.00 0.00 177.57 178.46 1ock s ARG 41 N -2.61 0.31 -0.30 1.57 0.52 -1.06 -4.99 118.95 112.39 1ock s ARG 41 Ca -0.10 0.97 -0.08 0.00 -0.52 0.00 0.00 55.73 56.00 1ock s ARG 41 Cb 0.07 0.24 -0.00 0.00 0.52 0.00 0.00 34.95 35.78 1ock s ARG 41 CO 0.85 -0.24 0.11 -1.58 0.02 0.00 0.00 175.30 174.47 1ock s HIS 42 N 2.42 3.15 -0.93 -0.53 5.65 -1.26 -0.80 115.29 123.00 1ock s HIS 42 Ca -0.03 -0.73 -0.22 0.00 0.25 0.00 0.00 55.06 54.34 1ock s HIS 42 Cb -0.11 -2.30 0.08 0.00 -1.18 0.00 0.00 32.58 29.06 1ock s HIS 42 CO -0.12 -0.50 1.27 0.34 -0.65 0.00 0.00 174.74 175.08 1ock s ASP 43 N 1.57 6.49 0.61 9.88 2.15 -0.30 -4.85 116.67 132.22 1ock s ASP 43 Ca 0.04 -1.54 0.34 0.00 0.43 0.00 0.00 52.55 51.81 1ock s ASP 43 Cb -0.17 -2.49 1.98 0.00 -0.30 0.00 0.00 42.92 41.94 1ock s ASP 43 CO 0.04 -1.37 2.27 0.11 -0.17 0.00 0.00 175.17 176.06 1ock h LYS 44 N 9.44 0.00 -0.00 4.34 1.57 -1.96 -1.61 116.57 128.34 1ock h LYS 44 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ock h LYS 44 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1ock h LYS 44 CO 1.27 0.00 -0.22 -1.13 -0.57 0.00 0.00 179.45 178.80 1ock n SER 45 N -3.63 0.71 -4.63 0.86 3.41 -1.26 -4.93 113.62 104.16 1ock n SER 45 Ca -0.03 -0.63 -0.49 0.00 -0.26 0.00 0.00 58.87 57.46 1ock n SER 45 Cb 0.10 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1ock n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ock n ALA 46 N -0.91 0.20 -2.56 7.33 0.00 -0.61 -4.97 120.51 118.99 1ock n ALA 46 Ca 0.12 0.48 -0.24 0.00 0.00 0.00 0.00 53.44 53.80 1ock n ALA 46 Cb 0.32 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 1ock n ALA 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ock s ARG 47 N 0.63 2.10 0.48 0.00 0.52 -1.26 -4.98 118.95 116.45 1ock s ARG 47 Ca 0.81 -1.63 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 1ock s ARG 47 Cb -0.81 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 32.58 1ock s ARG 47 CO 0.43 0.24 0.99 0.00 0.02 0.00 0.00 175.30 176.98 1ock s ALA 48 N -2.45 2.98 0.36 2.13 0.00 -1.26 -4.72 121.76 118.79 1ock s ALA 48 Ca 0.33 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.68 1ock s ALA 48 Cb -0.03 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1ock s ALA 48 CO 0.19 -0.18 0.57 -0.65 0.00 0.00 0.00 175.76 175.69 1ock s GLN 49 N -3.54 3.41 0.00 0.00 -0.21 -1.26 -4.93 119.66 113.14 1ock s GLN 49 Ca 0.62 -0.37 0.25 0.00 0.02 0.00 0.00 55.36 55.88 1ock s GLN 49 Cb -0.12 -2.65 0.43 0.00 1.00 0.00 0.00 33.01 31.67 1ock s GLN 49 CO 0.22 0.08 1.36 0.00 -2.12 0.00 0.00 175.29 174.83 1ock n ALA 50 N -1.83 3.62 -2.54 6.09 0.00 -1.26 -4.23 120.51 120.36 1ock n ALA 50 Ca -0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1ock n ALA 50 Cb 0.56 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1ock n ALA 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ock s SER 51 N -2.85 0.14 0.00 0.00 1.04 -1.26 -5.05 113.70 105.72 1ock s SER 51 Ca 0.14 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1ock s SER 51 Cb 0.18 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ock s SER 51 CO 0.67 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1ock n GLY 52 N -0.09 2.67 0.32 7.32 0.00 -1.26 -4.07 105.19 110.08 1ock n GLY 52 Ca -0.12 -1.81 0.21 0.00 0.00 0.00 0.00 46.02 44.30 1ock n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ock h PRO 53 N 0.00 0.00 -0.47 1.61 0.13 -1.85 -2.08 132.00 129.34 1ock h PRO 53 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ock h PRO 53 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ock h PRO 53 CO 0.00 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 1ock n LEU 54 N -3.19 4.57 -4.74 1.56 4.77 -0.16 -4.92 117.00 114.89 1ock n LEU 54 Ca -0.02 -2.73 -0.42 0.00 -0.03 0.00 0.00 56.01 52.81 1ock n LEU 54 Cb 0.12 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1ock n LEU 54 CO 0.23 0.71 1.18 0.00 -1.33 0.00 0.00 177.39 178.17 1ock s ARG 55 N -2.35 4.21 0.00 3.23 1.70 -0.78 -1.53 118.95 123.43 1ock s ARG 55 Ca 0.46 2.40 0.00 0.00 -0.47 0.00 0.00 55.73 58.12 1ock s ARG 55 Cb 0.34 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 1ock s ARG 55 CO 0.16 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.26 1ock n GLY 56 N 2.64 0.68 3.44 3.88 0.00 -1.26 -4.85 105.19 109.72 1ock n GLY 56 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1ock n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ock s ILE 57 N -2.53 4.71 0.08 -0.61 -1.09 -0.58 -3.98 121.20 117.20 1ock s ILE 57 Ca 0.00 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.68 1ock s ILE 57 Cb 0.00 -3.46 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 1ock s ILE 57 CO 0.00 -0.01 0.78 0.00 -1.23 0.00 0.00 174.94 174.48 1ock s ALA 58 N 1.62 3.38 -0.04 9.38 0.00 -1.26 -1.16 121.76 133.68 1ock s ALA 58 Ca 0.04 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1ock s ALA 58 Cb -0.18 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1ock s ALA 58 CO 0.07 0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.90 1ock s VAL 59 N -0.31 1.06 -0.04 0.00 1.01 0.18 -3.59 120.40 118.71 1ock s VAL 59 Ca 0.38 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1ock s VAL 59 Cb -0.21 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1ock s VAL 59 CO 0.24 0.32 0.31 -0.83 0.00 0.00 0.00 175.10 175.15 1ock s GLY 60 N 0.32 2.36 -0.17 4.51 0.00 -0.72 -1.67 107.32 111.95 1ock s GLY 60 Ca -0.07 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.29 1ock s GLY 60 CO 0.02 -0.06 -0.20 -0.42 0.00 0.00 0.00 173.10 172.44 1ock s ILE 61 N -1.08 2.04 0.20 0.90 -1.09 -0.37 -1.40 121.20 120.39 1ock s ILE 61 Ca 0.21 -0.93 -0.33 0.00 -2.23 0.00 0.00 60.65 57.37 1ock s ILE 61 Cb -0.15 -1.83 -0.14 0.00 -1.58 0.00 0.00 42.46 38.75 1ock s ILE 61 CO 0.10 0.54 1.36 1.17 -1.23 0.00 0.00 174.94 176.88 1ock n LYS 62 N 4.53 1.74 0.00 2.79 4.81 -0.94 -0.26 118.16 130.83 1ock n LYS 62 Ca -0.21 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1ock n LYS 62 Cb 0.50 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1ock n LYS 62 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ock n ASP 63 N 2.34 1.40 -0.23 3.14 2.03 -0.03 -1.48 116.55 123.71 1ock n ASP 63 Ca 0.14 -1.16 0.03 0.00 0.52 0.00 0.00 54.79 54.32 1ock n ASP 63 Cb 0.28 -0.29 0.04 0.00 -0.72 0.00 0.00 41.12 40.43 1ock n ASP 63 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1ock n ILE 64 N 0.57 0.33 -3.74 5.18 -5.35 -1.26 -1.22 119.36 113.86 1ock n ILE 64 Ca 0.00 -0.66 -0.37 0.00 -0.27 0.00 0.00 62.75 61.45 1ock n ILE 64 Cb 0.25 0.91 -0.12 0.00 -1.74 0.00 0.00 39.64 38.93 1ock n ILE 64 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ock s ILE 65 N -0.61 4.56 0.31 7.28 1.01 -0.55 -0.71 121.20 132.49 1ock s ILE 65 Ca 0.07 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1ock s ILE 65 Cb 0.05 -3.13 -0.13 0.00 0.01 0.00 0.00 42.46 39.26 1ock s ILE 65 CO 0.07 0.33 1.35 0.47 0.00 0.00 0.00 174.94 177.16 1ock n ASP 66 N 4.84 2.86 -4.00 3.58 8.00 -0.01 -4.91 116.55 126.91 1ock n ASP 66 Ca -0.16 1.18 -0.15 0.00 0.71 0.00 0.00 54.79 56.38 1ock n ASP 66 Cb 0.52 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.01 1ock n ASP 66 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ock s THR 67 N -0.69 0.45 -0.12 -3.53 -4.23 -1.25 -1.72 115.64 104.54 1ock s THR 67 Ca 0.60 -0.56 0.16 0.00 -1.18 0.00 0.00 61.69 60.71 1ock s THR 67 Cb -0.59 -0.45 -0.10 0.00 1.34 0.00 0.00 72.50 72.71 1ock s THR 67 CO 0.57 -0.08 0.95 0.00 -0.54 0.00 0.00 174.62 175.52 1ock h ALA 68 N 5.42 0.65 0.00 3.99 0.00 -1.78 -3.36 119.26 124.18 1ock h ALA 68 Ca -0.31 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1ock h ALA 68 Cb 1.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ock h ALA 68 CO 0.46 0.88 -1.05 0.27 0.00 0.00 0.00 179.25 179.81 1ock n ASN 69 N -2.96 0.88 -4.14 0.00 6.94 -1.26 -4.88 115.26 109.84 1ock n ASN 69 Ca -0.07 -0.86 -0.16 0.00 -0.02 0.00 0.00 54.58 53.46 1ock n ASN 69 Cb 0.82 1.03 -0.12 0.00 -2.36 0.00 0.00 39.78 39.16 1ock n ASN 69 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1ock s MET 70 N -3.05 0.74 0.85 -3.83 -1.94 -1.26 -5.15 119.30 105.66 1ock s MET 70 Ca 0.07 -0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 53.01 1ock s MET 70 Cb 0.16 -0.63 0.10 0.00 2.01 0.00 0.00 34.83 36.48 1ock s MET 70 CO 0.86 0.13 1.11 -2.14 -0.01 0.00 0.00 175.02 174.97 1ock s PRO 71 N -1.86 1.62 -0.34 2.03 0.02 -1.26 -4.37 135.00 130.83 1ock s PRO 71 Ca -0.03 1.26 -0.00 0.00 0.02 0.00 0.00 61.00 62.24 1ock s PRO 71 Cb -0.09 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.73 1ock s PRO 71 CO 0.01 -2.12 0.14 0.99 -0.33 0.00 0.00 177.00 175.70 1ock s THR 72 N -2.80 0.88 -2.44 0.99 2.01 -0.43 -4.82 115.64 109.02 1ock s THR 72 Ca 0.64 -1.68 0.23 0.00 0.31 0.00 0.00 61.69 61.18 1ock s THR 72 Cb -0.19 -1.66 0.43 0.00 0.01 0.00 0.00 72.50 71.09 1ock s THR 72 CO 0.57 -0.76 1.49 -0.62 -0.69 0.00 0.00 174.62 174.61 1ock n GLU 73 N 4.47 2.03 -1.05 4.92 1.02 -1.25 -4.56 120.64 126.22 1ock n GLU 73 Ca 0.02 -1.55 -0.07 0.00 -0.02 0.00 0.00 57.16 55.54 1ock n GLU 73 Cb 0.40 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1ock n GLU 73 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ock n MET 74 N 0.79 -1.74 -1.32 3.49 2.81 -0.36 -1.21 117.12 119.58 1ock n MET 74 Ca 0.17 0.62 -0.11 0.00 -1.81 0.00 0.00 57.70 56.57 1ock n MET 74 Cb 0.45 -4.77 -0.05 0.00 -0.71 0.00 0.00 33.22 28.14 1ock n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ock n GLY 75 N 0.34 1.17 3.16 3.03 0.00 -1.26 -1.07 105.19 110.55 1ock n GLY 75 Ca -0.07 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1ock n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ock s SER 76 N -2.65 1.83 0.51 1.61 0.15 -0.35 -3.50 113.70 111.30 1ock s SER 76 Ca 0.00 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.48 1ock s SER 76 Cb 0.00 -0.15 1.37 0.00 -1.71 0.00 0.00 66.02 65.53 1ock s SER 76 CO 0.00 0.10 2.07 -0.33 1.20 0.00 0.00 173.24 176.27 1ock h GLU 77 N 5.14 0.00 0.00 5.44 5.08 -1.84 -1.56 114.58 126.84 1ock h GLU 77 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1ock h GLU 77 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ock h GLU 77 CO 0.45 0.13 -0.05 0.82 -1.00 0.00 0.00 179.01 179.36 1ock h ILE 78 N 0.00 0.98 -0.32 3.13 2.04 -1.89 -2.30 117.51 119.14 1ock h ILE 78 Ca -0.00 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 1ock h ILE 78 Cb 0.31 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1ock h ILE 78 CO 0.02 0.05 -0.00 -1.22 0.00 0.00 0.00 178.15 176.99 1ock n TYR 79 N -4.40 1.07 -1.84 1.37 4.02 -0.60 -4.98 117.16 111.80 1ock n TYR 79 Ca -0.03 -1.22 -0.42 0.00 -0.01 0.00 0.00 57.90 56.22 1ock n TYR 79 Cb 0.13 -0.41 -0.03 0.00 -0.02 0.00 0.00 39.34 39.01 1ock n TYR 79 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1ock s ARG 80 N -3.03 4.17 0.00 -0.72 6.06 -0.87 -1.49 118.95 123.08 1ock s ARG 80 Ca 0.44 2.48 0.00 0.00 -2.50 0.00 0.00 55.73 56.14 1ock s ARG 80 Cb 0.37 -3.11 0.00 0.00 0.06 0.00 0.00 34.95 32.28 1ock s ARG 80 CO 0.05 -0.66 0.00 0.41 -2.50 0.00 0.00 175.30 172.60 1ock n GLY 81 N 3.63 0.64 3.71 8.12 0.00 -1.26 -4.99 105.19 115.04 1ock n GLY 81 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ock n GLY 81 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ock s TRP 82 N -2.76 3.19 -0.31 1.61 -0.11 -0.55 -4.96 118.94 115.04 1ock s TRP 82 Ca 0.00 0.89 0.02 0.00 1.22 0.00 0.00 56.10 58.24 1ock s TRP 82 Cb 0.00 -3.72 0.09 0.00 -1.50 0.00 0.00 33.47 28.35 1ock s TRP 82 CO 0.00 -2.54 0.04 -1.14 -4.62 0.00 0.00 176.95 168.69 1ock s GLN 83 N 1.20 1.33 0.74 5.86 2.00 -1.26 -1.32 119.66 128.22 1ock s GLN 83 Ca 0.65 -1.51 -0.15 0.00 -2.00 0.00 0.00 55.36 52.35 1ock s GLN 83 Cb -0.37 -2.77 0.05 0.00 0.80 0.00 0.00 33.01 30.71 1ock s GLN 83 CO 0.30 -0.89 1.23 -2.14 -0.50 0.00 0.00 175.29 173.29 1ock s PRO 84 N 1.17 2.02 0.08 1.67 0.02 -1.26 -4.94 135.00 133.76 1ock s PRO 84 Ca 0.07 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 1ock s PRO 84 Cb -0.19 -1.81 -0.24 0.00 0.02 0.00 0.00 34.50 32.28 1ock s PRO 84 CO -0.12 -1.94 1.16 -0.09 -0.33 0.00 0.00 177.00 175.68 1ock h ARG 85 N -0.35 0.52 -6.02 5.54 9.65 -1.90 -3.40 114.38 118.43 1ock h ARG 85 Ca -0.48 -0.68 -0.60 0.00 -1.10 0.00 0.00 59.98 57.12 1ock h ARG 85 Cb 1.31 0.22 -0.14 0.00 -1.39 0.00 0.00 29.97 29.97 1ock h ARG 85 CO 0.49 1.29 -0.72 -1.54 2.80 0.00 0.00 179.97 182.29 1ock s SER 86 N -7.30 3.52 0.17 -3.80 1.04 -1.26 -4.67 113.70 101.40 1ock s SER 86 Ca -0.08 -1.10 -0.28 0.00 0.48 0.00 0.00 55.95 54.97 1ock s SER 86 Cb 0.07 -0.30 -0.08 0.00 0.10 0.00 0.00 66.02 65.81 1ock s SER 86 CO 0.91 -0.09 0.87 -1.81 0.98 0.00 0.00 173.24 174.10 1ock s ASP 87 N -3.53 7.49 0.62 7.02 1.01 -1.26 -3.80 116.67 124.22 1ock s ASP 87 Ca 0.30 1.76 -0.18 0.00 0.71 0.00 0.00 52.55 55.14 1ock s ASP 87 Cb -0.01 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1ock s ASP 87 CO 0.15 0.12 1.22 0.00 0.21 0.00 0.00 175.17 176.87 1ock s ALA 88 N -0.81 2.47 0.33 5.23 