#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0r s GLU 3 N 0.00 2.49 0.19 1.43 2.56 -1.26 -4.84 118.70 119.27 1a0r s GLU 3 Ca 0.00 1.29 -0.13 0.00 0.00 0.00 0.00 54.97 56.13 1a0r s GLU 3 Cb 0.00 -4.47 0.20 0.00 2.00 0.00 0.00 34.13 31.87 1a0r s GLU 3 CO 0.00 -2.85 1.68 -0.07 -0.56 0.00 0.00 175.26 173.46 1a0r h LEU 4 N 17.62 -0.20 -0.45 2.70 3.38 -2.05 -1.89 115.31 134.42 1a0r h LEU 4 Ca -0.28 0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.91 1a0r h LEU 4 Cb 1.23 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 1a0r h LEU 4 CO 1.14 -0.07 -0.14 -0.78 0.09 0.00 0.00 178.44 178.67 1a0r h ASP 5 N 0.12 -0.52 -0.62 -0.43 1.82 -1.98 0.14 116.42 114.95 1a0r h ASP 5 Ca 0.26 0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 57.00 1a0r h ASP 5 Cb 0.40 0.32 -0.03 0.00 0.68 0.00 0.00 39.33 40.70 1a0r h ASP 5 CO -0.43 -0.18 0.19 1.56 -1.61 0.00 0.00 179.24 178.78 1a0r h GLN 6 N -0.04 0.97 0.23 0.28 4.20 -1.83 0.01 115.11 118.93 1a0r h GLN 6 Ca 0.22 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1a0r h GLN 6 Cb 0.38 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1a0r h GLN 6 CO -0.49 0.86 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.35 1a0r h LEU 7 N 0.89 -0.26 -1.83 1.46 3.38 -0.48 0.31 115.31 118.78 1a0r h LEU 7 Ca 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a0r h LEU 7 Cb 0.29 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1a0r h LEU 7 CO -0.01 -0.08 -0.02 0.08 0.09 0.00 0.00 178.44 178.50 1a0r h ARG 8 N -0.44 0.00 -0.02 1.13 0.11 -0.71 -1.23 114.38 113.23 1a0r h ARG 8 Ca -0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.00 1a0r h ARG 8 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1a0r h ARG 8 CO 0.05 0.02 -0.19 0.37 0.10 0.00 0.00 179.97 180.33 1a0r h GLN 9 N 0.00 0.16 -0.89 0.08 4.15 -0.55 -2.50 115.11 115.56 1a0r h GLN 9 Ca -0.00 -0.15 0.05 0.00 0.77 0.00 0.00 58.65 59.32 1a0r h GLN 9 Cb 0.40 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 1a0r h GLN 9 CO 0.00 0.84 0.56 1.49 -1.93 0.00 0.00 178.83 179.80 1a0r h GLU 10 N -0.48 1.03 -0.65 1.69 4.81 -0.44 -1.05 114.58 119.49 1a0r h GLU 10 Ca -0.02 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1a0r h GLU 10 Cb 0.89 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 1a0r h GLU 10 CO 0.04 0.68 0.34 0.00 -0.73 0.00 0.00 179.01 179.33 1a0r h ALA 11 N 1.39 0.86 -0.23 2.92 0.00 -1.20 0.75 119.26 123.76 1a0r h ALA 11 Ca 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1a0r h ALA 11 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a0r h ALA 11 CO -0.15 -0.02 0.07 1.49 0.00 0.00 0.00 179.25 180.65 1a0r h GLU 12 N 0.61 0.36 -0.64 0.00 4.81 -0.76 -0.05 114.58 118.92 1a0r h GLU 12 Ca 0.30 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1a0r h GLU 12 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1a0r h GLU 12 CO -0.21 0.44 0.32 0.37 -0.73 0.00 0.00 179.01 179.21 1a0r h GLN 13 N 0.21 0.89 -0.34 1.92 5.75 -0.77 0.25 115.11 123.01 1a0r h GLN 13 Ca 0.08 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 1a0r h GLN 13 Cb 0.23 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1a0r h GLN 13 CO -0.00 0.67 0.01 -0.07 -2.65 0.00 0.00 178.83 176.79 1a0r h LEU 14 N 0.89 0.59 -1.17 -2.39 3.38 -0.58 -0.35 115.31 115.68 1a0r h LEU 14 Ca 0.22 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1a0r h LEU 14 Cb 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1a0r h LEU 14 CO -0.03 0.74 0.23 0.11 0.09 0.00 0.00 178.44 179.59 1a0r h LYS 15 N 0.41 0.82 -0.22 1.13 1.57 -0.23 -0.49 116.57 119.56 1a0r h LYS 15 Ca 0.10 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1a0r h LYS 15 Cb 0.44 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1a0r h LYS 15 CO 0.02 0.67 0.07 -0.91 -0.57 0.00 0.00 179.45 178.72 1a0r h ASN 16 N 0.81 0.33 -0.92 0.86 2.35 -0.16 -1.21 115.58 117.64 1a0r h ASN 16 Ca 0.19 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1a0r h ASN 16 Cb 0.15 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1a0r h ASN 16 CO -0.02 0.45 0.60 1.56 -1.65 0.00 0.00 177.43 178.37 1a0r h GLN 17 N 0.19 1.15 -0.17 0.81 4.20 -0.38 -2.53 115.11 118.39 1a0r h GLN 17 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1a0r h GLN 17 Cb 0.24 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1a0r h GLN 17 CO -0.00 0.76 0.07 0.82 -0.67 0.00 0.00 178.83 179.81 1a0r h ILE 18 N 1.19 1.16 -0.88 2.54 2.04 -0.82 -2.39 117.51 120.35 1a0r h ILE 18 Ca 0.36 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1a0r h ILE 18 Cb -0.05 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1a0r h ILE 18 CO -0.10 0.15 0.56 0.08 0.00 0.00 0.00 178.15 178.84 1a0r h ARG 19 N 0.12 1.06 -0.26 2.37 0.11 -0.90 -1.98 114.38 114.90 1a0r h ARG 19 Ca 0.06 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1a0r h ARG 19 Cb 0.17 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 1a0r h ARG 19 CO -0.00 0.70 0.08 -0.44 0.10 0.00 0.00 179.97 180.41 1a0r h ASP 20 N 1.09 0.37 -0.79 0.08 3.32 -1.37 -0.48 116.42 118.64 1a0r h ASP 20 Ca 0.35 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.32 1a0r h ASP 20 Cb 0.02 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.39 1a0r h ASP 20 CO -0.12 0.47 0.40 0.00 -1.72 0.00 0.00 179.24 178.27 1a0r h ALA 21 N 0.91 1.14 -0.13 3.45 0.00 -1.01 0.65 119.26 124.27 1a0r h ALA 21 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1a0r h ALA 21 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a0r h ALA 21 CO -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 179.25 179.23 1a0r h ARG 22 N 0.63 0.20 -0.84 0.00 3.08 -0.97 -2.84 114.38 113.63 1a0r h ARG 22 Ca 0.41 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.50 1a0r h ARG 22 Cb 0.51 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 1a0r h ARG 22 CO -0.32 0.34 0.55 0.87 -1.07 0.00 0.00 179.97 180.34 1a0r h LYS 23 N 0.02 0.84 -0.27 0.04 1.79 0.09 0.25 116.57 119.32 1a0r h LYS 23 Ca 0.04 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1a0r h LYS 23 Cb 0.23 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1a0r h LYS 23 CO -0.00 0.55 0.03 0.00 -1.08 0.00 0.00 179.45 178.95 1a0r h ALA 24 N 1.56 1.55 0.00 3.86 0.00 -0.69 -2.43 119.26 123.12 1a0r h ALA 24 Ca 0.38 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1a0r h ALA 24 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a0r h ALA 24 CO -0.15 0.33 -1.02 0.00 0.00 0.00 0.00 179.25 178.42 1a0r n ALA 26 N -2.23 4.74 0.35 0.00 0.00 0.66 -4.60 120.51 119.44 1a0r n ALA 26 Ca -0.02 -3.59 0.12 0.00 0.00 0.00 0.00 53.44 49.94 1a0r n ALA 26 Cb 0.62 -3.56 0.06 0.00 0.00 0.00 0.00 19.45 16.57 1a0r n ALA 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a0r n ASP 27 N 6.48 0.72 -3.44 0.00 5.75 -1.26 -4.96 116.55 119.83 1a0r n ASP 27 Ca 0.52 0.14 -0.12 0.00 -0.01 0.00 0.00 54.79 55.32 1a0r n ASP 27 Cb 0.38 0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.92 1a0r n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a0r s ALA 28 N -3.27 -1.59 0.14 2.12 0.00 -1.26 -5.17 121.76 112.73 1a0r s ALA 28 Ca 0.02 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1a0r s ALA 28 Cb 0.12 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 1a0r s ALA 28 CO 0.77 -0.78 0.17 0.99 0.00 0.00 0.00 175.76 176.92 1a0r s THR 29 N -3.73 4.78 0.22 0.00 2.01 -1.26 -5.03 115.64 112.64 1a0r s THR 29 Ca 0.02 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 1a0r s THR 29 Cb -0.01 -3.42 0.18 0.00 0.01 0.00 0.00 72.50 69.25 1a0r s THR 29 CO -0.12 -0.06 1.72 0.25 -0.69 0.00 0.00 174.62 175.72 1a0r h LEU 30 N 2.48 0.14 -0.96 