0.00 -0.70 -4.73 121.76 123.55 1ock s ALA 88 Ca 0.40 1.03 0.10 0.00 0.00 0.00 0.00 51.96 53.49 1ock s ALA 88 Cb -0.24 -3.47 0.88 0.00 0.00 0.00 0.00 23.12 20.29 1ock s ALA 88 CO 0.29 -1.33 1.76 -1.35 0.00 0.00 0.00 175.76 175.13 1ock h PRO 89 N 0.68 0.59 -0.03 0.00 0.11 -1.92 0.12 132.00 131.55 1ock h PRO 89 Ca -0.50 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1ock h PRO 89 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ock h PRO 89 CO 0.54 0.39 -0.40 -0.39 -0.21 0.00 0.00 178.00 177.94 1ock h VAL 90 N 0.61 1.29 -0.40 3.15 -1.51 -1.83 -0.23 116.25 117.32 1ock h VAL 90 Ca 0.60 -1.40 -0.14 0.00 -1.23 0.00 0.00 66.70 64.53 1ock h VAL 90 Cb 1.15 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.02 1ock h VAL 90 CO -0.40 0.40 -0.31 0.58 -1.23 0.00 0.00 177.57 176.62 1ock h VAL 91 N 0.05 1.27 -0.07 7.19 2.07 -1.16 -2.87 116.25 122.72 1ock h VAL 91 Ca 0.00 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 1ock h VAL 91 Cb 0.73 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1ock h VAL 91 CO 0.05 0.50 -0.35 0.24 0.02 0.00 0.00 177.57 178.03 1ock h MET 92 N 0.74 0.14 -0.58 1.57 2.86 -0.69 -1.31 114.93 117.66 1ock h MET 92 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1ock h MET 92 Cb 0.89 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 1ock h MET 92 CO 0.08 0.48 0.23 0.52 1.06 0.00 0.00 176.91 179.28 1ock h MET 93 N 0.12 0.83 -0.07 1.72 2.86 -0.86 0.39 114.93 119.93 1ock h MET 93 Ca 0.01 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 1ock h MET 93 Cb 0.68 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.20 1ock h MET 93 CO 0.05 0.68 -0.51 -0.07 1.06 0.00 0.00 176.91 178.12 1ock h LEU 94 N 0.82 0.57 -0.59 1.22 3.38 -1.22 -3.13 115.31 116.37 1ock h LEU 94 Ca 0.20 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1ock h LEU 94 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ock h LEU 94 CO -0.02 1.16 0.10 0.11 0.09 0.00 0.00 178.44 179.88 1ock h LYS 95 N 0.02 0.97 0.00 1.13 1.57 -1.01 -1.73 116.57 117.53 1ock h LYS 95 Ca -0.04 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1ock h LYS 95 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1ock h LYS 95 CO 0.10 0.91 0.00 0.00 -0.57 0.00 0.00 179.45 179.90 1ock h ARG 96 N 0.87 0.00 -0.01 3.15 3.08 -1.01 -0.03 114.38 120.43 1ock h ARG 96 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ock h ARG 96 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ock h ARG 96 CO 0.01 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.77 1ock n ALA 97 N -1.99 2.85 -0.01 0.04 0.00 -0.87 -4.92 120.51 115.61 1ock n ALA 97 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ock n ALA 97 Cb 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1ock n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ock n GLY 98 N 1.27 0.79 3.80 0.00 0.00 -0.02 -0.99 105.19 110.04 1ock n GLY 98 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ock n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ock s ALA 99 N -2.01 2.38 -0.18 4.61 0.00 -0.71 -3.22 121.76 122.63 1ock s ALA 99 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 1ock s ALA 99 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1ock s ALA 99 CO 0.00 -1.56 -0.07 0.99 0.00 0.00 0.00 175.76 175.11 1ock s THR 100 N -3.07 3.32 -0.63 0.00 2.01 -0.31 -4.55 115.64 112.41 1ock s THR 100 Ca 0.60 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 1ock s THR 100 Cb -0.15 -2.47 0.05 0.00 0.01 0.00 0.00 72.50 69.94 1ock s THR 100 CO 0.55 0.46 1.05 -0.63 -0.69 0.00 0.00 174.62 175.36 1ock s ILE 101 N 1.00 4.18 -0.82 1.82 -1.09 -1.26 -0.64 121.20 124.39 1ock s ILE 101 Ca -0.00 0.14 0.26 0.00 -2.23 0.00 0.00 60.65 58.82 1ock s ILE 101 Cb -0.15 -4.69 0.14 0.00 -1.58 0.00 0.00 42.46 36.18 1ock s ILE 101 CO -0.00 -1.42 1.58 0.00 -1.23 0.00 0.00 174.94 173.87 1ock n ILE 102 N 6.19 0.26 0.00 2.92 3.06 -0.67 -4.89 119.36 126.22 1ock n ILE 102 Ca 0.01 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 60.10 1ock n ILE 102 Cb 0.47 -0.23 0.00 0.00 0.54 0.00 0.00 39.64 40.42 1ock n ILE 102 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ock n GLY 103 N 1.40 1.29 3.66 4.50 0.00 -1.25 -1.15 105.19 113.64 1ock n GLY 103 Ca 0.05 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1ock n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ock s LYS 104 N -2.00 4.06 0.28 1.61 -0.14 0.02 -1.24 119.74 122.33 1ock s LYS 104 Ca 0.00 -0.29 -0.06 0.00 -1.36 0.00 0.00 55.97 54.26 1ock s LYS 104 Cb 0.00 -3.42 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1ock s LYS 104 CO 0.00 0.16 0.56 0.95 -0.76 0.00 0.00 175.35 176.26 1ock s THR 105 N 0.73 5.00 0.51 2.17 -4.23 0.64 -0.02 115.64 120.45 1ock s THR 105 Ca 0.06 0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.51 1ock s THR 105 Cb -0.13 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 69.95 1ock s THR 105 CO 0.02 -0.28 1.34 0.42 -0.54 0.00 0.00 174.62 175.58 1ock s THR 106 N -2.04 2.22 0.04 3.99 -4.23 -0.33 -0.85 115.64 114.43 1ock s THR 106 Ca 0.45 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.15 1ock s THR 106 Cb -0.11 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 1ock s THR 106 CO 0.28 0.00 -0.06 0.28 -0.54 0.00 0.00 174.62 174.58 1ock s THR 107 N -1.31 0.42 0.73 3.99 -1.32 -1.26 -1.71 115.64 115.18 1ock s THR 107 Ca 0.68 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.01 1ock s THR 107 Cb -0.39 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1ock s THR 107 CO 0.48 -0.42 1.08 0.42 -2.21 0.00 0.00 174.62 173.97 1ock s THR 108 N -1.42 3.50 -0.14 5.08 -4.23 -1.14 -4.34 115.64 112.94 1ock s THR 108 Ca -0.12 0.53 -0.35 0.00 -1.18 0.00 0.00 61.69 60.57 1ock s THR 108 Cb -0.10 -3.08 -0.12 0.00 1.34 0.00 0.00 72.50 70.54 1ock s THR 108 CO -0.00 -0.60 1.88 0.00 -0.54 0.00 0.00 174.62 175.36 1ock n ALA 109 N -3.20 0.71 -2.55 3.99 0.00 -1.23 -0.87 120.51 117.36 1ock n ALA 109 Ca 0.09 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 1ock n ALA 109 Cb 0.53 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 1ock n ALA 109 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ock n PHE 110 N 6.71 -1.44 -2.58 0.00 3.01 -0.24 -1.90 117.46 121.03 1ock n PHE 110 Ca 0.24 0.07 -0.21 0.00 1.01 0.00 0.00 57.45 58.56 1ock n PHE 110 Cb 0.26 -2.95 0.00 0.00 -0.01 0.00 0.00 39.48 36.79 1ock n PHE 110 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ock n ALA 111 N -2.38 -0.72 -2.29 4.37 0.00 -0.05 -4.88 120.51 114.57 1ock n ALA 111 Ca -0.14 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ock n ALA 111 Cb 0.61 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1ock n ALA 111 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ock n SER 112 N -2.11 0.00 0.17 0.00 2.88 -0.80 -4.74 113.62 109.03 1ock n SER 112 Ca -0.21 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.38 1ock n SER 112 Cb 0.67 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.37 1ock n SER 112 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ock h ARG 113 N 0.00 0.00 -6.19 -1.46 3.08 -1.93 -3.44 114.38 104.44 1ock h ARG 113 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1ock h ARG 113 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ock h ARG 113 CO 0.00 0.40 1.32 -0.51 -1.07 0.00 0.00 179.97 180.11 1ock s ASP 114 N -6.41 6.02 0.59 7.04 1.01 -1.26 -4.48 116.67 119.18 1ock s ASP 114 Ca 0.02 2.12 -0.20 0.00 0.71 0.00 0.00 52.55 55.20 1ock s ASP 114 Cb 0.10 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1ock s ASP 114 CO 0.70 -1.48 1.16 -2.65 0.21 0.00 0.00 175.17 173.12 1ock n PRO 115 N 8.08 1.20 -2.25 8.23 -0.02 -1.26 -4.04 135.00 144.92 1ock n PRO 115 Ca 0.24 0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 62.00 1ock n PRO 115 Cb 0.44 -2.37 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1ock n PRO 115 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ock n THR 116 N -1.52 0.00 1.44 3.45 -2.24 -1.26 -4.91 114.28 109.24 1ock n THR 116 Ca 0.13 -1.31 0.14 0.00 -2.27 0.00 0.00 64.05 60.74 1ock n THR 116 Cb 0.46 -0.90 0.49 0.00 -2.10 0.00 0.00 70.33 68.28 1ock n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ock n ALA 117 N -2.82 2.68 -1.76 6.98 0.00 -1.26 -4.93 120.51 119.40 1ock n ALA 117 Ca -0.12 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.49 1ock n ALA 117 Cb 0.47 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.77 1ock n ALA 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ock s THR 118 N -2.11 2.38 0.11 0.00 2.01 -1.26 -4.85 115.64 111.93 1ock s THR 118 Ca 0.35 0.32 0.10 0.00 0.31 0.00 0.00 61.69 62.77 1ock s THR 118 Cb 0.21 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1ock s THR 118 CO 0.38 0.03 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.33 1ock s LEU 119 N -2.85 2.41 0.12 4.42 1.43 -0.20 -4.46 118.68 119.55 1ock s LEU 119 Ca 0.62 -0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 1ock s LEU 119 Cb -0.39 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.40 1ock s LEU 119 CO 0.49 0.20 1.67 0.21 0.23 0.00 0.00 176.35 179.15 1ock s ASN 120 N -1.90 6.54 0.55 2.29 3.84 0.11 -4.71 114.94 121.65 1ock s ASN 120 Ca 0.15 2.61 0.23 0.00 0.21 0.00 0.00 52.86 56.06 1ock s ASN 120 Cb -0.10 -2.58 1.52 0.00 -0.55 0.00 0.00 41.25 39.55 1ock s ASN 120 CO 0.06 -0.90 2.18 -0.65 -2.79 0.00 0.00 177.10 175.00 1ock h PRO 121 N 7.83 0.00 0.00 0.43 0.11 -1.90 -2.11 132.00 136.36 1ock h PRO 121 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1ock h PRO 121 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ock h PRO 121 CO 0.93 0.00 -0.53 0.45 -0.21 0.00 0.00 178.00 178.64 1ock h HIS 122 N 0.00 0.00 -0.77 0.65 3.86 -1.90 -3.43 115.15 113.55 1ock h HIS 122 Ca 0.02 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1ock h HIS 122 Cb 0.09 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.36 1ock h HIS 122 CO 0.00 0.36 -0.23 1.21 0.86 0.00 0.00 177.93 180.13 1ock s ASN 123 N -6.24 -1.21 0.00 2.45 3.84 -0.83 -4.92 114.94 108.03 1ock s ASN 123 Ca 0.04 0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.40 1ock s ASN 123 Cb 0.07 1.83 0.00 0.00 -0.55 0.00 0.00 41.25 42.60 1ock s ASN 123 CO 0.74 -0.22 0.95 0.35 -2.79 0.00 0.00 177.10 176.12 1ock n THR 124 N 5.36 1.79 1.60 -5.21 -2.24 -0.98 -0.81 114.28 113.79 1ock n THR 124 Ca 0.04 0.49 0.13 0.00 -2.27 0.00 0.00 64.05 62.44 1ock n THR 124 Cb 0.54 -1.49 0.58 0.00 -2.10 0.00 0.00 70.33 67.87 1ock n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ock n GLY 125 N -1.45 -0.26 3.47 3.38 0.00 -1.26 -4.60 105.19 104.48 1ock n GLY 125 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1ock n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ock s HIS 126 N -1.95 2.24 0.44 1.61 3.76 0.01 -1.20 115.29 120.20 1ock s HIS 126 Ca 0.38 -0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 54.65 1ock s HIS 126 Cb 0.19 -1.06 -0.08 0.00 1.11 0.00 0.00 32.58 32.74 1ock s HIS 126 CO 0.31 0.64 1.10 0.45 -0.85 0.00 0.00 174.74 176.39 1ock s SER 127 N -3.51 6.45 0.00 1.40 0.15 0.08 -0.71 113.70 117.56 1ock s SER 127 Ca 0.30 2.14 0.24 0.00 0.70 0.00 0.00 55.95 59.32 1ock s SER 127 Cb -0.03 -2.59 0.72 0.00 -1.71 0.00 0.00 66.02 62.41 1ock s SER 127 CO 0.14 -0.71 1.55 -0.81 1.20 0.00 0.00 173.24 174.61 1ock n PRO 128 N -0.36 1.91 0.00 5.44 -0.04 -1.26 -4.34 135.00 136.35 1ock n PRO 128 Ca 0.06 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1ock n PRO 128 Cb 0.49 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1ock n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ock n GLY 129 N 1.23 -2.57 3.83 0.55 0.00 -1.26 -4.47 105.19 102.50 1ock n GLY 129 Ca 0.17 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 1ock n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ock s GLY 130 N -0.93 0.15 0.05 -0.02 0.00 -1.24 -4.17 107.32 101.15 1ock s GLY 130 Ca 0.00 -0.46 0.26 0.00 0.00 0.00 0.00 44.72 44.52 1ock s GLY 130 CO 0.00 0.38 1.60 -1.14 0.00 0.00 0.00 173.10 173.94 1ock n SER 131 N -1.07 0.43 -2.59 1.64 3.41 -1.25 -4.04 113.62 110.15 1ock n SER 131 Ca -0.06 0.17 -0.25 0.00 -0.26 0.00 0.00 58.87 58.47 1ock n SER 131 Cb 0.60 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 1ock n SER 131 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ock n SER 132 N -1.73 6.71 0.20 4.04 7.64 -1.14 -2.90 113.62 126.44 1ock n SER 132 Ca 0.05 -2.66 -0.16 0.00 1.01 0.00 0.00 58.87 57.11 1ock n SER 132 Cb 0.37 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.05 1ock n SER 132 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ock h SER 133 N 3.74 -1.29 -0.03 6.43 0.02 -1.72 -2.74 113.55 117.96 1ock h SER 133 Ca 0.47 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.48 1ock h SER 133 Cb 0.94 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1ock h SER 133 CO 0.89 -0.57 -0.15 1.23 -1.14 0.00 0.00 176.83 177.09 1ock h GLY 134 N -0.82 0.39 0.93 -3.77 0.00 -1.52 -1.67 103.07 96.62 1ock h GLY 134 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1ock h GLY 134 CO -0.15 0.24 -0.03 1.76 0.00 0.00 0.00 176.54 178.36 1ock h SER 135 N 0.33 0.66 -0.27 0.19 0.02 -1.75 0.12 113.55 112.86 1ock h SER 135 Ca 0.06 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1ock h SER 135 Cb 0.47 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ock h SER 135 CO 0.03 0.83 -0.12 0.00 -1.14 0.00 0.00 176.83 176.43 1ock h ALA 136 N 0.85 0.39 -0.59 3.77 0.00 -1.40 -2.77 119.26 119.51 1ock h ALA 136 Ca 0.10 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1ock h ALA 136 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ock h ALA 136 CO 0.02 0.25 0.11 0.00 0.00 0.00 0.00 179.25 179.63 1ock h ALA 137 N 0.75 0.78 -0.22 0.00 0.00 -1.25 0.89 119.26 120.21 1ock h ALA 137 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ock h ALA 137 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ock h ALA 137 CO 0.04 0.52 0.12 0.00 0.00 0.00 0.00 179.25 179.93 1ock h ALA 138 N 1.02 0.28 -0.42 0.00 0.00 -0.76 0.98 119.26 120.35 1ock h ALA 138 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ock h ALA 138 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ock h ALA 138 CO 0.01 -0.20 -0.02 0.28 0.00 0.00 0.00 179.25 179.32 1ock h VAL 139 N 0.25 1.26 0.00 0.00 2.07 -1.42 -0.98 116.25 117.44 1ock h VAL 139 Ca 0.08 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1ock h VAL 139 Cb 0.05 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1ock h VAL 139 CO -0.01 0.36 -0.06 1.23 0.02 0.00 0.00 177.57 179.11 1ock h GLY 140 N 0.59 0.00 -0.38 2.17 0.00 -0.48 -1.76 103.07 103.21 1ock h GLY 140 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ock h GLY 140 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1ock n ALA 141 N -2.50 2.57 -1.81 3.60 0.00 0.31 -4.79 120.51 117.89 1ock n ALA 141 Ca -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 52.92 1ock n ALA 141 Cb 0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 1ock n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ock n GLY 142 N 1.13 0.35 0.14 0.00 0.00 -0.66 -4.93 105.19 101.22 1ock n GLY 142 Ca 0.19 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1ock n GLY 142 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ock h MET 143 N 0.00 0.41 -4.06 1.61 2.07 -1.38 -3.42 114.93 110.16 1ock h MET 143 Ca -0.13 -0.71 -0.14 0.00 -2.07 0.00 0.00 59.70 56.65 1ock h MET 143 Cb 0.87 0.26 -0.18 0.00 -1.87 0.00 0.00 31.60 30.69 1ock h MET 143 CO 0.16 1.34 -0.65 0.96 1.07 0.00 0.00 176.91 179.79 1ock s ILE 144 N -2.56 0.16 -0.50 -1.22 -4.36 -1.24 -4.35 121.20 107.13 1ock s ILE 144 Ca -0.14 -1.35 0.24 0.00 -0.26 0.00 0.00 60.65 59.13 1ock s ILE 144 Cb 0.04 -0.96 0.26 0.00 1.25 0.00 0.00 42.46 43.06 1ock s ILE 144 CO 0.87 -0.75 1.56 1.55 0.24 0.00 0.00 174.94 178.41 1ock h PRO 145 N 3.76 0.00 -2.76 0.37 0.13 -1.77 -3.41 132.00 128.32 1ock h PRO 145 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1ock h PRO 145 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1ock h PRO 145 CO 0.54 0.00 -0.15 -1.17 -0.23 0.00 0.00 178.00 177.00 1ock s LEU 146 N -5.54 0.44 -0.06 1.56 2.96 -1.24 -4.38 118.68 112.42 1ock s LEU 146 Ca 0.07 0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 54.02 1ock s LEU 146 Cb 0.08 1.62 0.04 0.00 0.50 0.00 0.00 46.19 48.43 1ock s LEU 146 CO 0.67 -0.50 0.47 0.00 -1.32 0.00 0.00 176.35 175.68 1ock s ALA 147 N -1.33 -1.21 -0.00 5.97 0.00 -0.98 -1.76 121.76 122.44 1ock s ALA 147 Ca -0.13 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1ock s ALA 147 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1ock s ALA 147 CO 0.06 -0.29 0.04 -0.51 0.00 0.00 0.00 175.76 175.05 1ock s LEU 148 N -0.99 3.71 0.00 0.00 1.43 -0.50 -0.65 118.68 121.68 1ock s LEU 148 Ca -0.10 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1ock s LEU 148 Cb -0.03 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1ock s LEU 148 CO 0.06 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1ock n GLY 149 N 1.30 3.51 3.11 -3.19 0.00 -0.44 -2.21 105.19 107.27 1ock n GLY 149 Ca -0.14 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 1ock n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ock s THR 150 N -2.25 0.21 -0.02 2.61 -4.23 -1.26 -0.80 115.64 109.90 1ock s THR 150 Ca 0.00 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1ock s THR 150 Cb 0.00 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.37 1ock s THR 150 CO 0.00 -0.94 0.03 -1.58 -0.54 0.00 0.00 174.62 171.60 1ock s GLN 151 N -3.91 -0.04 0.00 3.99 0.74 0.38 -3.57 119.66 117.25 1ock s GLN 151 Ca 0.07 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.68 1ock s GLN 151 Cb 0.07 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.92 1ock s GLN 151 CO -0.10 -0.18 0.00 2.41 -0.55 0.00 0.00 175.29 176.87 1ock n THR 152 N 4.25 0.00 0.00 -0.34 -1.04 -1.26 -1.05 114.28 114.83 1ock n THR 152 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1ock n THR 152 Cb 0.50 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1ock n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ock n GLY 153 N 2.85 0.13 1.16 3.41 0.00 -1.26 -4.80 105.19 106.68 1ock n GLY 153 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1ock n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ock n GLY 154 N 3.64 0.76 0.00 -0.02 0.00 -1.26 -2.67 105.19 105.64 1ock n GLY 154 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1ock n GLY 154 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ock n SER 155 N 0.23 0.00 -0.03 1.61 7.64 -1.26 -1.75 113.62 120.07 1ock n SER 155 Ca -0.09 -0.21 -0.07 0.00 1.01 0.00 0.00 58.87 59.51 1ock n SER 155 Cb 0.89 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 1ock n SER 155 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ock n VAL 156 N -1.07 0.99 -0.19 0.44 0.31 -1.23 -2.90 118.33 114.68 1ock n VAL 156 Ca 0.07 0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 1ock n VAL 156 Cb 0.05 -1.77 0.01 0.00 -0.91 0.00 0.00 33.84 31.22 1ock n VAL 156 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ock h ILE 157 N -0.38 1.26 0.28 2.52 1.08 -1.93 -2.64 117.51 117.71 1ock h ILE 157 Ca -0.12 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1ock h ILE 157 Cb 0.77 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1ock h ILE 157 CO -0.07 0.37 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.53 1ock h ARG 158 N 0.80 -0.36 -0.20 2.37 2.43 -1.49 -1.79 114.38 116.14 1ock h ARG 158 Ca 0.16 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1ock h ARG 158 Cb 0.47 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1ock h ARG 158 CO 0.02 -0.08 0.03 -1.00 -1.51 0.00 0.00 179.97 177.44 1ock h PRO 159 N -0.64 0.28 -0.38 0.20 0.13 -1.74 -0.57 132.00 129.28 1ock h PRO 159 Ca -0.04 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1ock h PRO 159 Cb 0.45 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1ock h PRO 159 CO 0.06 0.28 0.17 0.00 -0.23 0.00 0.00 178.00 178.28 1ock h ALA 160 N 1.76 0.49 -0.23 -0.56 0.00 -1.38 -0.76 119.26 118.58 1ock h ALA 160 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ock h ALA 160 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ock h ALA 160 CO -0.00 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.45 1ock h ALA 161 N 1.01 0.29 -0.43 0.00 0.00 -0.48 0.76 119.26 120.42 1ock h ALA 161 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ock h ALA 161 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ock h ALA 161 CO -0.01 -0.20 0.25 1.88 0.00 0.00 0.00 179.25 181.17 1ock h TYR 162 N 0.27 0.55 -0.13 0.00 0.99 -0.92 -2.56 116.97 115.17 1ock h TYR 162 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1ock h TYR 162 Cb 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 37.58 1ock h TYR 162 CO -0.04 0.38 0.00 0.00 -0.00 0.00 0.00 178.16 178.49 1ock n GLY 164 N 1.33 -0.11 3.65 0.00 0.00 0.13 -4.63 105.19 105.56 1ock n GLY 164 Ca 0.16 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1ock n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ock s THR 165 N -2.87 3.22 0.46 2.61 -4.23 -0.45 -4.85 115.64 109.54 1ock s THR 165 Ca 0.14 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 1ock s THR 165 Cb -0.06 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.86 1ock s THR 165 CO 0.17 -0.33 0.94 0.00 -0.54 0.00 0.00 174.62 174.87 1ock s ALA 166 N -2.38 3.09 -0.10 3.99 0.00 0.18 -4.48 121.76 122.06 1ock s ALA 166 Ca 0.33 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1ock s ALA 166 Cb -0.05 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 20.10 1ock s ALA 166 CO 0.20 -0.05 0.89 0.00 0.00 0.00 0.00 175.76 176.80 1ock s ALA 167 N -2.40 -1.87 -0.01 0.00 0.00 -1.24 -1.38 121.76 114.86 1ock s ALA 167 Ca 0.59 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.98 1ock s ALA 167 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1ock s ALA 167 CO 0.24 -0.38 -0.03 -1.50 0.00 0.00 0.00 175.76 174.08 1ock s ILE 168 N -1.45 0.29 -0.48 0.00 2.07 -0.49 -0.71 121.20 120.43 1ock s ILE 168 Ca -0.03 -0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.05 1ock s ILE 168 Cb -0.00 -0.28 0.13 0.00 0.13 0.00 0.00 42.46 42.44 1ock s ILE 168 CO 0.02 0.10 0.31 -0.75 -1.91 0.00 0.00 174.94 172.71 1ock s LYS 169 N 0.17 2.29 1.24 3.50 2.20 0.07 -1.63 119.74 127.58 1ock s LYS 169 Ca -0.01 -1.98 -0.16 0.00 -0.36 0.00 0.00 55.97 53.45 1ock s LYS 169 Cb -0.04 -3.73 0.28 0.00 -1.51 0.00 0.00 37.83 32.83 1ock s LYS 169 CO -0.00 -1.13 0.78 -2.30 -0.36 0.00 0.00 175.35 172.33 1ock n PRO 170 N 4.41 -2.96 -1.69 4.03 -0.02 -1.26 -1.34 135.00 136.17 1ock n PRO 170 Ca -0.01 -0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 60.20 1ock n PRO 170 Cb 0.41 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.90 1ock n PRO 170 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ock n SER 171 N -4.49 2.40 -4.59 2.55 7.64 -1.26 -4.53 113.62 111.34 1ock n SER 171 Ca 0.04 1.12 -0.47 0.00 1.01 0.00 0.00 58.87 60.57 1ock n SER 171 Cb 0.56 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 1ock n SER 171 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1ock n PHE 172 N -0.13 1.38 -0.81 1.43 7.35 -0.18 -2.23 117.46 124.28 1ock n PHE 172 Ca 0.07 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1ock n PHE 172 Cb 0.39 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 37.93 1ock n PHE 172 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ock n ARG 173 N 1.54 -0.82 -0.13 -4.13 1.74 -1.26 -4.86 116.66 108.74 1ock n ARG 173 Ca 0.13 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.32 1ock n ARG 173 Cb 0.27 -4.34 -0.02 0.00 -1.02 0.00 0.00 32.46 27.35 1ock n ARG 173 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1ock h MET 174 N 0.41 0.62 -5.69 5.56 4.05 -1.80 -3.40 114.93 114.67 1ock h MET 174 Ca 0.00 -0.18 -0.61 0.00 -0.28 0.00 0.00 59.70 58.63 1ock h MET 174 Cb 0.41 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.06 1ock h MET 174 CO 0.00 0.70 -0.31 -0.51 0.23 0.00 0.00 176.91 177.02 1ock s LEU 175 N -9.53 4.35 0.48 3.39 1.43 -1.26 -5.06 118.68 112.47 1ock s LEU 175 Ca -0.13 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.40 1ock s LEU 175 Cb 0.09 -2.40 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 1ock s LEU 175 CO 0.77 0.22 1.20 -2.16 0.23 0.00 0.00 176.35 176.61 1ock s PRO 176 N -0.30 3.65 -0.10 1.29 0.04 -1.26 -4.70 135.00 133.63 1ock s PRO 176 Ca 0.19 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.24 1ock s PRO 176 Cb -0.14 -2.37 0.60 0.00 0.04 0.00 0.00 34.50 32.63 1ock s PRO 176 CO 0.07 -0.66 1.52 0.25 0.04 0.00 0.00 177.00 178.22 1ock n THR 177 N -0.59 1.73 -1.91 1.26 -2.24 -1.26 -4.63 114.28 106.64 1ock n THR 177 Ca 0.08 -1.