4.42 5.85 -1.78 -1.93 115.31 123.54 1a0r h LEU 30 Ca -0.48 0.10 0.24 0.00 0.84 0.00 0.00 57.88 58.59 1a0r h LEU 30 Cb 1.19 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.21 1a0r h LEU 30 CO 0.66 0.07 0.51 0.28 -0.34 0.00 0.00 178.44 179.62 1a0r h SER 31 N 0.35 0.53 -0.04 1.25 0.02 -1.84 0.05 113.55 113.86 1a0r h SER 31 Ca 0.34 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1a0r h SER 31 Cb 0.49 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1a0r h SER 31 CO -0.38 0.05 0.02 1.56 -1.14 0.00 0.00 176.83 176.94 1a0r h GLN 32 N 0.49 0.07 0.00 3.45 4.20 -1.72 0.13 115.11 121.73 1a0r h GLN 32 Ca 0.61 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.31 1a0r h GLN 32 Cb 1.18 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 1a0r h GLN 32 CO -0.50 0.21 -0.01 0.82 -0.67 0.00 0.00 178.83 178.68 1a0r h ILE 33 N -0.09 0.68 -0.34 2.54 1.08 -1.00 -2.15 117.51 118.23 1a0r h ILE 33 Ca 0.01 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1a0r h ILE 33 Cb 0.17 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1a0r h ILE 33 CO -0.00 0.01 0.00 0.35 -0.69 0.00 0.00 178.15 177.82 1a0r n THR 34 N -4.06 1.29 0.21 -0.27 -2.24 -0.51 -4.61 114.28 104.09 1a0r n THR 34 Ca -0.03 -1.19 0.03 0.00 -2.27 0.00 0.00 64.05 60.59 1a0r n THR 34 Cb 0.09 0.34 0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1a0r n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1a0r n ASN 35 N 0.33 0.00 -0.68 3.42 5.15 0.41 -0.80 115.26 123.09 1a0r n ASN 35 Ca 0.14 0.42 0.07 0.00 -0.60 0.00 0.00 54.58 54.62 1a0r n ASN 35 Cb 0.54 -0.44 0.11 0.00 -0.53 0.00 0.00 39.78 39.45 1a0r n ASN 35 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1a0r n ASN 36 N -1.44 2.57 -4.60 1.20 6.94 -1.26 -4.93 115.26 113.73 1a0r n ASN 36 Ca 0.02 -1.75 -0.39 0.00 -0.02 0.00 0.00 54.58 52.44 1a0r n ASN 36 Cb 0.06 -0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 1a0r n ASN 36 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1a0r s ILE 37 N -1.15 5.15 0.33 1.53 -1.09 0.02 -5.05 121.20 120.95 1a0r s ILE 37 Ca 0.22 0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 58.91 1a0r s ILE 37 Cb 0.14 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 37.17 1a0r s ILE 37 CO 0.19 0.11 1.54 -1.81 -1.23 0.00 0.00 174.94 173.75 1a0r s ASP 38 N 1.64 6.37 0.60 3.58 1.11 -1.26 -4.95 116.67 123.76 1a0r s ASP 38 Ca 0.16 2.99 -0.20 0.00 0.18 0.00 0.00 52.55 55.68 1a0r s ASP 38 Cb -0.16 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.15 1a0r s ASP 38 CO 0.10 -0.89 1.30 -2.84 1.18 0.00 0.00 175.17 174.02 1a0r s PRO 39 N -1.19 2.86 0.64 8.23 0.02 -1.26 -4.98 135.00 139.32 1a0r s PRO 39 Ca 0.59 2.08 -0.15 0.00 0.02 0.00 0.00 61.00 63.54 1a0r s PRO 39 Cb -0.47 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 1a0r s PRO 39 CO 0.54 -1.36 1.10 0.14 -0.33 0.00 0.00 177.00 177.09 1a0r s VAL 40 N -1.39 3.39 0.68 3.83 -7.23 -1.26 -4.98 120.40 113.43 1a0r s VAL 40 Ca 0.77 0.65 -0.17 0.00 -1.81 0.00 0.00 61.98 61.42 1a0r s VAL 40 Cb -0.37 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.40 1a0r s VAL 40 CO 0.41 -0.40 1.25 -0.83 -0.31 0.00 0.00 175.10 175.23 1a0r s GLY 41 N -2.63 2.62 -0.29 2.32 0.00 -1.26 -4.80 107.32 103.28 1a0r s GLY 41 Ca 0.66 1.06 -0.36 0.00 0.00 0.00 0.00 44.72 46.08 1a0r s GLY 41 CO 0.40 1.48 2.07 -2.13 0.00 0.00 0.00 173.10 174.92 1a0r n ARG 42 N -2.26 1.29 -2.29 2.90 0.63 -1.26 -4.85 116.66 110.81 1a0r n ARG 42 Ca 0.15 0.40 -0.41 0.00 -0.92 0.00 0.00 57.85 57.06 1a0r n ARG 42 Cb 0.49 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 30.92 1a0r n ARG 42 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1a0r s ILE 43 N 6.23 3.70 -0.55 5.15 -1.09 -0.92 -4.94 121.20 128.79 1a0r s ILE 43 Ca 1.05 0.61 0.04 0.00 -2.23 0.00 0.00 60.65 60.12 1a0r s ILE 43 Cb -0.85 -4.26 0.15 0.00 -1.58 0.00 0.00 42.46 35.92 1a0r s ILE 43 CO 0.52 -1.01 0.33 -1.10 -1.23 0.00 0.00 174.94 172.46 1a0r s GLN 44 N 5.68 1.88 0.53 2.79 -0.21 -1.26 -3.97 119.66 125.10 1a0r s GLN 44 Ca 0.58 -2.66 -0.17 0.00 0.02 0.00 0.00 55.36 53.12 1a0r s GLN 44 Cb -0.13 -2.98 -0.07 0.00 1.00 0.00 0.00 33.01 30.84 1a0r s GLN 44 CO 0.26 -1.20 1.02 -1.64 -2.12 0.00 0.00 175.29 171.62 1a0r s MET 45 N -0.47 3.70 0.14 2.91 -1.94 -1.26 -5.01 119.30 117.36 1a0r s MET 45 Ca 0.21 1.16 0.10 0.00 -1.71 0.00 0.00 55.69 55.45 1a0r s MET 45 Cb -0.17 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 1a0r s MET 45 CO -0.07 -0.49 -0.24 0.50 -0.01 0.00 0.00 175.02 174.71 1a0r s ARG 46 N -3.80 1.34 0.10 2.03 3.52 -0.57 -4.84 118.95 116.73 1a0r s ARG 46 Ca 0.63 -1.35 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 1a0r s ARG 46 Cb -0.14 -1.68 -0.07 0.00 -1.56 0.00 0.00 34.95 31.50 1a0r s ARG 46 CO 0.29 0.38 1.24 0.99 -0.81 0.00 0.00 175.30 177.39 1a0r s THR 47 N -1.35 3.78 -0.11 4.11 2.01 -1.26 -2.28 115.64 120.53 1a0r s THR 47 Ca 0.14 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.42 1a0r s THR 47 Cb -0.09 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1a0r s THR 47 CO 0.07 0.13 -0.13 0.54 -0.69 0.00 0.00 174.62 174.53 1a0r n ARG 48 N 3.61 0.26 -4.24 4.92 5.12 0.48 -4.99 116.66 121.81 1a0r n ARG 48 Ca 0.08 0.09 -0.21 0.00 -1.93 0.00 0.00 57.85 55.89 1a0r n ARG 48 Cb 0.45 -1.02 -0.12 0.00 -1.16 0.00 0.00 32.46 30.62 1a0r n ARG 48 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1a0r s ARG 49 N -2.22 1.02 -0.14 5.56 3.00 -1.23 -4.99 118.95 119.96 1a0r s ARG 49 Ca -0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 55.73 54.43 1a0r s ARG 49 Cb 0.05 -1.10 0.03 0.00 0.00 0.00 0.00 34.95 33.94 1a0r s ARG 49 CO 0.22 0.24 -0.06 0.99 0.00 0.00 0.00 175.30 176.69 1a0r s THR 50 N -1.49 1.03 -0.48 0.02 2.01 -1.26 -1.53 115.64 113.93 1a0r s THR 50 Ca 0.05 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 1a0r s THR 50 Cb -0.08 -1.13 0.04 0.00 0.01 0.00 0.00 72.50 71.34 1a0r s THR 50 CO 0.04 0.25 0.69 -0.76 -0.69 0.00 0.00 174.62 174.14 1a0r s LEU 51 N 1.69 4.60 -0.23 4.42 1.43 0.40 -4.88 118.68 126.11 1a0r s LEU 51 Ca 0.03 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1a0r s LEU 51 Cb -0.14 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1a0r s LEU 51 CO -0.08 -0.89 0.10 -0.13 0.23 0.00 0.00 176.35 175.58 1a0r s ARG 52 N 2.94 3.88 0.00 1.70 0.52 -1.26 -2.72 118.95 124.01 1a0r s ARG 52 Ca 0.21 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1a0r s ARG 52 Cb -0.16 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1a0r s ARG 52 CO 0.17 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.92 1a0r n GLY 53 N 4.33 -0.29 3.74 -3.53 0.00 -1.26 -4.99 105.19 103.18 1a0r n GLY 53 Ca -0.16 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1a0r n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a0r s HIS 54 N 0.00 2.20 -1.49 1.61 3.76 -1.26 -4.95 115.29 115.16 1a0r s HIS 54 Ca 0.00 1.50 0.17 0.00 -0.15 0.00 0.00 55.06 56.57 1a0r s HIS 54 Cb 0.00 -3.61 0.44 0.00 1.11 0.00 0.00 32.58 30.53 1a0r s HIS 54 CO 0.00 -2.64 1.36 1.28 -0.85 0.00 0.00 174.74 173.89 1a0r n LEU 55 N -1.80 3.34 -3.84 0.89 4.77 -1.26 -4.76 117.00 114.34 1a0r n LEU 55 Ca 0.15 -1.91 -0.07 0.00 -0.03 0.00 0.00 56.01 54.15 1a0r n LEU 55 Cb 0.49 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1a0r n LEU 55 CO 0.46 0.82 0.64 0.00 -1.33 0.00 0.00 177.39 177.97 1a0r s ALA 56 N -1.04 -1.03 -0.09 -1.18 0.00 -1.26 -4.88 121.76 112.27 1a0r s ALA 56 Ca 0.34 -0.63 -0.39 0.00 0.00 0.00 0.00 51.96 51.28 1a0r s ALA 56 Cb 0.18 0.70 -0.17 0.00 0.00 0.00 0.00 23.12 23.83 1a0r s ALA 56 CO 0.24 -1.01 1.45 1.17 0.00 0.00 0.00 175.76 177.61 1a0r n LYS 57 N -0.60 0.88 -2.69 0.00 4.81 -1.13 -3.33 118.16 116.10 1a0r n LYS 57 Ca -0.06 0.32 -0.42 0.00 -0.87 0.00 0.00 58.31 57.27 1a0r n LYS 57 Cb 0.60 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 1a0r n LYS 57 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1a0r s ILE 58 N 1.60 4.79 -0.21 3.15 -1.09 0.18 -0.15 121.20 129.47 1a0r s ILE 58 Ca 0.92 2.03 -0.10 0.00 -2.23 0.00 0.00 60.65 61.27 1a0r s ILE 58 Cb -1.09 -4.30 -0.19 0.00 -1.58 0.00 0.00 42.46 35.30 1a0r s ILE 58 CO 0.57 0.07 0.01 -1.22 -1.23 0.00 0.00 174.94 173.14 1a0r n TYR 59 N 4.57 0.60 -3.92 3.97 4.01 0.05 -4.58 117.16 121.86 1a0r n TYR 59 Ca 0.08 0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1a0r n TYR 59 Cb 0.49 -1.07 -0.06 0.00 -0.31 0.00 0.00 39.34 38.39 1a0r n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a0r s ALA 60 N -2.49 -0.24 0.02 -0.72 0.00 -1.01 -4.68 121.76 112.64 1a0r s ALA 60 Ca -0.31 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 1a0r s ALA 60 Cb 0.09 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.16 1a0r s ALA 60 CO 0.62 -0.72 0.54 0.00 0.00 0.00 0.00 175.76 176.20 1a0r s MET 61 N -3.96 1.01 -0.17 0.00 0.23 -1.26 -0.52 119.30 114.64 1a0r s MET 61 Ca 0.16 -0.13 -0.08 0.00 -1.03 0.00 0.00 55.69 54.61 1a0r s MET 61 Cb 0.02 0.47 0.06 0.00 -1.53 0.00 0.00 34.83 33.85 1a0r s MET 61 CO 0.01 -0.35 0.38 -1.58 -2.03 0.00 0.00 175.02 171.45 1a0r s HIS 62 N -2.12 -0.60 0.50 3.16 2.46 -0.34 -4.88 115.29 113.47 1a0r s HIS 62 Ca -0.07 1.26 -0.20 0.00 0.47 0.00 0.00 55.06 56.51 1a0r s HIS 62 Cb -0.01 0.23 -0.08 0.00 -0.13 0.00 0.00 32.58 32.59 1a0r s HIS 62 CO 0.01 -0.36 1.06 -1.58 -2.47 0.00 0.00 174.74 171.41 1a0r s TRP 63 N 1.67 2.92 0.40 3.88 0.52 -1.26 -1.28 118.94 125.79 1a0r s TRP 63 Ca -0.07 1.57 -0.01 0.00 0.02 0.00 0.00 56.10 57.61 1a0r s TRP 63 Cb -0.09 -3.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.07 1a0r s TRP 63 CO -0.12 -1.02 0.63 0.20 0.02 0.00 0.00 176.95 176.66 1a0r s GLY 64 N -1.90 1.42 0.49 0.98 0.00 -0.27 -4.80 107.32 103.24 1a0r s GLY 64 Ca 0.68 -0.83 0.26 0.00 0.00 0.00 0.00 44.72 44.83 1a0r s GLY 64 CO 0.22 -0.73 1.89 -0.84 0.00 0.00 0.00 173.10 173.64 1a0r h THR 65 N 0.56 0.62 0.00 0.90 2.02 -1.84 0.23 112.91 115.40 1a0r h THR 65 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1a0r h THR 65 Cb 1.22 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1a0r h THR 65 CO 0.61 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.62 1a0r n ASP 66 N -4.37 0.00 -2.54 4.18 5.75 -1.26 -4.77 116.55 113.53 1a0r n ASP 66 Ca 0.18 0.13 -0.19 0.00 -0.01 0.00 0.00 54.79 54.90 1a0r n ASP 66 Cb 0.83 -0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1a0r n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a0r n SER 67 N -1.34 -5.36 0.09 -1.12 7.64 0.07 -4.76 113.62 108.83 1a0r n SER 67 Ca 0.08 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1a0r n SER 67 Cb 0.18 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 58.92 1a0r n SER 67 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1a0r n ARG 68 N -3.15 0.00 -2.62 1.43 0.63 -1.26 -4.97 116.66 106.73 1a0r n ARG 68 Ca -0.19 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.33 1a0r n ARG 68 Cb 0.65 -0.15 -0.05 0.00 0.45 0.00 0.00 32.46 33.36 1a0r n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1a0r s LEU 69 N -6.63 4.58 0.05 6.15 1.43 -1.26 -1.87 118.68 121.13 1a0r s LEU 69 Ca 0.00 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.16 1a0r s LEU 69 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1a0r s LEU 69 CO 0.00 -0.02 -0.00 -1.48 0.23 0.00 0.00 176.35 175.08 1a0r s LEU 70 N -1.10 2.33 0.10 1.79 0.05 -0.84 -1.11 118.68 119.89 1a0r s LEU 70 Ca 0.44 -0.88 0.09 0.00 0.05 0.00 0.00 54.13 53.82 1a0r s LEU 70 Cb -0.28 0.28 -0.04 0.00 -2.05 0.00 0.00 46.19 44.10 1a0r s LEU 70 CO 0.36 -0.57 -0.19 -0.22 -0.55 0.00 0.00 176.35 175.18 1a0r s LEU 71 N -2.69 2.63 -0.09 1.48 2.96 -0.40 -0.11 118.68 122.46 1a0r s LEU 71 Ca 0.03 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1a0r s LEU 71 Cb 0.05 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.29 1a0r s LEU 71 CO -0.09 0.20 0.17 -0.94 -1.32 0.00 0.00 176.35 174.38 1a0r s SER 72 N -1.93 0.48 -0.16 3.68 1.04 -0.50 -1.20 113.70 115.11 1a0r s SER 72 Ca 0.17 0.36 -0.14 0.00 0.48 0.00 0.00 55.95 56.82 1a0r s SER 72 Cb -0.10 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1a0r s SER 72 CO 0.08 -0.22 0.29 0.00 0.98 0.00 0.00 173.24 174.38 1a0r s ALA 73 N 2.03 3.59 0.22 5.32 0.00 0.32 -2.09 121.76 131.14 1a0r s ALA 73 Ca -0.00 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1a0r s ALA 73 Cb -0.12 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1a0r s ALA 73 CO -0.06 0.09 -0.10 0.45 0.00 0.00 0.00 175.76 176.14 1a0r s SER 74 N 0.46 2.39 0.48 0.00 0.15 -1.07 -0.77 113.70 115.34 1a0r s SER 74 Ca 0.17 -1.09 0.32 0.00 0.70 0.00 0.00 55.95 56.05 1a0r s SER 74 Cb -0.13 -0.10 1.71 0.00 -1.71 0.00 0.00 66.02 65.79 1a0r s SER 74 CO 0.04 -0.29 1.99 -0.61 1.20 0.00 0.00 173.24 175.57 1a0r h GLN 75 N 2.52 0.00 0.00 5.44 4.15 -0.67 -1.23 115.11 125.32 1a0r h GLN 75 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1a0r h GLN 75 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1a0r h GLN 75 CO 0.64 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.14 1a0r n ASP 76 N -2.65 0.00 -2.40 -0.69 5.75 -1.26 -4.57 116.55 110.72 1a0r n ASP 76 Ca -0.02 -1.09 -0.14 0.00 -0.01 0.00 0.00 54.79 53.53 1a0r n ASP 76 Cb 0.08 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1a0r n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a0r n GLY 77 N 0.46 0.03 2.89 6.12 0.00 -0.47 -4.93 105.19 109.29 1a0r n GLY 77 Ca 0.12 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1a0r n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0r s LYS 78 N -5.74 0.04 -0.28 1.61 1.02 -1.24 -0.27 119.74 114.87 1a0r s LYS 78 Ca 0.34 0.12 -0.06 0.00 0.02 0.00 0.00 55.97 56.39 1a0r s LYS 78 Cb -0.15 -0.05 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1a0r s LYS 78 CO 0.45 -0.06 0.05 -1.17 -0.92 0.00 0.00 175.35 173.70 1a0r s LEU 79 N 0.36 3.69 -0.10 3.17 2.96 0.55 -2.60 118.68 126.72 1a0r s LEU 79 Ca -0.03 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1a0r s LEU 79 Cb -0.04 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1a0r s LEU 79 CO -0.01 -0.17 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.05 1a0r s ILE 80 N 1.48 2.76 -0.35 6.68 1.01 -0.89 0.15 121.20 132.03 1a0r s ILE 80 Ca 0.02 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1a0r s ILE 80 Cb -0.17 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1a0r s ILE 80 CO 0.01 0.55 0.32 -0.63 0.00 0.00 0.00 174.94 175.19 1a0r s ILE 81 N 0.10 5.21 0.31 2.92 -1.09 0.08 -1.41 121.20 127.32 1a0r s ILE 81 Ca -0.08 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.30 1a0r s ILE 81 Cb -0.15 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1a0r s ILE 81 CO 0.05 -0.09 0.40 0.26 -1.23 0.00 0.00 174.94 174.33 1a0r s TRP 82 N 1.90 3.14 -0.59 3.97 0.52 0.85 -0.44 118.94 128.29 1a0r s TRP 82 Ca 0.09 -0.19 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 1a0r s TRP 82 Cb -0.17 -1.84 0.15 0.00 -1.15 0.00 0.00 33.47 30.46 1a0r s TRP 82 CO 0.11 0.15 0.38 0.34 0.02 0.00 0.00 176.95 177.95 1a0r s ASP 83 N -4.08 4.92 0.46 2.95 -1.08 -0.30 -1.99 116.67 117.54 1a0r s ASP 83 Ca 0.41 -2.93 0.29 0.00 -0.52 0.00 0.00 52.55 49.81 1a0r s ASP 83 Cb -0.09 -1.78 1.37 0.00 -1.46 0.00 0.00 42.92 40.96 1a0r s ASP 83 CO 0.29 -0.32 1.71 0.77 0.52 0.00 0.00 175.17 178.15 1a0r h SER 