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.17 1ock n THR 177 Cb 0.48 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 1ock n THR 177 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ock s VAL 178 N -1.83 2.37 -0.45 2.28 1.01 -1.26 -1.53 120.40 120.99 1ock s VAL 178 Ca 0.44 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1ock s VAL 178 Cb 0.29 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1ock s VAL 178 CO 0.20 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1ock n GLY 179 N 1.77 0.69 3.10 4.51 0.00 -1.26 -4.03 105.19 109.97 1ock n GLY 179 Ca 0.06 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1ock n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ock s VAL 180 N -2.04 2.15 -0.30 1.61 1.01 -0.58 -0.83 120.40 121.41 1ock s VAL 180 Ca 0.00 -1.24 -0.41 0.00 0.00 0.00 0.00 61.98 60.33 1ock s VAL 180 Cb 0.00 -2.07 -0.17 0.00 0.00 0.00 0.00 36.38 34.15 1ock s VAL 180 CO 0.00 0.28 1.69 1.17 0.00 0.00 0.00 175.10 178.24 1ock n LYS 181 N 4.54 0.93 -2.96 2.72 3.00 0.11 -4.89 118.16 121.62 1ock n LYS 181 Ca -0.18 0.34 -0.40 0.00 -0.00 0.00 0.00 58.31 58.08 1ock n LYS 181 Cb 0.46 -1.99 -0.06 0.00 0.00 0.00 0.00 35.03 33.45 1ock n LYS 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ock n TYR 183 N 1.97 0.00 -3.56 0.00 4.19 -1.26 -4.67 117.16 113.83 1ock n TYR 183 Ca -0.04 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 60.96 1ock n TYR 183 Cb 0.49 -0.23 -0.15 0.00 0.49 0.00 0.00 39.34 39.94 1ock n TYR 183 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1ock s SER 184 N -5.81 1.66 0.57 2.98 0.15 -1.26 -2.71 113.70 109.27 1ock s SER 184 Ca -0.10 -0.29 0.35 0.00 0.70 0.00 0.00 55.95 56.61 1ock s SER 184 Cb 0.03 0.12 1.61 0.00 -1.71 0.00 0.00 66.02 66.07 1ock s SER 184 CO 0.13 -0.32 2.08 4.11 1.20 0.00 0.00 173.24 180.44 1ock h TRP 185 N 8.36 0.00 0.00 3.44 0.09 -1.94 0.24 115.95 126.14 1ock h TRP 185 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.82 1ock h TRP 185 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.39 1ock h TRP 185 CO 0.19 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1ock n ALA 186 N -2.13 2.07 0.00 0.11 0.00 -1.26 -4.36 120.51 114.94 1ock n ALA 186 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ock n ALA 186 Cb 0.25 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1ock n ALA 186 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ock n LEU 187 N -2.17 2.37 -4.64 0.00 4.77 -0.53 -4.91 117.00 111.89 1ock n LEU 187 Ca 0.05 0.00 -0.60 0.00 -0.03 0.00 0.00 56.01 55.43 1ock n LEU 187 Cb 0.35 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1ock n LEU 187 CO 0.26 0.40 0.98 0.47 -1.33 0.00 0.00 177.39 178.17 1ock n ASP 188 N -2.29 1.24 -3.82 -1.43 8.00 0.72 -4.59 116.55 114.37 1ock n ASP 188 Ca 0.00 1.14 -0.16 0.00 0.71 0.00 0.00 54.79 56.48 1ock n ASP 188 Cb 0.40 -1.02 -0.16 0.00 -0.02 0.00 0.00 41.12 40.33 1ock n ASP 188 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ock s THR 189 N 1.78 0.10 0.26 -3.53 2.01 -0.22 -4.76 115.64 111.29 1ock s THR 189 Ca 0.95 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1ock s THR 189 Cb -1.22 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 71.00 1ock s THR 189 CO 0.64 0.11 1.02 -0.69 -0.69 0.00 0.00 174.62 175.02 1ock s VAL 190 N 0.89 3.77 0.28 3.82 1.01 -1.26 -0.47 120.40 128.44 1ock s VAL 190 Ca -0.08 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.69 1ock s VAL 190 Cb -0.12 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1ock s VAL 190 CO -0.02 0.41 0.09 -0.83 0.00 0.00 0.00 175.10 174.75 1ock s GLY 191 N -1.04 1.86 0.09 4.51 0.00 0.02 -4.22 107.32 108.54 1ock s GLY 191 Ca 0.43 -1.91 0.07 0.00 0.00 0.00 0.00 44.72 43.31 1ock s GLY 191 CO 0.36 -1.66 -0.19 1.08 0.00 0.00 0.00 173.10 172.69 1ock s LEU 192 N -3.37 2.29 0.01 0.66 1.02 -0.65 -1.33 118.68 117.31 1ock s LEU 192 Ca 0.37 -0.66 0.08 0.00 0.02 0.00 0.00 54.13 53.94 1ock s LEU 192 Cb 0.08 -0.78 -0.02 0.00 0.02 0.00 0.00 46.19 45.49 1ock s LEU 192 CO 0.14 0.02 -0.24 -0.36 0.02 0.00 0.00 176.35 175.93 1ock s PHE 193 N -1.19 2.17 0.29 0.29 0.40 0.18 -1.39 117.98 118.73 1ock s PHE 193 Ca 0.04 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 1ock s PHE 193 Cb -0.10 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.12 1ock s PHE 193 CO 0.04 0.02 0.68 0.41 0.70 0.00 0.00 175.22 177.07 1ock n GLY 194 N 2.21 1.08 0.15 4.36 0.00 -0.48 -2.33 105.19 110.19 1ock n GLY 194 Ca -0.16 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1ock n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ock h ALA 195 N 2.00 -0.27 -2.21 4.61 0.00 -1.76 0.53 119.26 122.16 1ock h ALA 195 Ca -0.26 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 54.04 1ock h ALA 195 Cb 1.00 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1ock h ALA 195 CO 0.34 -0.39 -0.62 1.03 0.00 0.00 0.00 179.25 179.60 1ock s ARG 196 N -3.94 1.46 0.38 0.00 0.52 -1.26 -3.15 118.95 112.95 1ock s ARG 196 Ca -0.13 -1.78 0.09 0.00 -0.52 0.00 0.00 55.73 53.38 1ock s ARG 196 Cb 0.01 -0.53 0.84 0.00 0.52 0.00 0.00 34.95 35.79 1ock s ARG 196 CO 0.52 -0.21 1.92 0.00 0.02 0.00 0.00 175.30 177.55 1ock h ALA 197 N 2.33 1.84 -0.41 2.13 0.00 -1.92 -0.46 119.26 122.77 1ock h ALA 197 Ca -0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ock h ALA 197 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ock h ALA 197 CO 0.64 -0.01 0.16 1.49 0.00 0.00 0.00 179.25 181.53 1ock h GLU 198 N 0.65 0.58 -0.33 0.00 4.81 -1.96 -0.86 114.58 117.47 1ock h GLU 198 Ca 0.36 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1ock h GLU 198 Cb 0.53 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1ock h GLU 198 CO -0.14 0.49 -0.33 -0.44 -0.73 0.00 0.00 179.01 177.86 1ock h ASP 199 N 0.58 0.76 -0.36 1.04 3.32 -1.50 -1.38 116.42 118.88 1ock h ASP 199 Ca 0.14 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1ock h ASP 199 Cb 0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1ock h ASP 199 CO -0.01 1.03 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.31 1ock h LEU 200 N 0.61 0.82 -0.16 1.55 3.38 -1.02 -0.24 115.31 120.25 1ock h LEU 200 Ca 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1ock h LEU 200 Cb 0.85 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1ock h LEU 200 CO 0.07 0.98 0.03 0.00 0.09 0.00 0.00 178.44 179.61 1ock h ALA 201 N 1.09 0.21 -0.85 1.53 0.00 -0.97 -0.89 119.26 119.39 1ock h ALA 201 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ock h ALA 201 Cb 0.66 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ock h ALA 201 CO 0.05 -0.12 0.56 0.00 0.00 0.00 0.00 179.25 179.73 1ock h ARG 202 N 0.05 1.11 -0.20 0.00 2.47 -1.08 0.11 114.38 116.85 1ock h ARG 202 Ca 0.05 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1ock h ARG 202 Cb 0.30 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1ock h ARG 202 CO 0.00 0.74 0.03 0.78 0.56 0.00 0.00 179.97 182.08 1ock h GLY 203 N 1.15 0.36 1.74 0.04 0.00 -0.78 -2.35 103.07 103.23 1ock h GLY 203 Ca 0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1ock h GLY 203 CO -0.07 0.23 -0.23 1.41 0.00 0.00 0.00 176.54 177.88 1ock h LEU 204 N 0.12 0.31 -0.40 3.11 3.38 -0.76 -1.82 115.31 119.26 1ock h LEU 204 Ca 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ock h LEU 204 Cb 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ock h LEU 204 CO 0.01 0.55 0.09 0.25 0.09 0.00 0.00 178.44 179.42 1ock h LEU 205 N 0.29 0.62 -0.75 1.67 5.85 -0.84 -0.12 115.31 122.02 1ock h LEU 205 Ca 0.05 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1ock h LEU 205 Cb 0.56 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1ock h LEU 205 CO 0.04 0.70 -0.45 0.00 -0.34 0.00 0.00 178.44 178.38 1ock h ALA 206 N 0.94 0.93 -0.03 1.25 0.00 -1.24 0.13 119.26 121.24 1ock h ALA 206 Ca 0.12 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1ock h ALA 206 Cb 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ock h ALA 206 CO 0.00 0.64 -0.59 0.52 0.00 0.00 0.00 179.25 179.83 1ock h MET 207 N 0.32 0.45 0.00 0.00 2.86 -1.19 -3.39 114.93 113.98 1ock h MET 207 Ca 0.02 -0.45 -0.31 0.00 -2.06 0.00 0.00 59.70 56.91 1ock h MET 207 Cb 0.92 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 1ock h MET 207 CO 0.08 1.10 -2.17 0.25 1.06 0.00 0.00 176.91 177.23 1ock n THR 208 N -4.21 1.30 -0.98 2.22 -2.24 -0.07 -4.89 114.28 105.41 1ock n THR 208 Ca -0.10 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1ock n THR 208 Cb 0.66 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1ock n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ock n GLY 209 N 1.65 0.43 3.70 3.38 0.00 0.44 -4.98 105.19 109.80 1ock n GLY 209 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1ock n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ock s ARG 210 N -0.50 4.50 0.63 1.61 0.52 -1.26 -4.93 118.95 119.51 1ock s ARG 210 Ca 0.00 1.42 0.34 0.00 -0.52 0.00 0.00 55.73 56.97 1ock s ARG 210 Cb 0.00 -3.49 1.93 0.00 0.52 0.00 0.00 34.95 33.91 1ock s ARG 210 CO 0.00 -0.17 2.19 0.66 0.02 0.00 0.00 175.30 178.00 1ock h SER 211 N 6.93 0.00 0.35 0.23 4.64 -1.95 -1.89 113.55 121.86 1ock h SER 211 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ock h SER 211 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ock h SER 211 CO 0.80 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.81 1ock h GLU 212 N 0.00 0.00 -0.36 4.77 4.11 -2.02 -0.50 114.58 120.58 1ock h GLU 212 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1ock h GLU 212 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ock h GLU 212 CO -0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 1ock n PHE 213 N -2.49 0.47 -3.74 2.06 3.01 -0.71 -4.69 117.46 111.37 1ock n PHE 213 Ca -0.00 -0.26 -0.35 0.00 1.01 0.00 0.00 57.45 57.84 1ock n PHE 213 Cb 0.13 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 1ock n PHE 213 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ock s SER 214 N -1.39 6.25 -0.78 4.37 0.15 -0.20 -4.41 113.70 117.69 1ock s SER 214 Ca 0.36 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1ock s SER 214 Cb 0.21 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1ock s SER 214 CO 0.29 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.55 1ock n GLY 215 N 3.27 0.55 3.77 9.45 0.00 -1.26 -4.99 105.19 115.98 1ock n GLY 215 Ca -0.16 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1ock n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ock s ILE 216 N -2.35 2.67 0.08 -0.61 1.01 -1.26 -5.03 121.20 115.72 1ock s ILE 216 Ca 0.00 0.68 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1ock s ILE 216 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1ock s ILE 216 CO 0.00 0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 174.32 1ock s VAL 217 N -1.14 0.85 0.34 2.92 1.01 -1.26 -5.10 120.40 118.02 1ock s VAL 217 Ca 0.49 -1.53 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 1ock s VAL 217 Cb -0.40 -1.22 -0.13 0.00 0.00 0.00 0.00 36.38 34.64 1ock s VAL 217 CO 0.54 -0.53 1.12 -2.65 0.00 0.00 0.00 175.10 173.58 1ock n PRO 218 N 0.74 1.66 -1.77 2.72 -0.02 -1.26 -4.71 135.00 132.36 1ock n PRO 218 Ca -0.17 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1ock n PRO 218 Cb 0.57 -2.08 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1ock n PRO 218 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ock s ALA 219 N -1.12 2.48 -0.11 3.55 0.00 -0.65 -4.90 121.76 121.01 1ock s ALA 219 Ca 0.58 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1ock s ALA 219 Cb -0.62 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 1ock s ALA 219 CO 0.60 -1.26 -0.18 0.15 0.00 0.00 0.00 175.76 175.07 1ock s LYS 220 N -4.07 3.18 -1.33 0.00 -0.14 -1.26 -4.71 119.74 111.41 1ock s LYS 220 Ca 0.67 -0.77 -0.20 0.00 -1.36 0.00 0.00 55.97 54.31 1ock s LYS 220 Cb -0.21 -2.47 0.02 0.00 -1.68 0.00 0.00 37.83 33.50 1ock s LYS 220 CO 0.41 0.23 0.46 0.00 -0.76 0.00 0.00 175.35 175.69 1ock n ALA 221 N 3.43 -2.37 -1.76 5.17 0.00 -1.26 -4.87 120.51 118.85 1ock n ALA 221 Ca -0.18 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.39 1ock n ALA 221 Cb 0.53 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.87 1ock n ALA 221 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ock s PRO 222 N -7.21 3.62 -0.50 0.00 0.02 -1.26 -4.59 135.00 125.07 1ock s PRO 222 Ca 0.30 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 63.23 1ock s PRO 222 Cb -0.16 -2.50 0.05 0.00 0.02 0.00 0.00 34.50 31.91 1ock s PRO 222 CO 0.96 -0.77 0.73 1.03 -0.33 0.00 0.00 177.00 178.62 1ock s ARG 223 N -2.59 3.22 -0.15 5.54 0.52 -1.26 -1.94 118.95 122.29 1ock s ARG 223 Ca 0.64 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1ock s ARG 223 Cb -0.37 -4.05 -0.03 0.00 0.52 0.00 0.00 34.95 31.02 1ock s ARG 223 CO 0.46 -1.25 -0.00 0.42 0.02 0.00 0.00 175.30 174.94 1ock s ILE 224 N 3.07 4.22 -0.35 1.52 1.01 0.13 -1.01 121.20 129.80 1ock s ILE 224 Ca 0.21 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 1ock s ILE 224 Cb -0.16 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1ock s ILE 224 CO 0.16 0.51 0.12 -0.83 0.00 0.00 0.00 174.94 174.90 1ock s GLY 225 N 0.09 1.86 -0.14 6.18 0.00 -0.37 -1.36 107.32 113.58 1ock s GLY 225 Ca 0.01 -1.74 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 1ock s GLY 225 CO 0.02 0.79 1.14 0.14 0.00 0.00 0.00 173.10 175.19 1ock s VAL 226 N 1.43 4.47 -0.22 1.40 1.01 0.82 -1.55 120.40 127.77 1ock s VAL 226 Ca -0.01 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1ock s VAL 226 Cb -0.19 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1ock s VAL 226 CO 0.04 -0.08 -0.12 0.68 0.00 0.00 0.00 175.10 175.61 1ock s VAL 227 N 2.77 1.90 -2.31 2.92 -7.23 0.10 -0.91 120.40 117.65 1ock s VAL 227 Ca 0.51 -1.24 0.26 0.00 -1.81 0.00 0.00 61.98 59.71 1ock s VAL 227 Cb -0.20 -1.95 0.60 0.00 0.56 0.00 0.00 36.38 35.38 1ock s VAL 227 CO 0.15 0.15 1.79 0.54 -0.31 0.00 0.00 175.10 177.42 1ock n ARG 228 N 4.58 1.49 -3.67 4.82 1.74 -1.26 -4.27 116.66 120.09 1ock n ARG 228 Ca -0.15 -0.72 -0.29 0.00 -0.77 0.00 0.00 57.85 55.92 1ock n ARG 228 Cb 0.45 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1ock n ARG 228 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ock n GLN 229 N -0.11 -1.16 -0.04 5.56 6.02 -1.26 -4.85 117.38 121.54 1ock n GLN 229 Ca 0.19 