84 N 6.82 0.24 -0.47 -0.34 4.64 -1.67 0.18 113.55 122.95 1a0r h SER 84 Ca -0.03 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1a0r h SER 84 Cb 0.93 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1a0r h SER 84 CO 0.70 -0.03 0.09 1.88 -0.87 0.00 0.00 176.83 178.60 1a0r h TYR 85 N 0.17 0.82 -0.12 4.77 -1.99 -1.93 -3.31 116.97 115.36 1a0r h TYR 85 Ca 0.70 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 61.32 1a0r h TYR 85 Cb 2.24 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.75 1a0r h TYR 85 CO -0.00 0.75 0.00 0.25 -0.00 0.00 0.00 178.16 179.16 1a0r n THR 86 N -4.46 1.39 -0.64 -2.88 -2.24 -0.43 -4.97 114.28 100.05 1a0r n THR 86 Ca 0.01 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1a0r n THR 86 Cb 0.24 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1a0r n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a0r n THR 87 N -0.47 0.00 -2.55 4.28 -2.24 0.49 -4.91 114.28 108.88 1a0r n THR 87 Ca 0.10 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 1a0r n THR 87 Cb 0.48 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 1a0r n THR 87 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1a0r s ASN 88 N -1.41 6.59 -0.28 3.42 0.02 -1.23 -4.67 114.94 117.39 1a0r s ASN 88 Ca 0.00 1.72 -0.16 0.00 -1.02 0.00 0.00 52.86 53.40 1a0r s ASN 88 Cb 0.00 -2.53 -0.03 0.00 0.02 0.00 0.00 41.25 38.70 1a0r s ASN 88 CO 0.00 -0.61 0.43 -0.54 0.02 0.00 0.00 177.10 176.40 1a0r s LYS 89 N -3.55 3.98 -0.12 -0.60 1.02 -1.26 -1.15 119.74 118.06 1a0r s LYS 89 Ca 0.62 0.09 -0.14 0.00 0.02 0.00 0.00 55.97 56.57 1a0r s LYS 89 Cb -0.12 -3.67 -0.26 0.00 -0.52 0.00 0.00 37.83 33.26 1a0r s LYS 89 CO 0.22 -0.34 0.45 0.28 -0.92 0.00 0.00 175.35 175.05 1a0r h VAL 90 N 5.41 0.88 -3.78 3.17 2.07 -1.07 -3.48 116.25 119.45 1a0r h VAL 90 Ca -0.30 -2.35 -0.21 0.00 0.82 0.00 0.00 66.70 64.65 1a0r h VAL 90 Cb 1.15 2.57 -0.26 0.00 -1.52 0.00 0.00 31.29 33.23 1a0r h VAL 90 CO 0.68 0.71 -0.71 -1.00 0.02 0.00 0.00 177.57 177.27 1a0r s HIS 91 N -2.49 0.06 -0.12 1.57 3.76 -1.06 -4.97 115.29 112.04 1a0r s HIS 91 Ca -0.22 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1a0r s HIS 91 Cb 0.05 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.72 1a0r s HIS 91 CO 0.74 -0.05 -0.13 0.00 -0.85 0.00 0.00 174.74 174.46 1a0r s ALA 92 N -0.36 1.63 -0.25 -1.40 0.00 -1.26 -0.74 121.76 119.38 1a0r s ALA 92 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1a0r s ALA 92 Cb -0.02 -0.91 0.07 0.00 0.00 0.00 0.00 23.12 22.25 1a0r s ALA 92 CO -0.00 -0.26 -0.01 0.42 0.00 0.00 0.00 175.76 175.91 1a0r s ILE 93 N 1.32 1.40 0.20 0.00 1.01 0.12 -4.96 121.20 120.29 1a0r s ILE 93 Ca -0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 60.65 59.07 1a0r s ILE 93 Cb -0.14 -1.77 -0.09 0.00 0.01 0.00 0.00 42.46 40.46 1a0r s ILE 93 CO -0.06 -0.23 1.45 -2.84 0.00 0.00 0.00 174.94 173.26 1a0r s PRO 94 N 1.43 4.28 0.25 2.79 0.02 -1.26 -0.33 135.00 142.18 1a0r s PRO 94 Ca -0.02 2.24 0.07 0.00 0.02 0.00 0.00 61.00 63.32 1a0r s PRO 94 Cb -0.18 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 1a0r s PRO 94 CO -0.09 -0.45 0.18 -0.51 -0.33 0.00 0.00 177.00 175.80 1a0r s LEU 95 N 0.33 3.77 0.01 -5.54 1.43 0.63 -4.87 118.68 114.44 1a0r s LEU 95 Ca 0.63 -0.28 0.27 0.00 -1.03 0.00 0.00 54.13 53.72 1a0r s LEU 95 Cb -0.41 -2.30 1.15 0.00 0.03 0.00 0.00 46.19 44.66 1a0r s LEU 95 CO 0.37 -0.03 1.87 0.54 0.23 0.00 0.00 176.35 179.33 1a0r n ARG 96 N -1.14 0.02 -3.99 1.70 1.74 -1.26 -4.81 116.66 108.92 1a0r n ARG 96 Ca -0.08 0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1a0r n ARG 96 Cb 0.58 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.39 1a0r n ARG 96 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1a0r s SER 97 N -3.09 0.26 0.16 0.55 0.15 -1.26 -5.03 113.70 105.44 1a0r s SER 97 Ca 0.13 -0.56 0.23 0.00 0.70 0.00 0.00 55.95 56.45 1a0r s SER 97 Cb 0.18 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1a0r s SER 97 CO 0.51 -0.35 1.03 -1.20 1.20 0.00 0.00 173.24 174.42 1a0r n SER 98 N 1.36 0.75 -4.15 5.45 7.64 -1.26 -4.32 113.62 119.09 1a0r n SER 98 Ca -0.22 0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.46 1a0r n SER 98 Cb 0.56 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 1a0r n SER 98 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a0r n TRP 99 N -2.52 3.83 -3.58 1.43 7.02 -1.26 -3.94 117.44 118.42 1a0r n TRP 99 Ca 0.00 -3.08 -0.37 0.00 -1.02 0.00 0.00 57.50 53.04 1a0r n TRP 99 Cb 0.53 -1.95 -0.09 0.00 -2.42 0.00 0.00 31.31 27.38 1a0r n TRP 99 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1a0r s VAL 100 N 0.37 5.32 -0.12 -0.99 1.01 -1.26 -2.14 120.40 122.58 1a0r s VAL 100 Ca 0.39 0.36 0.17 0.00 0.00 0.00 0.00 61.98 62.91 1a0r s VAL 100 Cb 0.03 -3.57 -0.21 0.00 0.00 0.00 0.00 36.38 32.63 1a0r s VAL 100 CO 0.01 0.33 0.53 0.23 0.00 0.00 0.00 175.10 176.20 1a0r n MET 101 N 4.18 0.65 -3.89 2.72 2.81 0.54 -4.69 117.12 119.44 1a0r n MET 101 Ca -0.13 0.11 -0.09 0.00 -1.81 0.00 0.00 57.70 55.77 1a0r n MET 101 Cb 0.52 -1.68 -0.06 0.00 -0.71 0.00 0.00 33.22 31.29 1a0r n MET 101 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1a0r s THR 102 N -2.83 0.04 -0.23 2.03 -1.32 -0.96 -4.61 115.64 107.77 1a0r s THR 102 Ca -0.06 -1.19 -0.09 0.00 -1.21 0.00 0.00 61.69 59.14 1a0r s THR 102 Cb 0.09 -1.82 0.10 0.00 -1.51 0.00 0.00 72.50 69.35 1a0r s THR 102 CO 0.83 -0.19 0.49 0.00 -2.21 0.00 0.00 174.62 173.55 1a0r s ALA 104 N 2.49 3.67 -0.09 0.00 0.00 0.85 -4.29 121.76 124.38 1a0r s ALA 104 Ca -0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1a0r s ALA 104 Cb -0.11 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1a0r s ALA 104 CO -0.15 0.30 -0.05 -0.47 0.00 0.00 0.00 175.76 175.39 1a0r s TYR 105 N -2.03 1.18 0.36 0.00 6.14 -1.26 -0.79 117.35 120.95 1a0r s TYR 105 Ca 0.33 -0.52 -0.28 0.00 0.64 0.00 0.00 57.07 57.24 1a0r s TYR 105 Cb -0.09 -1.06 -0.11 0.00 0.42 0.00 0.00 41.96 41.13 1a0r s TYR 105 CO 0.26 -0.43 1.47 0.00 0.64 0.00 0.00 175.55 177.49 1a0r s ALA 106 N 1.72 3.58 -0.76 3.97 0.00 -0.39 -4.68 121.76 125.20 1a0r s ALA 106 Ca 0.04 1.52 0.06 0.00 0.00 0.00 0.00 51.96 53.58 1a0r s ALA 106 Cb -0.13 -3.59 0.34 0.00 0.00 0.00 0.00 23.12 19.74 1a0r s ALA 106 CO -0.06 -0.98 1.19 -0.35 0.00 0.00 0.00 175.76 175.56 1a0r n PRO 107 N 0.71 0.04 -0.00 0.00 -0.04 -1.26 -0.49 135.00 133.96 1a0r n PRO 107 Ca 0.02 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.12 1a0r n PRO 107 Cb 0.39 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 1a0r n PRO 107 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1a0r n SER 108 N -1.72 0.65 0.00 3.54 3.41 -1.26 -4.61 113.62 113.63 1a0r n SER 108 Ca -0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1a0r n SER 108 Cb 0.01 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 1a0r n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a0r n GLY 109 N 1.42 1.43 0.20 5.00 0.00 0.36 -4.87 105.19 108.72 1a0r n GLY 109 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1a0r n GLY 109 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a0r h ASN 110 N 0.00 0.53 -3.70 1.61 2.35 -1.93 -3.42 115.58 111.02 1a0r h ASN 110 Ca 0.00 -0.31 -0.39 0.00 -0.55 0.00 0.00 56.30 55.05 1a0r h ASN 110 Cb 0.00 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 38.07 1a0r h ASN 110 CO 0.00 1.01 -0.67 -0.31 -1.65 0.00 0.00 177.43 175.81 1a0r s TYR 111 N -3.85 1.59 0.00 1.19 1.51 -1.26 -0.83 117.35 115.70 1a0r s TYR 111 Ca -0.06 -0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 55.07 1a0r s TYR 111 Cb 0.11 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1a0r s TYR 111 CO 0.83 0.04 0.14 0.08 -1.11 0.00 0.00 175.55 175.54 1a0r s VAL 112 N -3.32 0.09 0.16 0.71 1.01 -0.70 -1.27 120.40 117.07 1a0r s VAL 112 Ca 0.27 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1a0r s VAL 112 Cb 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1a0r s VAL 112 CO 0.08 -0.39 0.06 0.00 0.00 0.00 0.00 175.10 174.85 1a0r s ALA 113 N -1.45 1.07 0.11 5.51 0.00 0.03 -0.21 121.76 126.82 1a0r s ALA 113 Ca -0.14 -1.56 -0.25 0.00 0.00 0.00 0.00 51.96 50.00 1a0r s ALA 113 Cb -0.07 0.90 0.08 0.00 0.00 0.00 0.00 23.12 24.02 1a0r s ALA 113 CO 0.01 -0.47 0.79 0.00 0.00 0.00 0.00 175.76 176.09 1a0r s GLY 115 N -2.70 -0.37 0.00 0.00 0.00 -0.97 -0.50 107.32 102.77 1a0r s GLY 115 Ca 0.06 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1a0r s GLY 115 CO -0.06 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.85 1a0r n GLY 116 N -0.33 2.38 0.00 0.20 0.00 -1.24 -0.34 105.19 105.85 1a0r n GLY 116 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1a0r n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a0r n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -0.91 -1.31 117.00 120.54 1a0r n LEU 117 Ca 0.00 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1a0r n LEU 117 Cb 0.00 -0.42 0.70 0.00 -2.33 0.00 0.00 43.42 41.37 1a0r n LEU 117 CO 0.00 -0.37 0.96 -0.90 -1.33 0.00 0.00 177.39 175.75 1a0r n ASP 118 N -1.42 0.00 0.00 -1.43 5.75 -1.26 -4.77 116.55 113.43 1a0r n ASP 118 Ca 0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1a0r n ASP 118 Cb 0.04 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1a0r n ASP 118 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1a0r n ASN 119 N -1.25 -2.85 -4.43 -1.12 5.03 -0.49 -4.95 115.26 105.20 1a0r n ASN 119 Ca 0.14 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.29 1a0r n ASN 119 Cb 0.20 -2.60 -0.13 0.00 -1.02 0.00 0.00 39.78 36.23 1a0r n ASN 119 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a0r s ILE 120 N -1.29 2.59 -0.50 2.41 1.01 -1.26 -4.20 121.20 119.97 1a0r s ILE 120 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.13 1a0r s ILE 120 Cb 0.00 -2.11 0.12 0.00 0.01 0.00 0.00 42.46 40.47 1a0r s ILE 120 CO 0.00 0.24 0.41 0.00 0.00 0.00 0.00 174.94 175.59 1a0r s SER 122 N 3.02 7.53 -0.06 0.00 0.01 0.34 -1.14 113.70 123.39 1a0r s SER 122 Ca 0.04 1.81 0.05 0.00 1.31 0.00 0.00 55.95 59.16 1a0r s SER 122 Cb -0.27 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.39 1a0r s SER 122 CO 0.02 0.17 -0.22 -0.63 0.41 0.00 0.00 173.24 172.99 1a0r s ILE 123 N -1.12 1.81 0.07 1.44 1.01 -0.28 -1.28 121.20 122.85 1a0r s ILE 123 Ca 0.39 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 60.22 1a0r s ILE 123 Cb -0.25 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1a0r s ILE 123 CO 0.29 0.51 -0.26 -0.31 0.00 0.00 0.00 174.94 175.17 1a0r s TYR 124 N 0.06 2.33 -0.31 3.97 1.51 0.71 -0.37 117.35 125.25 1a0r s TYR 124 Ca -0.08 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 1a0r s TYR 124 Cb -0.14 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1a0r s TYR 124 CO 0.04 0.18 0.26 1.21 -1.11 0.00 0.00 175.55 176.13 1a0r s ASN 125 N -1.44 6.09 -0.11 2.29 3.04 -1.26 -1.72 114.94 121.82 1a0r s ASN 125 Ca 0.12 -0.17 -0.09 0.00 0.04 0.00 0.00 52.86 52.76 1a0r s ASN 125 Cb -0.10 -2.15 -0.27 0.00 -1.54 0.00 0.00 41.25 37.20 1a0r s ASN 125 CO 0.03 -0.18 0.42 -0.07 -3.04 0.00 0.00 177.10 174.26 1a0r h LEU 126 N 8.50 0.42 -8.36 3.21 3.38 -1.23 -0.91 115.31 120.32 1a0r h LEU 126 Ca -0.32 -0.91 -0.73 0.00 0.09 0.00 0.00 57.88 56.00 1a0r h LEU 126 Cb 1.17 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 1a0r h LEU 126 CO 0.61 1.81 -0.32 -0.54 0.09 0.00 0.00 178.44 180.09 1a0r s LYS 127 N -2.54 2.99 -0.08 1.13 -0.14 -1.22 -4.73 119.74 115.16 1a0r s LYS 127 Ca -0.22 -1.23 -0.30 0.00 -1.36 0.00 0.00 55.97 52.86 1a0r s LYS 127 Cb 0.06 -4.09 0.11 0.00 -1.68 0.00 0.00 37.83 32.23 1a0r s LYS 127 CO 0.77 -0.98 0.93 0.95 -0.76 0.00 0.00 175.35 176.26 1a0r s THR 128 N 1.73 0.00 0.14 2.17 -4.23 -1.26 -5.00 115.64 109.19 1a0r s THR 128 Ca 0.05 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1a0r s THR 128 Cb -0.23 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.62 1a0r s THR 128 CO 0.08 0.00 1.58 -0.09 -0.54 0.00 0.00 174.62 175.65 1a0r h ARG 129 N 2.29 0.85 -3.54 3.99 2.43 -2.00 -3.16 114.38 115.24 1a0r h ARG 129 Ca -0.20 -0.29 -0.78 0.00 -0.81 0.00 0.00 59.98 57.90 1a0r h ARG 129 Cb 1.20 -0.07 -0.30 0.00 -0.42 0.00 0.00 29.97 30.39 1a0r h ARG 129 CO 0.31 0.92 0.28 -2.00 -1.51 0.00 0.00 179.97 177.97 1a0r s GLU 130 N -4.94 3.91 0.42 0.20 2.12 -1.26 -5.04 118.70 114.12 1a0r s GLU 130 Ca -0.12 -3.15 -0.24 0.00 0.36 0.00 0.00 54.97 51.82 1a0r s GLU 130 Cb 0.11 -4.40 -0.11 0.00 0.26 0.00 0.00 34.13 30.00 1a0r s GLU 130 CO 0.82 -1.25 0.95 0.41 -0.54 0.00 0.00 175.26 175.65 1a0r n GLY 131 N 2.75 -0.38 3.50 -1.50 0.00 -1.20 -4.98 105.19 103.39 1a0r n GLY 131 Ca 0.22 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 1a0r n GLY 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a0r s ASN 132 N -0.79 4.89 0.00 1.61 3.84 -0.35 -4.88 114.94 119.27 1a0r s ASN 132 Ca 0.64 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.58 1a0r s ASN 132 Cb -0.56 -1.81 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1a0r s ASN 132 CO 0.56 0.14 0.03 0.52 -2.79 0.00 0.00 177.10 175.56 1a0r n VAL 133 N 3.75 0.00 -0.11 -5.21 0.31 -1.26 -4.20 118.33 111.60 1a0r n VAL 133 Ca -0.17 -0.09 -0.24 0.00 -0.01 0.00 0.00 64.34 63.83 1a0r n VAL 133 Cb 0.52 1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 34.58 1a0r n VAL 133 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a0r n ARG 134 N -0.13 0.57 0.00 5.55 1.74 -1.26 -4.38 116.66 118.75 1a0r n ARG 134 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1a0r n ARG 134 Cb 0.06 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1a0r n ARG 134 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a0r n VAL 135 N -4.39 0.00 -0.13 1.55 0.31 -1.26 -5.03 118.33 109.37 1a0r n VAL 135 Ca -0.37 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.67 1a0r n VAL 135 Cb 0.73 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.56 1a0r n VAL 135 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a0r n SER 136 N 0.00 1.94 -4.05 4.52 2.88 0.51 -4.95 113.62 114.47 1a0r n SER 136 Ca 0.00 0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 1a0r n SER 136 Cb 0.00 -0.84 -0.10 0.00 -0.75 0.00 0.00 64.21 62.52 1a0r n SER 136 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1a0r s ARG 137 N -2.50 0.57 -0.34 -1.46 3.00 -1.16 -5.02 118.95 112.04 1a0r s ARG 137 Ca -0.37 -1.08 -0.01 0.00 0.00 0.00 0.00 55.73 54.27 1a0r s ARG 137 Cb 0.13 0.20 0.12 0.00 0.00 0.00 0.00 34.95 35.40 1a0r s ARG 137 CO 0.50 -0.11 0.16 -1.21 0.00 0.00 0.00 175.30 174.64 1a0r s GLU 138 N -3.44 0.66 -0.82 3.54 2.02 -1.26 -1.13 118.70 118.26 1a0r s GLU 138 Ca 0.02 -1.20 -0.25 0.00 0.02 0.00 0.00 54.97 53.57 1a0r s GLU 138 Cb 0.04 -1.67 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 1a0r s GLU 138 CO -0.08 -1.09 1.89 -0.51 0.02 0.00 0.00 175.26 175.48 1a0r s LEU 139 N 1.33 3.22 -0.11 1.80 1.43 -0.29 -4.86 118.68 121.19 1a0r s LEU 139 Ca 0.13 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1a0r s LEU 139 Cb -0.20 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1a0r s LEU 139 CO -0.16 -2.57 0.17 0.00 0.23 0.00 0.00 176.35 174.02 1a0r s ALA 140 N 9.48 3.85 0.00 4.21 0.00 -1.26 -1.87 121.76 136.17 1a0r s ALA 140 Ca 0.67 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1a0r