0.57 0.14 0.00 -0.01 0.00 0.00 57.00 57.89 1ock n GLN 229 Cb 0.28 -3.84 0.56 0.00 1.02 0.00 0.00 30.24 28.25 1ock n GLN 229 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ock h GLU 230 N -1.48 0.27 -0.04 -1.09 3.07 -1.93 -0.82 114.58 112.56 1ock h GLU 230 Ca -0.59 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.26 1ock h GLU 230 Cb 1.33 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1ock h GLU 230 CO 0.45 0.18 0.12 0.27 -1.40 0.00 0.00 179.01 178.63 1ock h PHE 231 N 0.28 0.00 -0.02 4.33 -0.00 -1.99 0.13 116.94 119.67 1ock h PHE 231 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.22 1ock h PHE 231 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.57 1ock h PHE 231 CO -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 178.31 178.30 1ock n ALA 232 N -2.12 2.57 0.00 12.09 0.00 -0.31 -5.06 120.51 127.67 1ock n ALA 232 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1ock n ALA 232 Cb 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1ock n ALA 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ock n GLY 233 N 1.22 -1.06 3.77 0.00 0.00 0.44 -4.94 105.19 104.62 1ock n GLY 233 Ca 0.18 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 1ock n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ock s ALA 234 N -2.09 2.60 0.51 4.61 0.00 -1.26 -4.77 121.76 121.35 1ock s ALA 234 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1ock s ALA 234 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1ock s ALA 234 CO 0.00 -0.98 0.70 0.54 0.00 0.00 0.00 175.76 176.02 1ock s VAL 235 N -1.97 2.79 0.54 0.00 0.11 -1.26 -5.08 120.40 115.53 1ock s VAL 235 Ca 0.71 -0.78 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 1ock s VAL 235 Cb -0.23 -3.01 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 1ock s VAL 235 CO 0.33 -0.00 1.06 -1.61 -3.33 0.00 0.00 175.10 171.55 1ock s GLU 236 N -4.62 3.53 0.28 1.54 2.02 0.47 -4.86 118.70 117.06 1ock s GLU 236 Ca 0.56 1.36 -0.07 0.00 0.02 0.00 0.00 54.97 56.85 1ock s GLU 236 Cb -0.10 -2.05 0.50 0.00 0.10 0.00 0.00 34.13 32.57 1ock s GLU 236 CO 0.37 -0.66 1.57 -1.35 0.02 0.00 0.00 175.26 175.21 1ock h PRO 237 N 1.09 0.00 -0.86 0.39 0.11 -1.98 -1.13 132.00 129.62 1ock h PRO 237 Ca -0.49 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1ock h PRO 237 Cb 1.23 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1ock h PRO 237 CO 0.58 0.00 0.56 0.00 -0.21 0.00 0.00 178.00 178.93 1ock h ALA 238 N 1.96 1.58 -0.44 -0.75 0.00 -1.92 0.64 119.26 120.33 1ock h ALA 238 Ca 0.49 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 1ock h ALA 238 Cb 0.80 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ock h ALA 238 CO -0.97 0.27 -0.24 0.00 0.00 0.00 0.00 179.25 178.31 1ock h ALA 239 N 1.54 0.63 -0.36 0.00 0.00 -1.43 -1.27 119.26 118.37 1ock h ALA 239 Ca 0.38 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ock h ALA 239 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ock h ALA 239 CO -0.14 0.63 -0.09 1.49 0.00 0.00 0.00 179.25 181.14 1ock h GLU 240 N 0.79 0.70 -0.70 0.00 4.57 -1.27 -0.74 114.58 117.92 1ock h GLU 240 Ca 0.10 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1ock h GLU 240 Cb 0.82 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 1ock h GLU 240 CO 0.07 0.86 0.46 1.96 -1.18 0.00 0.00 179.01 181.18 1ock h GLN 241 N 0.49 0.75 -0.20 1.92 4.20 -0.79 0.15 115.11 121.64 1ock h GLN 241 Ca 0.09 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 1ock h GLN 241 Cb 0.60 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ock h GLN 241 CO 0.04 0.50 -0.56 0.78 -0.67 0.00 0.00 178.83 178.92 1ock h GLY 242 N 0.77 0.81 0.92 3.46 0.00 -0.86 -2.30 103.07 105.87 1ock h GLY 242 Ca 0.29 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1ock h GLY 242 CO -0.09 0.91 0.09 -2.00 0.00 0.00 0.00 176.54 175.45 1ock h LEU 243 N 0.45 0.54 -1.03 3.11 5.85 -0.31 -0.89 115.31 123.03 1ock h LEU 243 Ca -0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1ock h LEU 243 Cb 1.17 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1ock h LEU 243 CO 0.12 0.63 0.65 1.56 -0.34 0.00 0.00 178.44 181.06 1ock h GLN 244 N 0.43 1.27 -0.35 1.25 4.20 -0.75 0.25 115.11 121.41 1ock h GLN 244 Ca 0.11 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 1ock h GLN 244 Cb 0.30 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ock h GLN 244 CO 0.00 0.84 -0.21 0.00 -0.67 0.00 0.00 178.83 178.79 1ock h ALA 245 N 1.40 0.97 -0.31 3.87 0.00 -1.13 -1.27 119.26 122.79 1ock h ALA 245 Ca 0.37 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ock h ALA 245 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ock h ALA 245 CO -0.09 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 1ock h ALA 246 N 1.17 0.43 -0.22 0.00 0.00 -0.43 -1.95 119.26 118.26 1ock h ALA 246 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ock h ALA 246 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ock h ALA 246 CO 0.05 0.29 0.12 0.82 0.00 0.00 0.00 179.25 180.53 1ock h ILE 247 N 0.38 1.11 -0.69 0.00 2.04 -0.78 -0.30 117.51 119.28 1ock h ILE 247 Ca 0.07 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1ock h ILE 247 Cb 0.61 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1ock h ILE 247 CO 0.04 0.11 0.37 0.50 0.00 0.00 0.00 178.15 179.17 1ock h LYS 248 N 0.25 0.96 -0.41 2.37 3.64 -1.22 0.15 116.57 122.31 1ock h LYS 248 Ca 0.08 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1ock h LYS 248 Cb 0.07 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1ock h LYS 248 CO -0.01 0.72 -0.18 0.00 -2.27 0.00 0.00 179.45 177.71 1ock h ALA 249 N 1.18 0.92 -0.11 5.00 0.00 -1.19 -1.11 119.26 123.94 1ock h ALA 249 Ca 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ock h ALA 249 Cb 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ock h ALA 249 CO -0.04 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.82 1ock h ALA 250 N 1.11 0.15 -0.69 0.00 0.00 -0.70 -1.80 119.26 117.34 1ock h ALA 250 Ca 0.10 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ock h ALA 250 Cb 0.68 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1ock h ALA 250 CO 0.05 -0.14 0.44 0.93 0.00 0.00 0.00 179.25 180.53 1ock h GLU 251 N -0.08 0.84 0.00 0.00 5.08 -0.86 -1.24 114.58 118.32 1ock h GLU 251 Ca 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1ock h GLU 251 Cb 0.39 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ock h GLU 251 CO 0.01 0.56 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.26 1ock h ARG 252 N 0.87 0.00 -0.05 2.33 2.43 -1.13 -2.15 114.38 116.68 1ock h ARG 252 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1ock h ARG 252 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1ock h ARG 252 CO -0.09 0.23 0.00 0.00 -1.51 0.00 0.00 179.97 178.60 1ock n ALA 253 N -2.39 2.59 0.00 2.80 0.00 -0.56 -4.90 120.51 118.05 1ock n ALA 253 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1ock n ALA 253 Cb 0.31 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ock n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ock n GLY 254 N 0.98 0.65 3.83 0.00 0.00 -0.81 -4.66 105.19 105.18 1ock n GLY 254 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ock n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ock s ALA 255 N -2.00 3.09 -0.36 4.61 0.00 -0.63 -4.36 121.76 122.11 1ock s ALA 255 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 1ock s ALA 255 Cb 0.00 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1ock s ALA 255 CO 0.00 0.11 0.25 -1.54 0.00 0.00 0.00 175.76 174.59 1ock s SER 256 N -2.32 6.04 -0.10 0.00 1.04 -0.82 -4.32 113.70 113.23 1ock s SER 256 Ca 0.60 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 1ock s SER 256 Cb -0.09 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 1ock s SER 256 CO 0.16 -0.31 -0.07 -0.69 0.98 0.00 0.00 173.24 173.31 1ock s VAL 257 N 1.70 3.64 -0.06 5.02 1.01 -1.26 -0.69 120.40 129.76 1ock s VAL 257 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ock s VAL 257 Cb -0.18 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1ock s VAL 257 CO 0.10 0.56 0.16 0.00 0.00 0.00 0.00 175.10 175.92 1ock s GLN 258 N -0.34 0.17 0.20 2.72 -2.07 -0.47 -5.00 119.66 114.87 1ock s GLN 258 Ca 0.05 0.26 -0.30 0.00 -1.82 0.00 0.00 55.36 53.55 1ock s GLN 258 Cb -0.12 0.04 -0.08 0.00 -1.09 0.00 0.00 33.01 31.75 1ock s GLN 258 CO 0.02 -0.05 1.14 0.00 -1.32 0.00 0.00 175.29 175.08 1ock s ALA 259 N 0.32 3.40 0.01 2.60 0.00 -1.26 -0.12 121.76 126.71 1ock s ALA 259 Ca -0.02 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1ock s ALA 259 Cb -0.03 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1ock s ALA 259 CO -0.01 -0.28 -0.05 0.42 0.00 0.00 0.00 175.76 175.84 1ock s ILE 260 N -0.32 0.41 -0.12 0.00 1.01 -0.09 -4.84 121.20 117.25 1ock s ILE 260 Ca 0.50 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1ock s ILE 260 Cb -0.31 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 1ock s ILE 260 CO 0.37 0.00 0.22 -1.81 0.00 0.00 0.00 174.94 173.72 1ock s ASP 261 N -0.42 6.43 0.42 3.58 1.01 -1.26 -4.45 116.67 121.98 1ock s ASP 261 Ca -0.01 0.51 -0.18 0.00 0.71 0.00 0.00 52.55 53.59 1ock s ASP 261 Cb -0.04 -2.13 -0.09 0.00 1.01 0.00 0.00 42.92 41.67 1ock s ASP 261 CO -0.00 0.28 0.90 -0.76 0.21 0.00 0.00 175.17 175.80 1ock s LEU 262 N -0.44 3.88 0.80 1.23 1.43 -1.26 -5.02 118.68 119.31 1ock s LEU 262 Ca 0.15 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 1ock s LEU 262 Cb -0.13 -4.39 0.04 0.00 0.03 0.00 0.00 46.19 41.74 1ock s LEU 262 CO 0.04 -0.38 0.90 -2.65 0.23 0.00 0.00 176.35 174.49 1ock n PRO 263 N -0.86 0.18 -0.30 1.29 -0.02 -1.26 -4.82 135.00 129.22 1ock n PRO 263 Ca 0.06 0.12 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1ock n PRO 263 Cb 0.54 -2.18 0.24 0.00 -0.02 0.00 0.00 33.50 32.07 1ock n PRO 263 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ock h GLU 264 N -0.79 1.01 -0.95 -0.52 4.57 -2.00 -1.69 114.58 114.21 1ock h GLU 264 Ca -0.46 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.74 1ock h GLU 264 Cb 1.31 -0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 29.61 1ock h GLU 264 CO 0.44 0.67 0.61 0.00 -1.18 0.00 0.00 179.01 179.54 1ock h ALA 265 N 1.50 1.51 -0.48 2.92 0.00 -1.95 -1.31 119.26 121.46 1ock h ALA 265 Ca 0.38 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1ock h ALA 265 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ock h ALA 265 CO -0.14 0.32 -0.15 0.28 0.00 0.00 0.00 179.25 179.57 1ock h VAL 266 N 1.03 1.27 -0.83 0.00 2.07 -1.58 -1.65 116.25 116.56 1ock h VAL 266 Ca 0.42 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ock h VAL 266 Cb 0.29 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1ock h VAL 266 CO -0.18 0.44 0.47 0.45 0.02 0.00 0.00 177.57 178.77 1ock h HIS 267 N 0.81 1.12 -0.74 1.57 -0.00 -1.05 -1.59 115.15 115.28 1ock h HIS 267 Ca 0.12 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1ock h HIS 267 Cb 0.68 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.70 1ock h HIS 267 CO 0.04 0.77 0.33 0.93 -0.00 0.00 0.00 177.93 180.01 1ock h GLU 268 N 1.15 1.07 -0.76 2.45 4.39 -0.95 -1.62 114.58 120.32 1ock h GLU 268 Ca 0.29 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1ock h GLU 268 Cb 0.01 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 1ock h GLU 268 CO -0.05 0.84 0.36 0.00 -1.16 0.00 0.00 179.01 179.00 1ock h ALA 269 N 1.30 0.98 -0.75 3.43 0.00 -0.40 -2.00 119.26 121.81 1ock h ALA 269 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ock h ALA 269 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ock h ALA 269 CO -0.03 0.55 0.36 2.35 0.00 0.00 0.00 179.25 182.49 1ock h TRP 270 N 1.07 1.09 -0.79 0.00 7.01 -0.82 -2.52 115.95 120.99 1ock h TRP 270 Ca 0.26 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1ock h TRP 270 Cb 0.13 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 1ock h TRP 270 CO 0.01 0.80 0.41 -0.09 -2.79 0.00 0.00 178.44 176.78 1ock h ARG 271 N 1.06 1.12 -0.10 2.65 2.43 -0.62 -3.05 114.38 117.87 1ock h ARG 271 Ca 0.26 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ock h ARG 271 Cb 0.12 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1ock h ARG 271 CO -0.03 0.84 0.00 0.44 -1.51 0.00 0.00 179.97 179.70 1ock n ILE 272 N -4.33 0.12 -0.22 1.20 -6.64 -0.83 -4.28 119.36 104.38 1ock n ILE 272 Ca 0.08 -0.38 0.02 0.00 -1.77 0.00 0.00 62.75 60.70 1ock n ILE 272 Cb 0.12 0.71 0.14 0.00 -1.44 0.00 0.00 39.64 39.17 1ock n ILE 272 CO 0.00 0.00 0.00 -0.74 -1.77 0.00 0.00 176.55 174.04 1ock h HIS 273 N 3.02 0.33 -0.64 4.28 2.76 -1.34 -0.45 115.15 123.11 1ock h HIS 273 Ca 0.00 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1ock h HIS 273 Cb 0.65 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 1ock h HIS 273 CO 0.06 0.01 0.43 -1.35 -1.30 0.00 0.00 177.93 175.78 1ock h PRO 274 N 0.34 0.66 0.08 5.26 0.11 -1.81 0.07 132.00 136.72 1ock h PRO 274 Ca 0.35 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 1ock h PRO 274 Cb 0.52 