s ALA 140 Cb -0.08 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1a0r s ALA 140 CO 0.05 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1a0r n GLY 141 N 2.03 0.76 3.73 0.00 0.00 -1.26 -4.94 105.19 105.51 1a0r n GLY 141 Ca -0.19 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1a0r n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a0r n HIS 142 N 0.00 2.79 -0.64 1.61 8.25 -1.26 -4.88 115.22 121.09 1a0r n HIS 142 Ca 0.00 0.19 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 1a0r n HIS 142 Cb 0.00 -2.62 0.10 0.00 1.12 0.00 0.00 29.99 28.59 1a0r n HIS 142 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1a0r n THR 143 N 2.73 2.64 -3.49 1.59 -2.24 -1.26 -4.86 114.28 109.39 1a0r n THR 143 Ca 0.11 -1.52 -0.10 0.00 -2.27 0.00 0.00 64.05 60.28 1a0r n THR 143 Cb 0.36 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 1a0r n THR 143 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a0r s GLY 144 N -0.50 -0.51 0.53 3.38 0.00 -1.26 -4.58 107.32 104.37 1a0r s GLY 144 Ca 0.39 0.73 -0.20 0.00 0.00 0.00 0.00 44.72 45.63 1a0r s GLY 144 CO 0.05 0.24 0.86 1.58 0.00 0.00 0.00 173.10 175.83 1a0r n TYR 145 N -0.31 0.54 -2.91 1.90 0.18 -1.26 -4.27 117.16 111.02 1a0r n TYR 145 Ca -0.12 0.48 -0.42 0.00 1.88 0.00 0.00 57.90 59.72 1a0r n TYR 145 Cb 0.63 -2.12 -0.05 0.00 -0.38 0.00 0.00 39.34 37.42 1a0r n TYR 145 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1a0r s LEU 146 N -0.72 4.10 -0.04 -3.48 2.96 -0.43 -0.04 118.68 121.03 1a0r s LEU 146 Ca 0.69 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1a0r s LEU 146 Cb -0.48 -3.09 -0.26 0.00 0.50 0.00 0.00 46.19 42.86 1a0r s LEU 146 CO 0.52 -0.81 0.70 0.77 -1.32 0.00 0.00 176.35 176.22 1a0r h SER 147 N 8.57 0.28 -5.02 3.68 4.64 -1.66 -3.29 113.55 120.76 1a0r h SER 147 Ca -0.24 -0.49 -0.04 0.00 -0.47 0.00 0.00 61.79 60.55 1a0r h SER 147 Cb 1.09 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 62.95 1a0r h SER 147 CO 0.94 1.42 0.11 0.00 -0.87 0.00 0.00 176.83 178.44 1a0r s ARG 150 N 0.22 -0.03 0.44 0.00 1.81 -0.64 -4.33 118.95 116.42 1a0r s ARG 150 Ca -0.01 0.25 -0.24 0.00 -1.72 0.00 0.00 55.73 54.01 1a0r s ARG 150 Cb -0.04 -0.28 -0.08 0.00 -0.45 0.00 0.00 34.95 34.10 1a0r s ARG 150 CO 0.02 -0.20 1.17 -0.06 -0.68 0.00 0.00 175.30 175.55 1a0r s PHE 151 N 1.28 2.94 -0.15 -0.53 0.08 -1.26 -2.01 117.98 118.34 1a0r s PHE 151 Ca -0.07 1.54 0.09 0.00 0.12 0.00 0.00 56.93 58.62 1a0r s PHE 151 Cb -0.13 -3.39 -0.16 0.00 -0.57 0.00 0.00 43.02 38.77 1a0r s PHE 151 CO -0.03 -1.46 -0.01 1.28 -0.10 0.00 0.00 175.22 174.90 1a0r n LEU 152 N -0.26 0.82 0.00 -0.37 4.77 0.04 -4.81 117.00 117.20 1a0r n LEU 152 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1a0r n LEU 152 Cb 0.47 0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1a0r n LEU 152 CO 0.49 0.47 0.32 -0.90 -1.33 0.00 0.00 177.39 176.44 1a0r n ASP 153 N -2.66 -0.45 0.32 -1.43 5.75 -1.07 -4.96 116.55 112.05 1a0r n ASP 153 Ca -0.25 -1.16 0.20 0.00 -0.01 0.00 0.00 54.79 53.57 1a0r n ASP 153 Cb 0.92 0.71 1.05 0.00 -1.03 0.00 0.00 41.12 42.77 1a0r n ASP 153 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1a0r h ASP 154 N 0.63 0.00 0.00 -1.12 5.19 -2.00 -3.13 116.42 115.99 1a0r h ASP 154 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1a0r h ASP 154 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1a0r h ASP 154 CO 0.11 0.01 -0.84 -3.20 -3.12 0.00 0.00 179.24 172.20 1a0r n ASN 155 N -3.29 1.84 -4.23 6.45 5.15 -1.26 -4.86 115.26 115.06 1a0r n ASN 155 Ca -0.02 -0.33 -0.26 0.00 -0.60 0.00 0.00 54.58 53.36 1a0r n ASN 155 Cb 0.12 1.17 -0.15 0.00 -0.53 0.00 0.00 39.78 40.39 1a0r n ASN 155 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a0r s GLN 156 N -2.10 1.53 -0.14 1.20 -0.21 -1.18 -0.02 119.66 118.74 1a0r s GLN 156 Ca -0.00 -0.82 -0.15 0.00 0.02 0.00 0.00 55.36 54.41 1a0r s GLN 156 Cb 0.05 -1.55 0.04 0.00 1.00 0.00 0.00 33.01 32.55 1a0r s GLN 156 CO 0.30 0.41 0.41 -1.50 -2.12 0.00 0.00 175.29 172.80 1a0r s ILE 157 N -0.62 0.01 -0.08 1.08 2.07 -1.15 -0.78 121.20 121.73 1a0r s ILE 157 Ca 0.08 -0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1a0r s ILE 157 Cb -0.08 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1a0r s ILE 157 CO 0.00 -0.03 0.05 -0.69 -1.91 0.00 0.00 174.94 172.37 1a0r s VAL 158 N 0.04 4.73 -0.02 4.00 1.01 -0.85 -1.02 120.40 128.29 1a0r s VAL 158 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1a0r s VAL 158 Cb -0.03 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1a0r s VAL 158 CO 0.01 0.57 -0.05 0.42 0.00 0.00 0.00 175.10 176.05 1a0r s THR 159 N -0.98 0.44 0.17 3.92 -4.23 0.47 -1.62 115.64 113.82 1a0r s THR 159 Ca 0.15 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1a0r s THR 159 Cb -0.12 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1a0r s THR 159 CO 0.05 0.15 0.34 -0.94 -0.54 0.00 0.00 174.62 173.68 1a0r s SER 160 N 0.27 6.37 0.11 3.99 1.04 0.25 -0.47 113.70 125.25 1a0r s SER 160 Ca -0.03 0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.60 1a0r s SER 160 Cb -0.07 -1.97 0.01 0.00 0.10 0.00 0.00 66.02 64.09 1a0r s SER 160 CO -0.00 0.01 0.26 -0.55 0.98 0.00 0.00 173.24 173.93 1a0r s SER 161 N -3.15 0.02 0.00 7.02 0.15 -0.04 -1.98 113.70 115.72 1a0r s SER 161 Ca 0.37 -0.61 0.19 0.00 0.70 0.00 0.00 55.95 56.59 1a0r s SER 161 Cb -0.11 0.39 0.99 0.00 -1.71 0.00 0.00 66.02 65.58 1a0r s SER 161 CO 0.29 -0.79 1.57 0.61 1.20 0.00 0.00 173.24 176.12 1a0r n GLY 162 N -0.13 -0.84 0.53 9.45 0.00 0.94 -1.71 105.19 113.42 1a0r n GLY 162 Ca -0.14 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1a0r n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a0r n ASP 163 N -1.23 1.49 0.00 1.61 5.75 -1.26 -4.42 116.55 118.49 1a0r n ASP 163 Ca 0.10 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1a0r n ASP 163 Cb 0.13 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1a0r n ASP 163 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1a0r n THR 164 N 0.21 0.00 -4.43 2.12 -1.04 -1.05 -4.94 114.28 105.14 1a0r n THR 164 Ca 0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.85 1a0r n THR 164 Cb 0.26 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.67 1a0r n THR 164 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1a0r s THR 165 N -3.50 2.68 0.18 12.58 2.01 -1.25 -4.25 115.64 124.09 1a0r s THR 165 Ca 0.00 -2.28 0.09 0.00 0.31 0.00 0.00 61.69 59.81 1a0r s THR 165 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1a0r s THR 165 CO 0.00 -0.37 -0.18 0.00 -0.69 0.00 0.00 174.62 173.37 1a0r s ALA 167 N -2.18 -1.78 -0.19 0.00 0.00 0.38 0.12 121.76 118.11 1a0r s ALA 167 Ca 0.18 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 1a0r s ALA 167 Cb -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1a0r s ALA 167 CO 0.07 -0.36 0.10 -1.17 0.00 0.00 0.00 175.76 174.40 1a0r s LEU 168 N -1.10 4.02 0.15 0.00 2.96 0.61 -0.39 118.68 124.92 1a0r s LEU 168 Ca -0.10 0.16 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 1a0r s LEU 168 Cb -0.00 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1a0r s LEU 168 CO 0.09 0.18 -0.20 0.26 -1.32 0.00 0.00 176.35 175.36 1a0r s TRP 169 N 0.37 2.46 -0.64 5.38 0.52 -0.19 -0.83 118.94 126.02 1a0r s TRP 169 Ca 0.06 -0.30 -0.11 0.00 0.02 0.00 0.00 56.10 55.76 1a0r s TRP 169 Cb -0.12 -1.27 0.16 0.00 -1.15 0.00 0.00 33.47 31.10 1a0r s TRP 169 CO -0.01 0.43 0.54 0.34 0.02 0.00 0.00 176.95 178.27 1a0r s ASP 170 N -2.38 6.11 0.31 2.95 -1.08 -0.48 -2.94 116.67 119.16 1a0r s ASP 170 Ca 0.19 -2.32 0.06 0.00 -0.52 0.00 0.00 52.55 49.96 1a0r s ASP 170 Cb -0.10 -2.10 0.83 0.00 -1.46 0.00 0.00 42.92 40.10 1a0r s ASP 170 CO 0.10 -0.63 1.64 0.40 0.52 0.00 0.00 175.17 177.20 1a0r h ILE 171 N 5.47 0.27 -0.62 4.11 2.04 -0.74 0.23 117.51 128.26 1a0r h ILE 171 Ca -0.09 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1a0r h ILE 171 Cb 1.05 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1a0r h ILE 171 CO 0.84 0.04 0.41 -0.08 0.00 0.00 0.00 178.15 179.36 1a0r h GLU 172 N 0.21 0.57 0.00 2.37 4.81 -1.90 -2.94 114.58 117.69 1a0r h GLU 172 Ca 0.61 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.68 1a0r h GLU 172 Cb 1.31 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1a0r h GLU 172 CO -0.67 0.37 -2.04 0.25 -0.73 0.00 0.00 179.01 176.19 1a0r n THR 173 N -4.48 0.50 -1.00 0.32 -2.24 -0.28 -4.97 114.28 102.13 1a0r n THR 173 Ca 0.09 -0.58 -0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1a0r n THR 173 Cb 0.26 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1a0r n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a0r n GLY 174 N 1.58 0.49 3.88 3.38 0.00 0.64 -5.02 105.19 110.15 1a0r n GLY 174 Ca -0.14 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1a0r n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a0r s GLN 175 N -0.06 3.71 -0.76 1.61 -1.52 -1.23 -4.58 119.66 116.83 1a0r s GLN 175 Ca 0.00 0.08 -0.23 0.00 -1.95 0.00 0.00 55.36 53.26 1a0r s GLN 175 Cb 0.00 -2.86 0.06 0.00 -0.22 0.00 0.00 33.01 29.99 1a0r s GLN 175 CO 0.00 0.47 1.14 -1.14 -0.25 0.00 0.00 175.29 175.51 1a0r s GLN 176 N -2.41 3.25 0.08 2.91 0.74 -1.26 -1.38 119.66 121.59 1a0r s GLN 176 Ca 0.39 -0.81 -0.31 0.00 0.05 0.00 0.00 55.36 54.69 1a0r s GLN 176 Cb -0.13 -4.44 -0.16 0.00 1.10 0.00 0.00 33.01 29.38 1a0r s GLN 176 CO 0.22 -1.96 1.64 1.15 -0.55 0.00 0.00 175.29 175.78 1a0r h THR 177 N 6.07 0.40 -4.13 -0.34 2.02 -1.31 -3.44 112.91 112.18 1a0r h THR 177 Ca -0.17 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.56 1a0r h THR 177 Cb 1.05 0.40 -0.28 0.00 -1.74 0.00 0.00 68.15 67.58 1a0r h THR 177 CO 1.23 0.00 -0.80 -0.89 0.37 0.00 0.00 175.52 175.43 1a0r s THR 178 N -6.06 1.01 -0.22 3.16 2.01 -0.95 -4.99 115.64 109.60 1a0r s THR 178 Ca -0.17 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1a0r s THR 178 Cb 0.05 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.73 1a0r s THR 178 CO 0.63 0.22 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.74 1a0r s THR 179 N -0.41 2.21 -0.73 -0.82 2.01 -1.26 -0.29 115.64 116.35 1a0r s THR 179 Ca 0.04 -1.23 -0.21 0.00 0.31 0.00 0.00 61.69 60.59 1a0r s THR 179 Cb -0.05 -2.10 0.09 0.00 0.01 0.00 0.00 72.50 70.44 1a0r s THR 179 CO -0.00 0.27 1.00 -0.36 -0.69 0.00 0.00 174.62 174.84 1a0r s PHE 180 N 1.22 2.79 -0.01 4.92 0.08 0.12 -4.98 117.98 122.12 1a0r s PHE 180 Ca -0.01 -0.77 -0.05 0.00 0.12 0.00 0.00 56.93 56.22 1a0r s PHE 180 Cb -0.16 -4.29 -0.04 0.00 -0.57 0.00 0.00 43.02 37.96 1a0r s PHE 180 CO -0.09 -1.60 0.22 0.95 -0.10 0.00 0.00 175.22 174.60 1a0r s THR 181 N 3.70 5.38 0.00 0.64 -4.23 -1.26 -2.40 115.64 117.47 1a0r s THR 181 Ca 0.24 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1a0r s THR 181 Cb -0.14 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1a0r s THR 181 CO 0.05 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1a0r n GLY 182 N 1.11 0.73 3.72 3.99 0.00 -1.26 -4.84 105.19 108.63 1a0r n GLY 182 Ca -0.12 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1a0r n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a0r s HIS 183 N 0.00 2.00 -0.18 1.61 3.76 -1.26 -4.93 115.29 116.29 1a0r s HIS 183 Ca 0.00 1.61 0.17 0.00 -0.15 0.00 0.00 55.06 56.69 1a0r s HIS 183 Cb 0.00 -3.49 0.51 0.00 1.11 0.00 0.00 32.58 30.72 1a0r s HIS 183 CO 0.00 -2.68 1.40 0.25 -0.85 0.00 0.00 174.74 172.86 1a0r n THR 184 N -2.80 2.27 -3.73 1.30 -2.24 -1.26 -4.93 114.28 102.88 1a0r n THR 184 Ca 0.14 -1.92 -0.06 0.00 -2.27 0.00 0.00 64.05 59.94 1a0r n THR 184 Cb 0.50 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1a0r n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a0r s GLY 185 N -2.01 -0.25 -0.27 3.38 0.00 -1.26 -4.87 107.32 102.03 1a0r s GLY 185 Ca 0.42 0.12 -0.41 0.00 0.00 0.00 0.00 44.72 44.85 1a0r s GLY 185 CO 0.08 0.03 1.69 1.22 0.00 0.00 0.00 173.10 176.12 1a0r n ASP 186 N -0.43 2.18 -4.68 1.64 9.92 -1.26 -4.31 116.55 119.61 1a0r n ASP 186 Ca -0.07 1.09 -0.43 0.00 -0.53 0.00 0.00 54.79 54.86 1a0r n ASP 186 Cb 0.61 -1.11 -0.02 0.00 -0.64 0.00 0.00 41.12 39.95 1a0r n ASP 186 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1a0r s VAL 187 N 3.21 4.41 -0.10 2.53 1.01 -0.70 -0.09 120.40 130.66 1a0r s VAL 187 Ca 0.98 1.71 0.10 0.00 0.00 0.00 0.00 61.98 64.77 1a0r s VAL 187 Cb -1.11 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 30.93 1a0r s VAL 187 CO 0.66 -0.07 0.43 0.23 0.00 0.00 0.00 175.10 176.35 1a0r n MET 188 N 5.74 0.67 -3.90 2.72 2.81 0.61 -4.00 117.12 121.78 1a0r n MET 188 Ca 0.12 0.22 -0.09 0.00 -1.81 0.00 0.00 57.70 56.13 1a0r n MET 188 Cb 0.46 -1.70 -0.05 0.00 -0.71 0.00 0.00 33.22 31.22 1a0r n MET 188 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1a0r s SER 189 N -6.13 -0.13 0.02 7.83 0.15 -0.88 -4.47 113.70 110.08 1a0r s SER 189 Ca -0.10 -0.75 -0.20 0.00 0.70 0.00 0.00 55.95 55.60 1a0r s SER 189 Cb 0.07 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 64.99 1a0r s SER 189 CO 0.80 -1.08 0.46 -1.48 1.20 0.00 0.00 173.24 173.14 1a0r s LEU 190 N -2.95 0.22 -0.14 3.45 0.05 -1.26 -0.80 118.68 117.25 1a0r s LEU 190 Ca 0.16 0.16 -0.08 0.00 0.05 0.00 0.00 54.13 54.42 1a0r s LEU 190 Cb -0.00 1.86 0.05 0.00 -2.05 0.00 0.00 46.19 46.05 1a0r s LEU 190 CO 0.03 -0.63 0.35 -0.55 -0.55 0.00 0.00 176.35 175.00 1a0r s SER 191 N -1.76 -0.42 0.33 1.48 0.15 0.10 -4.90 113.70 108.69 1a0r s SER 191 Ca -0.08 0.75 -0.23 0.00 0.70 0.00 0.00 55.95 57.09 1a0r s SER 191 Cb -0.01 0.65 -0.10 0.00 -1.71 0.00 0.00 66.02 64.85 1a0r s SER 191 CO 0.01 -0.17 0.89 -0.76 1.20 0.00 0.00 173.24 174.40 1a0r s LEU 192 N 1.19 4.24 0.59 3.45 1.43 -1.26 -1.03 118.68 127.28 1a0r s LEU 192 Ca -0.08 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.56 1a0r s LEU 192 Cb -0.08 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 1a0r s LEU 192 CO -0.10 -0.12 1.04 0.00 0.23 0.00 0.00 176.35 177.40 1a0r s ALA 193 N -1.75 2.84 0.54 4.21 0.00 -0.38 -4.73 121.76 122.50 1a0r s ALA 193 Ca 0.52 0.27 0.30 0.00 0.00 0.00 0.00 51.96 53.05 1a0r s ALA 193 Cb -0.16 -3.19 1.46 0.00 0.00 0.00 0.00 23.12 21.24 1a0r s ALA 193 CO 0.20 -0.70 1.92 -1.35 0.00 0.00 0.00 175.76 175.84 1a0r h PRO 194 N 0.38 0.00 -0.46 0.00 0.11 -1.87 0.17 132.00 130.33 1a0r h PRO 194 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1a0r h PRO 194 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1a0r h PRO 194 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1a0r n ASP 195 N -4.27 3.07 0.00 -2.05 5.75 -1.26 -4.95 116.55 112.84 1a0r n ASP 195 Ca 0.15 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1a0r n ASP 195 Cb 0.84 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1a0r n ASP 195 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1a0r n THR 196 N 1.20 0.00 0.23 2.12 -2.24 0.58 -4.69 114.28 111.48 1a0r n THR 196 Ca 0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1a0r n THR 196 Cb 0.52 -0.37 0.23 0.00 -2.10 0.00 0.00 70.33 68.61 1a0r n THR 196 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1a0r h ARG 197 N 0.00 0.00 -4.70 -0.78 3.08 -1.93 -3.45 114.38 106.61 1a0r h ARG 197 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1a0r h ARG 197 Cb 0.20 