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1ock h PRO 274 CO -0.40 0.44 -0.04 0.82 -0.21 0.00 0.00 178.00 178.62 1ock h ILE 275 N 0.68 1.06 0.00 4.15 1.08 -1.37 0.46 117.51 123.57 1ock h ILE 275 Ca 0.27 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ock h ILE 275 Cb 0.21 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1ock h ILE 275 CO -0.08 0.12 -0.00 0.40 -0.69 0.00 0.00 178.15 177.90 1ock h ILE 276 N -0.32 1.03 0.37 -0.67 2.04 -1.07 -1.81 117.51 117.07 1ock h ILE 276 Ca -0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ock h ILE 276 Cb 0.28 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1ock h ILE 276 CO 0.02 0.02 -0.29 -0.61 0.00 0.00 0.00 178.15 177.30 1ock h GLN 277 N -0.04 -0.63 -0.09 2.37 4.15 -0.94 -2.31 115.11 117.62 1ock h GLN 277 Ca -0.00 0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.37 1ock h GLN 277 Cb 0.04 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1ock h GLN 277 CO 0.00 -0.42 -0.39 -0.44 -1.93 0.00 0.00 178.83 175.65 1ock h ASP 278 N -0.65 0.19 -0.16 -0.69 3.32 -0.93 -0.73 116.42 116.76 1ock h ASP 278 Ca -0.03 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1ock h ASP 278 Cb 0.57 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ock h ASP 278 CO -0.01 0.56 -0.08 0.15 -1.72 0.00 0.00 179.24 178.15 1ock h PHE 279 N 0.15 0.39 -0.29 4.55 3.57 -1.30 -2.88 116.94 121.14 1ock h PHE 279 Ca 0.02 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 1ock h PHE 279 Cb 0.76 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1ock h PHE 279 CO 0.01 0.65 -0.24 0.93 -2.23 0.00 0.00 178.31 177.43 1ock h GLU 280 N 0.02 0.55 -0.88 1.11 5.08 -1.32 -2.85 114.58 116.29 1ock h GLU 280 Ca 0.04 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1ock h GLU 280 Cb 0.55 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1ock h GLU 280 CO 0.02 0.76 0.58 0.00 -1.00 0.00 0.00 179.01 179.37 1ock h ALA 281 N 1.25 1.42 -0.22 3.43 0.00 -0.92 0.49 119.26 124.71 1ock h ALA 281 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ock h ALA 281 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ock h ALA 281 CO 0.05 0.52 -0.07 0.45 0.00 0.00 0.00 179.25 180.20 1ock h HIS 282 N 1.14 0.35 0.22 0.00 3.86 -1.28 0.17 115.15 119.59 1ock h HIS 282 Ca 0.34 -0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 59.20 1ock h HIS 282 Cb -0.05 -0.10 0.03 0.00 1.06 0.00 0.00 27.41 28.35 1ock h HIS 282 CO -0.00 0.41 -1.41 0.00 0.86 0.00 0.00 177.93 177.79 1ock h ARG 283 N 0.32 0.46 -0.06 2.45 2.47 -1.05 -2.86 114.38 116.10 1ock h ARG 283 Ca 0.07 -0.78 -0.09 0.00 -1.26 0.00 0.00 59.98 57.92 1ock h ARG 283 Cb 0.33 0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 1ock h ARG 283 CO 0.02 1.37 -0.36 0.00 0.56 0.00 0.00 179.97 181.56 1ock h ALA 284 N 0.12 1.29 -0.40 0.04 0.00 0.15 -2.93 119.26 117.52 1ock h ALA 284 Ca -0.26 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.09 1ock h ALA 284 Cb 2.04 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 19.63 1ock h ALA 284 CO 0.22 0.50 -0.05 1.28 0.00 0.00 0.00 179.25 181.21 1ock n LEU 285 N -4.09 4.34 -0.13 0.00 4.77 0.56 -4.77 117.00 117.68 1ock n LEU 285 Ca -0.02 -3.82 -0.07 0.00 -0.03 0.00 0.00 56.01 52.08 1ock n LEU 285 Cb 0.42 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1ock n LEU 285 CO 0.40 1.29 1.01 0.00 -1.33 0.00 0.00 177.39 178.75 1ock h ALA 286 N 1.03 0.51 -0.20 -1.18 0.00 -1.31 -1.32 119.26 116.80 1ock h ALA 286 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ock h ALA 286 Cb 1.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1ock h ALA 286 CO 0.45 -0.12 0.12 2.35 0.00 0.00 0.00 179.25 182.05 1ock h TRP 287 N 0.45 0.22 -0.36 0.00 7.01 -1.86 -0.32 115.95 121.09 1ock h TRP 287 Ca 0.17 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 1ock h TRP 287 Cb 0.05 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 1ock h TRP 287 CO -0.09 0.14 0.21 0.93 -2.79 0.00 0.00 178.44 176.84 1ock h GLU 288 N 0.25 0.41 -0.39 2.65 3.07 -1.88 0.39 114.58 119.08 1ock h GLU 288 Ca 0.08 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 1ock h GLU 288 Cb -0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1ock h GLU 288 CO -0.03 0.27 -0.22 0.35 -1.40 0.00 0.00 179.01 177.98 1ock h PHE 289 N 0.42 0.88 0.14 4.33 3.57 -1.06 0.10 116.94 125.33 1ock h PHE 289 Ca 0.15 -0.20 -0.30 0.00 3.53 0.00 0.00 57.97 61.15 1ock h PHE 289 Cb 0.02 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 38.57 1ock h PHE 289 CO -0.08 0.92 -1.27 0.77 -2.23 0.00 0.00 178.31 176.42 1ock h SER 290 N 0.68 0.72 0.00 0.41 0.02 -0.90 -3.28 113.55 111.20 1ock h SER 290 Ca 0.09 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1ock h SER 290 Cb 0.73 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ock h SER 290 CO 0.06 1.53 -1.62 -0.62 -1.14 0.00 0.00 176.83 175.04 1ock n GLU 291 N -3.70 0.58 -2.75 3.45 -0.58 0.11 -4.66 120.64 113.09 1ock n GLU 291 Ca -0.12 -0.13 -0.03 0.00 -0.42 0.00 0.00 57.16 56.46 1ock n GLU 291 Cb 1.01 -1.35 0.05 0.00 -0.57 0.00 0.00 31.44 30.58 1ock n GLU 291 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1ock n HIS 292 N -1.98 1.41 -0.11 -0.32 8.25 0.32 -4.97 115.22 117.83 1ock n HIS 292 Ca -0.02 -2.19 -0.08 0.00 -0.26 0.00 0.00 57.72 55.17 1ock n HIS 292 Cb 0.38 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 1ock n HIS 292 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1ock h HIS 293 N 2.59 -0.98 0.00 4.41 6.17 -1.52 -0.95 115.15 124.87 1ock h HIS 293 Ca -0.09 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1ock h HIS 293 Cb 1.29 0.48 0.00 0.00 2.52 0.00 0.00 27.41 31.70 1ock h HIS 293 CO 0.54 -0.40 0.00 -0.25 0.71 0.00 0.00 177.93 178.53 1ock n ASP 294 N -5.42 0.00 -0.13 3.26 8.00 -1.26 -2.36 116.55 118.64 1ock n ASP 294 Ca 0.00 0.35 0.12 0.00 0.71 0.00 0.00 54.79 55.98 1ock n ASP 294 Cb 0.34 -0.43 0.32 0.00 -0.02 0.00 0.00 41.12 41.33 1ock n ASP 294 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ock n GLU 295 N -1.43 0.45 -2.63 -1.24 1.02 -0.37 -4.87 120.64 111.57 1ock n GLU 295 Ca 0.06 -0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.52 1ock n GLU 295 Cb 0.18 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 1ock n GLU 295 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ock s ILE 296 N -2.73 4.31 0.30 -3.67 1.01 -0.99 -4.64 121.20 114.78 1ock s ILE 296 Ca 0.18 1.87 -0.27 0.00 0.00 0.00 0.00 60.65 62.44 1ock s ILE 296 Cb 0.18 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 38.31 1ock s ILE 296 CO 0.60 0.27 0.80 0.00 0.00 0.00 0.00 174.94 176.61 1ock n ALA 297 N 2.91 -1.08 -0.37 9.38 0.00 -1.26 -4.53 120.51 125.57 1ock n ALA 297 Ca 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.81 1ock n ALA 297 Cb 0.48 -1.88 0.03 0.00 0.00 0.00 0.00 19.45 18.08 1ock n ALA 297 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ock n PRO 298 N 0.73 -0.23 -0.12 0.00 -0.02 -1.26 -1.01 135.00 133.09 1ock n PRO 298 Ca 0.12 1.45 -0.11 0.00 -2.02 0.00 0.00 63.50 62.94 1ock n PRO 298 Cb 0.32 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1ock n PRO 298 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1ock h MET 299 N 0.00 0.66 -0.41 -0.52 2.86 -1.96 -0.94 114.93 114.62 1ock h MET 299 Ca 0.32 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1ock h MET 299 Cb 0.55 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1ock h MET 299 CO -0.93 0.82 -0.26 1.25 1.06 0.00 0.00 176.91 178.85 1ock h LEU 300 N 0.45 0.87 -0.91 1.22 5.85 -1.86 -1.10 115.31 119.83 1ock h LEU 300 Ca 0.09 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1ock h LEU 300 Cb 0.57 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1ock h LEU 300 CO 0.03 1.08 0.60 -0.09 -0.34 0.00 0.00 178.44 179.72 1ock h ARG 301 N 0.73 1.19 -0.24 1.25 2.43 -0.95 -0.40 114.38 118.39 1ock h ARG 301 Ca 0.09 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1ock h ARG 301 Cb 0.80 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1ock h ARG 301 CO 0.07 0.78 -0.01 0.00 -1.51 0.00 0.00 179.97 179.30 1ock h ALA 302 N 1.34 0.32 -0.72 2.80 0.00 -0.83 -0.50 119.26 121.66 1ock h ALA 302 Ca 0.34 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ock h ALA 302 Cb -0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ock h ALA 302 CO -0.08 0.06 0.19 0.66 0.00 0.00 0.00 179.25 180.09 1ock h SER 303 N 0.19 1.08 -0.25 0.00 4.64 -0.87 -1.05 113.55 117.28 1ock h SER 303 Ca 0.07 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1ock h SER 303 Cb 0.43 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1ock h SER 303 CO 0.01 1.02 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.90 1ock h LEU 304 N 1.09 0.45 -1.66 5.97 3.38 -1.03 -2.64 115.31 120.86 1ock h LEU 304 Ca 0.23 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ock h LEU 304 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ock h LEU 304 CO -0.00 0.68 0.30 0.44 0.09 0.00 0.00 178.44 179.95 1ock h ASP 305 N 0.21 0.38 0.82 -0.43 3.45 -0.84 -1.25 116.42 118.75 1ock h ASP 305 Ca 0.07 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1ock h ASP 305 Cb 0.46 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1ock h ASP 305 CO 0.02 0.26 -0.06 0.00 -1.57 0.00 0.00 179.24 177.89 1ock n ALA 306 N -2.50 2.51 -0.53 3.45 0.00 -0.42 -3.88 120.51 119.14 1ock n ALA 306 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1ock n ALA 306 Cb 0.20 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.26 1ock n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ock n THR 307 N -1.42 1.17 -0.13 0.00 -2.24 -0.51 -4.74 114.28 106.42 1ock n THR 307 Ca 0.09 -1.30 0.11 0.00 -2.27 0.00 0.00 64.05 60.68 1ock n THR 307 Cb 0.31 0.29 0.45 0.00 -2.10 0.00 0.00 70.33 69.29 1ock n THR 307 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ock h VAL 308 N 0.57 0.91 0.00 2.28 2.07 -1.58 -2.51 116.25 117.98 1ock h VAL 308 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ock h VAL 308 Cb 0.75 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ock h VAL 308 CO 0.00 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1ock n GLY 309 N -1.49 -1.46 3.64 2.17 0.00 -1.26 -4.86 105.19 101.93 1ock n GLY 309 Ca 0.11 0.05 -0.54 0.00 0.00 0.00 0.00 46.02 45.64 1ock n GLY 309 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ock n LEU 310 N -2.29 2.02 -4.92 0.99 4.77 -0.95 -4.92 117.00 111.70 1ock n LEU 310 Ca 0.03 1.10 -0.27 0.00 -0.03 0.00 0.00 56.01 56.84 1ock n LEU 310 Cb 0.31 -1.18 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 1ock n LEU 310 CO 0.24 -0.76 0.18 0.42 -1.33 0.00 0.00 177.39 176.14 1ock s THR 311 N 1.77 5.07 0.41 -5.08 -4.23 -1.26 -4.99 115.64 107.34 1ock s THR 311 Ca 0.90 -0.16 0.10 0.00 -1.18 0.00 0.00 61.69 61.34 1ock s THR 311 Cb -0.98 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 69.37 1ock s THR 311 CO 0.54 -0.39 2.01 -0.65 -0.54 0.00 0.00 174.62 175.59 1ock h PRO 312 N 1.39 0.51 0.05 3.99 0.11 -1.99 -1.49 132.00 134.59 1ock h PRO 312 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ock h PRO 312 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ock h PRO 312 CO 0.65 0.34 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.53 1ock h LYS 313 N 0.53 -0.07 0.00 1.05 3.64 -1.99 0.06 116.57 119.79 1ock h LYS 313 Ca 0.23 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1ock h LYS 313 Cb 0.25 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1ock h LYS 313 CO -0.06 0.19 -0.40 1.05 -2.27 0.00 0.00 179.45 177.95 1ock h GLU 314 N -0.32 0.00 -0.11 1.90 4.11 -1.90 -1.84 114.58 116.42 1ock h GLU 314 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ock h GLU 314 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ock h GLU 314 CO 0.01 0.40 0.00 -0.92 0.07 0.00 0.00 179.01 178.57 1ock h TYR 315 N 0.00 0.21 -0.87 2.06 3.20 -1.13 -0.71 116.97 119.73 1ock h TYR 315 Ca -0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ock h TYR 315 Cb 0.74 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1ock h TYR 315 CO 0.00 0.43 0.51 -0.44 -1.64 0.00 0.00 178.16 177.02 1ock h ASP 316 N -0.07 1.06 -0.74 -2.11 3.32 -0.74 -1.17 116.42 115.98 1ock h ASP 316 Ca 0.03 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1ock h ASP 316 Cb 0.35 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1ock h ASP 316 CO 0.01 0.83 0.32 -0.08 -1.72 0.00 0.00 179.24 178.59 1ock h GLU 317 N 1.20 1.09 -0.75 3.56 4.57 -1.22 -1.73 114.58 121.31 1ock h GLU 317 Ca 0.31 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1ock h GLU 317 Cb -0.03 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 1ock h GLU 317 CO -0.06 0.88 0.48 0.00 -1.18 0.00 0.00 179.01 179.13 1ock h ALA 318 N 1.16 0.95 -0.81 2.92 0.00 -0.37 -1.28 119.26 121.82 1ock h ALA 318 Ca 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ock h ALA 318 Cb 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1ock h ALA 318 CO -0.02 0.38 0.36 0.00 0.00 0.00 0.00 179.25 179.97 1ock h ARG 319 N 1.02 1.18 -0.32 0.00 3.08 -0.77 0.51 114.38 119.09 1ock h ARG 319 Ca 0.27 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ock h ARG 319 Cb -0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 1ock h ARG 319 CO -0.06 0.93 0.21 -0.09 -1.07 0.00 0.00 179.97 179.89 1ock h ARG 320 N 1.16 0.42 -0.87 0.04 2.43 -0.67 0.02 114.38 116.91 1ock h ARG 320 Ca 0.28 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1ock h ARG 320 Cb 0.15 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1ock h ARG 320 CO -0.03 0.28 0.53 0.82 -1.51 0.00 0.00 179.97 180.06 1ock h ILE 321 N 0.42 1.24 -0.39 1.20 2.04 -0.82 -1.84 117.51 119.37 1ock h ILE 321 Ca 0.12 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1ock h ILE 321 Cb -0.04 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1ock h ILE 321 CO -0.02 0.25 0.23 1.23 0.00 0.00 0.00 178.15 179.84 1ock h GLY 322 N 1.20 0.56 1.22 5.37 0.00 -0.15 -1.47 103.07 109.80 1ock h GLY 322 Ca 0.31 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1ock h GLY 322 CO -0.06 0.23 0.25 3.21 0.00 0.00 0.00 176.54 180.17 1ock h ARG 323 N 0.51 0.99 -0.39 4.80 3.08 -0.60 -2.08 114.38 120.69 1ock h ARG 323 Ca 0.14 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1ock h ARG 323 Cb 0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1ock h ARG 323 CO -0.03 0.82 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.42 1ock h ARG 324 N 0.97 0.75 -0.47 0.04 2.43 -1.13 -2.59 114.38 114.38 1ock h ARG 324 Ca 0.22 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1ock h ARG 324 Cb 0.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1ock h ARG 324 CO -0.02 0.88 0.31 0.78 -1.51 0.00 0.00 179.97 180.41 1ock h GLY 325 N 0.97 0.67 0.98 2.80 0.00 -0.72 -1.88 103.07 105.88 1ock h GLY 325 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1ock h GLY 325 CO 0.05 0.25 0.57 3.21 0.00 0.00 0.00 176.54 180.62 1ock h ARG 326 N 0.64 1.11 0.48 4.80 3.08 -1.19 0.05 114.38 123.35 1ock h ARG 326 Ca 0.17 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1ock h ARG 326 Cb -0.06 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.74 1ock h ARG 326 CO -0.04 0.73 -0.23 0.00 -1.07 0.00 0.00 179.97 179.37 1ock h ARG 327 N 1.14 -0.62 0.00 0.04 3.08 -1.06 -2.56 114.38 114.41 1ock h ARG 327 Ca 0.32 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 1ock h ARG 327 Cb -0.10 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ock h ARG 327 CO -0.08 -0.39 -0.18 0.93 -1.07 0.00 0.00 179.97 179.19 1ock h GLU 328 N -0.69 0.00 -0.26 0.04 5.08 -1.22 -2.13 114.58 115.40 1ock h GLU 328 Ca -0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1ock h GLU 328 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ock h GLU 328 CO 0.11 0.18 -0.28 1.25 -1.00 0.00 0.00 179.01 179.27 1ock h LEU 329 N 0.00 0.51 -1.51 1.33 5.85 -0.80 -2.60 115.31 118.09 1ock h LEU 329 Ca -0.00 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1ock h LEU 329 Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1ock h LEU 329 CO 0.02 0.77 0.34 1.23 -0.34 0.00 0.00 178.44 180.47 1ock h GLY 330 N 1.03 0.71 1.91 3.75 0.00 -0.97 -1.30 103.07 108.20 1ock h GLY 330 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1ock h GLY 330 CO 0.05 0.25 -0.09 0.83 0.00 0.00 0.00 176.54 177.59 1ock h GLU 331 N 0.67 0.12 -0.32 4.80 5.08 -1.48 -2.10 114.58 121.35 1ock h GLU 331 Ca 0.19 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1ock h GLU 331 Cb -0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1ock h GLU 331 CO -0.04 0.21 -0.02 0.28 -1.00 0.00 0.00 179.01 178.44 1ock h VAL 332 N 0.11 1.20 -0.01 3.13 2.07 -1.25 -2.47 116.25 119.03 1ock h VAL 332 Ca 0.03 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ock h VAL 332 Cb 0.23 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ock h VAL 332 CO 0.01 0.27 0.00 0.49 0.02 0.00 0.00 177.57 178.36 1ock n PHE 333 N -4.28 0.02 0.06 1.57 3.01 -0.79 -3.10 117.46 113.96 1ock n PHE 333 Ca 0.01 -0.01 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1ock n PHE 333 Cb 0.25 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.62 1ock n PHE 333 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ock h GLU 334 N 0.08 0.00 -0.27 -1.08 5.08 -1.53 -3.35 114.58 113.51 1ock h GLU 334 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ock h GLU 334 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ock h GLU 334 CO 0.00 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 179.01 1ock n GLY 335 N 1.36 2.98 3.32 -3.84 0.00 -1.18 -5.01 105.19 102.82 1ock n GLY 335 Ca -0.05 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1ock n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ock s VAL 336 N -1.21 0.03 -0.01 1.61 1.01 -1.25 -5.00 120.40 115.57 1ock s VAL 336 Ca 0.21 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1ock s VAL 336 Cb 0.12 -0.69 -0.32 0.00 0.00 0.00 0.00 36.38 35.49 1ock s VAL 336 CO 0.12 -0.13 0.95 0.44 0.00 0.00 0.00 175.10 176.49 1ock h ASP 337 N 4.20 0.62 -5.19 3.32 3.32 -1.37 -3.42 116.42 117.90 1ock h ASP 337 Ca -0.28 -0.92 -0.09 0.00 0.02 0.00 0.00 57.03 55.75 1ock h ASP 337 Cb 1.17 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 1ock h ASP 337 CO 0.34 1.49 -0.38 0.68 -1.72 0.00 0.00 179.24 179.65 1ock s VAL 338 N -2.57 0.13 -0.01 -1.35 -7.23 -1.02 -4.46 120.40 103.88 1ock s VAL 338 Ca -0.12 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1ock s VAL 338 Cb 0.02 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1ock s VAL 338 CO 0.87 -0.59 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.29 1ock s LEU 339 N -2.89 3.38 -0.10 1.32 1.43 0.18 -1.23 118.68 120.77 1ock s LEU 339 Ca 0.08 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1ock s LEU 339 Cb 0.05 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1ock s LEU 339 CO -0.08 0.29 -0.20 -0.22 0.23 0.00 0.00 176.35 176.37 1ock s LEU 340 N -1.41 1.95 0.00 1.79 2.96 -0.59 -0.42 118.68 122.95 1ock s LEU 340 Ca 0.18 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1ock s LEU 340 Cb -0.11 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1ock s LEU 340 CO 0.08 0.11 0.03 1.07 -1.32 0.00 0.00 176.35 176.32 1ock n THR 341 N 3.70 0.00 -2.61 3.68 5.66 -0.54 -0.72 114.28 123.46 1ock n THR 341 Ca -0.20 -0.08 -0.33 0.00 -3.05 0.00 0.00 64.05 60.39 1ock n THR 341 Cb 0.52 0.05 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 1ock n THR 341 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1ock s TYR 342 N -5.85 3.28 -0.10 1.09 1.51 -1.26 -0.73 117.35 115.28 1ock s TYR 342 Ca 0.01 1.56 0.20 0.00 -1.01 0.00 0.00 57.07 57.84 1ock s TYR 342 Cb -0.00 -2.88 -0.26 0.00 -0.11 0.00 0.00 41.96 38.71 1ock s TYR 342 CO 0.01 -0.37 0.48 0.43 -1.11 0.00 0.00 175.55 174.99 1ock n SER 343 N -1.05 0.20 -3.78 2.29 7.64 -1.24 -4.34 113.62 113.33 1ock n SER 343 Ca 0.07 0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.97 1ock n SER 343 Cb 0.54 1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 65.08 1ock n SER 343 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ock s ALA 344 N -3.18 -1.24 0.39 -0.43 0.00 -1.26 -4.11 121.76 111.94 1ock s ALA 344 Ca -0.07 -0.29 0.27 0.00 0.00 0.00 0.00 51.96 51.87 1ock s ALA 344 Cb 0.11 0.81 1.41 0.00 0.00 0.00 0.00 23.12 25.46 1ock s ALA 344 CO 0.87 -1.04 2.05 -1.35 0.00 0.00 0.00 175.76 176.29 1ock h PRO 345 N 2.00 0.00 0.00 0.00 0.11 -1.96 -3.46 132.00 128.68 1ock h PRO 345 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1ock h PRO 345 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ock h PRO 345 CO 0.25 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.57 1ock n GLY 346 N -0.63 -0.70 3.77 -0.55 0.00 -1.26 -0.39 105.19 105.43 1ock n GLY 346 Ca -0.02 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1ock n GLY 346 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ock s THR 347 N -3.97 3.19 0.22 2.61 -4.23 -1.26 -4.86 115.64 107.34 1ock s THR 347 Ca 0.00 0.39 -0.32 0.00 -1.18 0.00 0.00 61.69 60.58 1ock s THR 347 Cb 0.00 -2.99 -0.13 0.00 1.34 0.00 0.00 72.50 70.72 1ock s THR 347 CO 0.00 -0.50 1.56 0.00 -0.54 0.00 0.00 174.62 175.14 1ock n ALA 348 N -3.53 1.83 -1.39 3.99 0.00 -1.26 -4.95 120.51 115.20 1ock n ALA 348 Ca 0.08 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.58 1ock n ALA 348 Cb 0.55 -2.39 0.10 0.00 0.00 0.00 0.00 19.45 17.71 1ock n ALA 348 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ock s PRO 349 N 0.32 2.07 0.40 0.00 0.02 -1.26 -4.67 135.00 131.88 1ock s PRO 349 Ca 0.72 1.88 -0.25 0.00 0.02 0.00 0.00 61.00 63.37 1ock s PRO 349 Cb -0.60 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.03 1ock s PRO 349 CO 0.42 -1.92 1.15 0.00 -0.33 0.00 0.00 177.00 176.32 1ock s ALA 350 N -1.82 3.14 0.55 -1.55 0.00 -1.26 -0.74 121.76 120.07 1ock s ALA 350 Ca 0.77 0.93 0.26 0.00 0.00 0.00 0.00 51.96 53.92 1ock s ALA 350 Cb -0.32 -3.37 1.46 0.00 0.00 0.00 0.00 23.12 20.89 1ock s ALA 350 CO 0.45 -0.50 2.03 0.87 0.00 0.00 0.00 175.76 178.61 1ock h LYS 351 N 2.59 0.00 -0.34 0.00 1.79 -1.43 -1.61 116.57 117.58 1ock h LYS 351 Ca -0.49 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.05 1ock h LYS 351 Cb 1.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 1ock h LYS 351 CO 0.62 0.00 0.23 0.00 -1.08 0.00 0.00 179.45 179.23 1ock h ALA 352 N 1.74 2.14 0.00 3.86 0.00 -1.90 -1.28 119.26 123.81 1ock h ALA 352 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ock h ALA 352 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ock h ALA 352 CO -0.00 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1ock n LEU 353 N -4.47 0.00 -3.87 0.00 4.77 -0.61 -4.90 117.00 107.93 1ock n LEU 353 Ca 0.04 0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 56.23 1ock n LEU 353 Cb 0.31 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1ock n LEU 353 CO 0.35 -0.19 -0.12 0.00 -1.33 0.00 0.00 177.39 176.10 1ock n ALA 354 N -1.46 -1.88 -3.11 -1.18 0.00 -0.48 -4.98 120.51 107.42 1ock n ALA 354 Ca 0.05 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1ock n ALA 354 Cb 0.19 -2.13 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 1ock n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ock s SER 355 N -4.18 -0.13 0.00 0.00 0.15 -1.26 -4.81 113.70 103.48 1ock s SER 355 Ca 0.12 0.25 0.20 0.00 0.70 0.00 0.00 55.95 57.23 1ock s SER 355 Cb -0.06 0.24 0.64 0.00 -1.71 0.00 0.00 66.02 65.13 1ock s SER 355 CO 0.85 -0.06 1.49 0.35 1.20 0.00 0.00 173.24 177.08 1ock n THR 356 N 3.18 0.29 0.00 6.45 -2.24 -1.26 -4.75 114.28 115.95 1ock n THR 356 Ca -0.14 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1ock n THR 356 Cb 0.58 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1ock n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ock n GLY 357 N 1.19 2.33 3.69 3.38 0.00 -1.26 -3.71 105.19 110.81 1ock n GLY 357 Ca 0.16 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1ock n GLY 357 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ock s ASP 358 N 0.00 7.24 0.00 1.61 3.68 -1.26 -4.94 116.67 123.00 1ock s ASP 358 Ca 0.00 1.56 0.12 0.00 2.13 0.00 0.00 52.55 56.36 1ock s ASP 358 Cb 0.00 -2.56 0.57 0.00 -1.45 0.00 0.00 42.92 39.49 1ock s ASP 358 CO 0.00 -0.44 1.39 -2.65 0.13 0.00 0.00 175.17 173.60 1ock n PRO 359 N 4.95 1.27 0.07 4.34 -0.02 -1.26 -4.48 135.00 139.87 1ock n PRO 359 Ca 0.09 -0.41 0.21 0.00 -2.02 0.00 0.00 63.50 61.37 1ock n PRO 359 Cb 0.49 -1.22 0.73 0.00 -0.02 0.00 0.00 33.50 33.48 1ock n PRO 359 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1ock h ARG 360 N 0.74 0.00 -0.07 -0.52 0.11 -1.96 0.16 114.38 112.84 1ock h ARG 360 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ock h ARG 360 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1ock h ARG 360 CO 0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1ock n TYR 361 N -3.68 0.06 -0.05 4.08 4.02 -1.26 -4.35 117.16 115.98 1ock n TYR 361 Ca 0.08 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.90 57.87 1ock n TYR 361 Cb 0.68 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.95 1ock n TYR 361 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1ock n ASN 362 N 0.80 3.02 -0.30 7.72 3.02 0.49 -4.82 115.26 125.20 1ock n ASN 362 Ca 0.17 -0.05 0.07 0.00 -0.03 0.00 0.00 54.58 54.74 1ock n ASN 362 Cb 0.48 0.04 0.23 0.00 -0.61 0.00 0.00 39.78 39.92 1ock n ASN 362 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1ock h ARG 363 N 0.00 0.59 -0.53 3.52 0.11 -1.09 -2.61 114.38 114.36 1ock h ARG 363 Ca -0.25 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 59.86 1ock h ARG 363 Cb 1.44 -0.13 -0.06 0.00 1.11 0.00 0.00 29.97 32.33 1ock h ARG 363 CO -0.03 0.39 0.21 1.25 0.10 0.00 0.00 179.97 181.89 1ock h LEU 364 N 0.60 0.24 -1.71 0.08 5.85 -1.87 -2.31 115.31 116.20 1ock h LEU 364 Ca 0.47 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.21 1ock h LEU 364 Cb 0.68 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1ock h LEU 364 CO -0.37 0.16 -0.18 -0.50 -0.34 0.00 0.00 178.44 177.21 1ock h TRP 365 N 0.41 0.00 -0.14 1.25 4.06 -1.80 -0.02 115.95 119.69 1ock h TRP 365 Ca 0.25 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 61.02 1ock h TRP 365 Cb 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1ock h TRP 365 CO -0.15 0.18 -0.66 1.15 -3.56 0.00 0.00 178.44 175.40 1ock h THR 366 N 0.00 1.33 -0.14 1.49 2.02 -1.40 -0.58 112.91 115.63 1ock h THR 366 Ca -0.00 -1.95 -0.21 0.00 0.77 0.00 0.00 66.41 65.01 1ock h THR 366 Cb 0.38 1.93 0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1ock h THR 366 CO 0.02 0.60 -0.74 0.25 0.37 0.00 0.00 175.52 176.03 1ock h LEU 367 N 0.40 0.90 -1.05 2.58 5.85 -1.12 -3.06 115.31 119.81 1ock h LEU 367 Ca -0.02 -0.63 -0.09 0.00 0.84 0.00 0.00 57.88 57.98 1ock h LEU 367 Cb 1.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ock h LEU 367 CO 0.12 1.39 -0.25 0.24 -0.34 0.00 0.00 178.44 179.60 1ock h MET 368 N 0.47 0.37 0.00 1.25 2.86 -1.01 -3.47 114.93 115.41 1ock h MET 368 Ca -0.05 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1ock h MET 368 Cb 1.37 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1ock h MET 368 CO 0.15 0.60 0.00 0.41 1.06 0.00 0.00 176.91 179.13 1ock n GLY 369 N -0.46 0.80 3.66 8.32 0.00 -0.23 -4.96 105.19 112.31 1ock n GLY 369 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ock n GLY 369 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ock n ASN 370 N 0.00 0.92 -4.72 1.61 4.13 -1.21 -1.01 115.26 114.99 1ock n ASN 370 Ca 0.00 0.67 -0.42 0.00 1.68 0.00 0.00 54.58 56.51 1ock n ASN 370 Cb 0.00 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 36.74 1ock n ASN 370 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ock s PRO 371 N -3.57 4.50 -0.04 3.52 0.04 -1.26 -4.58 135.00 133.61 1ock s PRO 371 Ca 0.75 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.50 1ock s PRO 371 Cb -0.33 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 1ock s PRO 371 CO 0.49 -0.14 -0.21 0.00 0.04 0.00 0.00 177.00 177.18 1ock s VAL 373 N -0.21 1.17 0.02 0.00 1.01 -0.07 -0.75 120.40 121.58 1ock s VAL 373 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1ock s VAL 373 Cb -0.11 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 1ock s VAL 373 CO 0.02 0.36 0.58 0.21 0.00 0.00 0.00 175.10 176.26 1ock s ASN 374 N 0.43 7.00 -0.20 3.32 2.47 0.11 -0.99 114.94 127.08 1ock s ASN 374 Ca -0.10 1.19 0.01 0.00 0.42 0.00 0.00 52.86 54.37 1ock s ASN 374 Cb -0.14 -2.36 0.04 0.00 -1.45 0.00 0.00 41.25 37.35 1ock s ASN 374 CO 0.03 0.17 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.77 1ock s VAL 375 N -0.54 1.76 0.22 -5.21 1.01 0.02 -3.67 120.40 113.99 1ock s VAL 375 Ca 0.30 -1.06 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 1ock s VAL 375 Cb -0.19 -1.79 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 1ock s VAL 375 CO 0.18 0.22 1.57 -2.84 0.00 0.00 0.00 175.10 174.22 1ock s PRO 376 N 1.35 4.19 -0.06 2.72 0.02 -1.26 -1.47 135.00 140.49 1ock s PRO 376 Ca -0.01 2.43 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 1ock s PRO 376 Cb -0.16 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1ock s PRO 376 CO -0.09 -0.59 -0.18 0.28 -0.33 0.00 0.00 177.00 176.09 1ock n VAL 377 N 3.25 1.26 -3.41 3.83 0.31 -0.13 -4.91 118.33 118.53 1ock n VAL 377 Ca 0.11 0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1ock n VAL 377 Cb 0.38 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1ock n VAL 377 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ock n LEU 378 N -3.92 0.00 -4.00 7.52 -0.00 -1.09 -5.02 117.00 110.48 1ock n LEU 378 Ca -0.11 -1.03 -0.18 0.00 -0.00 0.00 0.00 56.01 54.68 1ock n LEU 378 Cb 0.34 1.38 -0.15 0.00 -0.00 0.00 0.00 43.42 44.99 1ock n LEU 378 CO 0.09 -0.32 -0.43 -0.54 -0.00 0.00 0.00 177.39 176.20 1ock s LYS 379 N -2.10 0.69 -0.15 1.47 1.02 -1.26 -0.54 119.74 118.86 1ock s LYS 379 Ca 0.07 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1ock s LYS 379 Cb -0.02 -0.66 0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1ock s LYS 379 CO 0.05 0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.53 1ock s VAL 380 N -0.11 1.90 -1.58 3.17 1.01 -0.28 -4.58 120.40 119.93 1ock s VAL 380 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1ock s VAL 380 Cb -0.04 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1ock s VAL 380 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1ock n GLY 381 N 4.37 0.70 2.28 4.51 0.00 -1.26 -1.49 105.19 114.31 1ock n GLY 381 Ca -0.20 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1ock n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ock n GLY 382 N -0.98 1.25 3.69 -0.02 0.00 -1.26 -5.03 105.19 102.83 1ock n GLY 382 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1ock n GLY 382 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ock s LEU 383 N 0.00 4.00 0.61 0.99 2.01 -0.56 -4.81 118.68 120.92 1ock s LEU 383 Ca 0.00 0.17 -0.19 0.00 0.01 0.00 0.00 54.13 54.12 1ock s LEU 383 Cb 0.00 -2.01 -0.02 0.00 0.01 0.00 0.00 46.19 44.16 1ock s LEU 383 CO 0.00 0.20 1.32 -2.84 1.01 0.00 0.00 176.35 176.05 1ock s PRO 384 N 0.21 2.75 -0.02 1.29 0.02 -1.26 -1.13 135.00 136.87 1ock s PRO 384 Ca 0.06 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.23 1ock s PRO 384 Cb -0.12 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.42 1ock s PRO 384 CO -0.00 -1.47 -0.02 0.42 -0.33 0.00 0.00 177.00 175.60 1ock s ILE 385 N -1.35 0.23 0.37 2.83 -1.09 0.30 -4.54 121.20 117.95 1ock s ILE 385 Ca 0.79 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 59.21 1ock s ILE 385 Cb -0.39 -0.26 -0.03 0.00 -1.58 0.00 0.00 42.46 40.21 1ock s ILE 385 CO 0.43 0.11 0.16 -0.83 -1.23 0.00 0.00 174.94 173.58 1ock s GLY 386 N 0.44 2.45 0.14 6.18 0.00 -1.26 -0.96 107.32 114.32 1ock s GLY 386 Ca -0.04 -1.50 0.06 0.00 0.00 0.00 0.00 44.72 43.24 1ock s GLY 386 CO -0.01 -1.72 -0.14 -1.34 0.00 0.00 0.00 173.10 169.90 1ock s VAL 387 N -3.33 1.40 -0.20 1.40 -7.23 -0.54 -3.73 120.40 108.16 1ock s VAL 387 Ca 0.29 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1ock s VAL 387 Cb 0.03 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 1ock s VAL 387 CO 0.18 -0.51 -0.03 -1.58 -0.31 0.00 0.00 175.10 172.85 1ock s GLN 388 N -3.07 3.49 -0.23 4.82 0.74 0.09 -0.80 119.66 124.70 1ock s GLN 388 Ca 0.13 -0.58 -0.11 0.00 0.05 0.00 0.00 55.36 54.86 1ock s GLN 388 Cb -0.03 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 31.01 1ock s GLN 388 CO 0.03 -0.07 0.17 0.08 -0.55 0.00 0.00 175.29 174.96 1ock s VAL 389 N 1.18 5.36 -0.06 1.34 1.01 -0.16 -1.46 120.40 127.61 1ock s VAL 389 Ca 0.02 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1ock s VAL 389 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1ock s VAL 389 CO 0.00 0.35 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 1ock s ILE 390 N 0.98 1.40 0.50 2.22 1.01 0.43 -0.89 121.20 126.86 1ock s ILE 390 Ca 0.08 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1ock s ILE 390 Cb -0.13 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1ock s ILE 390 CO 0.04 0.41 0.12 0.00 0.00 0.00 0.00 174.94 175.51 1ock s ALA 391 N 0.29 4.07 0.66 9.38 0.00 -1.10 0.51 121.76 135.58 1ock s ALA 391 Ca -0.09 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 1ock s ALA 391 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ock s ALA 391 CO 0.04 -0.15 1.22 1.03 0.00 0.00 0.00 175.76 177.90 1ock s ARG 392 N -3.97 2.53 0.14 0.00 0.52 -1.26 -4.12 118.95 112.79 1ock s ARG 392 Ca 0.18 1.84 -0.35 0.00 -0.52 0.00 0.00 55.73 56.89 1ock s ARG 392 Cb 0.02 -1.87 -0.15 0.00 0.52 0.00 0.00 34.95 33.46 1ock s ARG 392 CO 0.10 -1.56 1.42 0.34 0.02 0.00 0.00 175.30 175.63 1ock n PHE 393 N -2.15 1.86 -0.68 -0.53 7.35 -1.26 -0.44 117.46 121.60 1ock n PHE 393 Ca 0.14 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 1ock n PHE 393 Cb 0.50 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.90 1ock n PHE 393 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ock n GLY 394 N 2.79 1.22 2.34 7.13 0.00 -1.26 -4.91 105.19 112.50 1ock n GLY 394 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1ock n GLY 394 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ock n ASN 395 N 0.00 7.42 -0.27 1.61 5.15 0.42 -4.72 115.26 124.87 1ock n ASN 395 Ca 0.00 -3.79 0.06 0.00 -0.60 0.00 0.00 54.58 50.26 1ock n ASN 395 Cb 0.00 -0.92 0.20 0.00 -0.53 0.00 0.00 39.78 38.53 1ock n ASN 395 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1ock h ASP 396 N 2.08 0.28 -0.55 1.20 5.19 -1.91 -1.88 116.42 120.83 1ock h ASP 396 Ca 0.58 0.12 0.08 0.00 -0.62 0.00 0.00 57.03 57.19 1ock h ASP 396 Cb 0.83 0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.38 1ock h ASP 396 CO 1.50 0.09 0.21 0.00 -3.12 0.00 0.00 179.24 177.92 1ock h ALA 397 N 1.58 0.70 0.00 3.45 0.00 -1.84 -1.43 119.26 121.71 1ock h ALA 397 Ca 0.44 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.32 1ock h ALA 397 Cb 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ock h ALA 397 CO -0.43 -0.19 -0.46 1.25 0.00 0.00 0.00 179.25 179.42 1ock h HIS 398 N 0.40 0.00 -0.41 0.00 -0.00 -1.72 -0.54 115.15 112.88 1ock h HIS 398 Ca 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.51 1ock h HIS 398 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1ock h HIS 398 CO -0.16 0.46 -0.24 0.00 -0.00 0.00 0.00 177.93 178.00 1ock h ALA 399 N 1.54 0.58 -0.42 5.26 0.00 -0.87 -0.01 119.26 125.33 1ock h ALA 399 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1ock h ALA 399 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ock h ALA 399 CO 0.06 0.58 -0.23 -0.07 0.00 0.00 0.00 179.25 179.58 1ock h LEU 400 N 0.70 0.87 -0.29 0.00 3.38 -1.08 -0.83 115.31 118.07 1ock h LEU 400 Ca 0.09 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ock h LEU 400 Cb 0.81 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1ock h LEU 400 CO 0.07 1.07 0.13 0.00 0.09 0.00 0.00 178.44 179.79 1ock h ALA 401 N 1.00 0.37 -0.38 1.53 0.00 -0.89 0.10 119.26 120.98 1ock h ALA 401 Ca 0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1ock h ALA 401 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ock h ALA 401 CO 0.06 -0.05 -0.32 1.15 0.00 0.00 0.00 179.25 180.09 1ock h THR 402 N 0.32 1.28 -0.71 0.00 2.02 -0.91 -1.40 112.91 113.51 1ock h THR 402 Ca 0.10 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1ock h THR 402 Cb 0.15 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1ock h THR 402 CO -0.01 0.49 0.45 0.00 0.37 0.00 0.00 175.52 176.82 1ock h ALA 403 N 0.92 0.90 -0.66 6.16 0.00 -0.95 0.99 119.26 126.61 1ock h ALA 403 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ock h ALA 403 Cb 0.88 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ock h ALA 403 CO 0.08 0.35 0.38 2.35 0.00 0.00 0.00 179.25 182.41 1ock h TRP 404 N 0.96 0.88 -0.68 0.00 2.91 -0.73 0.24 115.95 119.53 1ock h TRP 404 Ca 0.26 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.27 1ock h TRP 404 Cb -0.07 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.26 1ock h TRP 404 CO -0.02 0.61 0.44 0.35 -1.03 0.00 0.00 178.44 178.79 1ock h PHE 405 N 0.90 0.87 -0.58 2.65 3.57 -0.54 -2.12 116.94 121.70 1ock h PHE 405 Ca 0.23 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1ock h PHE 405 Cb 0.00 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1ock h PHE 405 CO -0.01 0.57 0.17 1.25 -2.23 0.00 0.00 178.31 178.05 1ock h LEU 406 N 0.92 0.86 -0.28 0.59 6.46 -0.10 -0.71 115.31 123.06 1ock h LEU 406 Ca 0.25 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1ock h LEU 406 Cb -0.08 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.60 1ock h LEU 406 CO -0.05 0.85 0.09 -0.33 -0.62 0.00 0.00 178.44 178.38 1ock h GLU 407 N 0.83 0.21 -0.66 1.25 5.08 -0.57 -0.39 114.58 120.32 1ock h GLU 407 Ca 0.19 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1ock h GLU 407 Cb 0.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1ock h GLU 407 CO -0.00 0.14 0.19 -0.44 -1.00 0.00 0.00 179.01 177.90 1ock h ASP 408 N 0.21 0.95 -0.34 1.42 3.32 -1.19 -2.17 116.42 118.62 1ock h ASP 408 Ca 0.12 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1ock h ASP 408 Cb 0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1ock h ASP 408 CO -0.13 0.90 0.02 0.00 -1.72 0.00 0.00 179.24 178.31 1ock h ALA 409 N 1.23 1.23 0.00 3.45 0.00 -0.59 -0.77 119.26 123.81 1ock h ALA 409 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ock h ALA 409 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ock h ALA 409 CO -0.01 0.51 -0.31 -0.07 0.00 0.00 0.00 179.25 179.38 1ock h LEU 410 N 0.66 0.00 0.00 0.00 3.38 -0.73 -2.80 115.31 115.82 1ock h LEU 410 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ock h LEU 410 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ock h LEU 410 CO 0.01 0.31 -0.60 0.00 0.09 0.00 0.00 178.44 178.25 1ock h ALA 411 N 1.69 0.64 0.00 1.53 0.00 -0.93 -3.52 119.26 118.68 1ock h ALA 411 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ock h ALA 411 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ock h ALA 411 CO 0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.92