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.10 1a0r h ARG 197 CO 0.00 0.00 -0.67 -0.51 -1.07 0.00 0.00 179.97 177.72 1a0r s LEU 198 N -6.20 2.19 -0.14 3.04 1.43 -1.26 -1.36 118.68 116.38 1a0r s LEU 198 Ca 0.06 -1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 51.75 1a0r s LEU 198 Cb 0.06 -0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.34 1a0r s LEU 198 CO 0.65 -0.56 0.69 0.72 0.23 0.00 0.00 176.35 178.09 1a0r s PHE 199 N -3.70 -0.71 0.21 0.29 -0.71 -0.73 -1.24 117.98 111.38 1a0r s PHE 199 Ca 0.20 1.45 0.07 0.00 -1.04 0.00 0.00 56.93 57.62 1a0r s PHE 199 Cb 0.06 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1a0r s PHE 199 CO 0.01 -0.51 0.06 0.54 -1.34 0.00 0.00 175.22 173.98 1a0r s VAL 200 N -0.55 3.93 -0.02 -2.49 0.11 -0.20 -0.27 120.40 120.92 1a0r s VAL 200 Ca -0.06 -1.48 -0.04 0.00 -2.93 0.00 0.00 61.98 57.47 1a0r s VAL 200 Cb -0.02 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1a0r s VAL 200 CO 0.06 -0.22 0.09 -0.94 -3.33 0.00 0.00 175.10 170.77 1a0r s SER 201 N -3.32 -0.04 -0.02 3.54 1.04 0.07 -0.72 113.70 114.25 1a0r s SER 201 Ca 0.30 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.79 1a0r s SER 201 Cb -0.08 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1a0r s SER 201 CO 0.21 -0.13 -0.04 -0.83 0.98 0.00 0.00 173.24 173.43 1a0r s GLY 202 N -0.40 1.79 0.27 7.32 0.00 0.02 -0.71 107.32 115.62 1a0r s GLY 202 Ca -0.05 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1a0r s GLY 202 CO 0.00 -0.79 0.20 0.00 0.00 0.00 0.00 173.10 172.51 1a0r s ALA 203 N -0.98 1.58 -1.11 3.20 0.00 -1.11 -0.28 121.76 123.04 1a0r s ALA 203 Ca 0.17 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1a0r s ALA 203 Cb -0.11 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.41 1a0r s ALA 203 CO 0.07 -0.61 0.47 0.00 0.00 0.00 0.00 175.76 175.69 1a0r n ASP 205 N 0.01 3.38 -1.50 0.00 5.75 -1.26 -4.57 116.55 118.35 1a0r n ASP 205 Ca 0.00 -2.49 -0.18 0.00 -0.01 0.00 0.00 54.79 52.11 1a0r n ASP 205 Cb 0.19 -0.38 -0.07 0.00 -1.03 0.00 0.00 41.12 39.83 1a0r n ASP 205 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a0r n ALA 206 N 0.01 -0.32 -2.70 2.12 0.00 -1.12 -4.98 120.51 113.51 1a0r n ALA 206 Ca 0.16 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.69 1a0r n ALA 206 Cb 0.65 -1.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 1a0r n ALA 206 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a0r s SER 207 N -2.71 1.40 -0.12 0.00 1.04 -1.26 -4.16 113.70 107.90 1a0r s SER 207 Ca 0.00 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1a0r s SER 207 Cb 0.00 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1a0r s SER 207 CO 0.00 -0.02 -0.10 0.00 0.98 0.00 0.00 173.24 174.10 1a0r s ALA 208 N -0.92 2.77 -0.07 5.32 0.00 -0.50 -2.76 121.76 125.60 1a0r s ALA 208 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1a0r s ALA 208 Cb -0.08 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1a0r s ALA 208 CO 0.01 0.31 -0.23 0.15 0.00 0.00 0.00 175.76 176.00 1a0r s LYS 209 N 0.09 2.71 -0.20 0.00 1.02 0.11 -0.01 119.74 123.46 1a0r s LYS 209 Ca -0.04 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 1a0r s LYS 209 Cb -0.14 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1a0r s LYS 209 CO 0.04 0.34 0.30 -1.17 -0.92 0.00 0.00 175.35 173.94 1a0r s LEU 210 N -0.05 4.17 0.09 3.17 2.96 -0.08 -0.75 118.68 128.18 1a0r s LEU 210 Ca -0.07 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 1a0r s LEU 210 Cb -0.15 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1a0r s LEU 210 CO 0.05 0.01 -0.24 0.26 -1.32 0.00 0.00 176.35 175.11 1a0r s TRP 211 N 1.02 2.39 -0.49 5.38 0.52 0.63 0.16 118.94 128.55 1a0r s TRP 211 Ca 0.15 -0.35 -0.18 0.00 0.02 0.00 0.00 56.10 55.74 1a0r s TRP 211 Cb -0.14 -1.34 0.06 0.00 -1.15 0.00 0.00 33.47 30.90 1a0r s TRP 211 CO 0.06 0.27 0.53 0.34 0.02 0.00 0.00 176.95 178.17 1a0r s ASP 212 N -1.72 6.20 0.17 2.95 -1.08 -0.36 -1.77 116.67 121.06 1a0r s ASP 212 Ca 0.14 -1.02 -0.16 0.00 -0.52 0.00 0.00 52.55 50.99 1a0r s ASP 212 Cb -0.10 -2.25 0.11 0.00 -1.46 0.00 0.00 42.92 39.22 1a0r s ASP 212 CO 0.05 -0.78 1.68 0.58 0.52 0.00 0.00 175.17 177.22 1a0r h VAL 213 N 5.81 0.63 0.00 1.11 2.07 -1.53 0.55 116.25 124.89 1a0r h VAL 213 Ca -0.28 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1a0r h VAL 213 Cb 1.10 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1a0r h VAL 213 CO 0.92 0.01 -0.24 -0.09 0.02 0.00 0.00 177.57 178.18 1a0r h ARG 214 N 0.05 0.00 0.00 1.57 2.43 -1.91 -2.97 114.38 113.54 1a0r h ARG 214 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1a0r h ARG 214 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1a0r h ARG 214 CO -0.39 0.24 -1.52 0.39 -1.51 0.00 0.00 179.97 177.19 1a0r n GLU 215 N -4.05 0.46 -1.32 0.20 -0.58 -0.79 -4.99 120.64 109.56 1a0r n GLU 215 Ca -0.02 -0.09 -0.11 0.00 -0.42 0.00 0.00 57.16 56.52 1a0r n GLU 215 Cb 0.31 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1a0r n GLU 215 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a0r n GLY 216 N 1.32 1.22 3.42 0.62 0.00 0.18 -5.01 105.19 106.95 1a0r n GLY 216 Ca -0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1a0r n GLY 216 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1a0r s MET 217 N -2.86 1.54 0.01 1.61 0.23 -1.23 -4.74 119.30 113.87 1a0r s MET 217 Ca 0.00 -1.80 -0.27 0.00 -1.03 0.00 0.00 55.69 52.59 1a0r s MET 217 Cb 0.00 -1.03 -0.04 0.00 -1.53 0.00 0.00 34.83 32.23 1a0r s MET 217 CO 0.00 -0.02 0.86 0.00 -2.03 0.00 0.00 175.02 173.83 1a0r h ARG 219 N 6.42 0.00 -4.60 0.00 2.47 -0.63 -3.47 114.38 114.56 1a0r h ARG 219 Ca -0.42 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.05 1a0r h ARG 219 Cb 1.21 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.35 1a0r h ARG 219 CO 0.74 0.00 -0.72 -0.65 0.56 0.00 0.00 179.97 179.90 1a0r s GLN 220 N -2.00 0.66 -0.13 0.04 -0.21 -1.19 -5.01 119.66 111.82 1a0r s GLN 220 Ca -0.11 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1a0r s GLN 220 Cb 0.01 -0.25 0.02 0.00 1.00 0.00 0.00 33.01 33.79 1a0r s GLN 220 CO 0.16 0.02 -0.13 0.99 -2.12 0.00 0.00 175.29 174.21 1a0r s THR 221 N -2.35 1.41 -0.04 -0.19 2.01 -1.26 -0.90 115.64 114.32 1a0r s THR 221 Ca -0.01 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 1a0r s THR 221 Cb -0.03 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1a0r s THR 221 CO -0.02 0.43 0.13 -0.36 -0.69 0.00 0.00 174.62 174.12 1a0r s PHE 222 N 1.44 3.47 0.21 4.92 0.40 0.99 -4.96 117.98 124.44 1a0r s PHE 222 Ca 0.03 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1a0r s PHE 222 Cb -0.13 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 1a0r s PHE 222 CO -0.08 0.64 0.05 0.95 0.70 0.00 0.00 175.22 177.48 1a0r s THR 223 N -1.18 0.56 0.00 0.64 -4.23 -1.26 -1.41 115.64 108.76 1a0r s THR 223 Ca 0.22 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1a0r s THR 223 Cb -0.12 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1a0r s THR 223 CO 0.12 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1a0r n GLY 224 N -0.33 2.16 3.77 3.99 0.00 -1.26 -4.74 105.19 108.78 1a0r n GLY 224 Ca -0.03 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1a0r n GLY 224 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a0r s HIS 225 N 0.00 3.09 -2.18 1.61 3.76 -1.26 -4.92 115.29 115.39 1a0r s HIS 225 Ca 0.00 1.53 0.21 0.00 -0.15 0.00 0.00 55.06 56.65 1a0r s HIS 225 Cb 0.00 -3.47 0.54 0.00 1.11 0.00 0.00 32.58 30.76 1a0r s HIS 225 CO 0.00 -1.43 1.46 -0.85 -0.85 0.00 0.00 174.74 173.07 1a0r n GLU 226 N 0.37 2.44 -4.18 1.40 0.00 -1.26 -4.77 120.64 114.64 1a0r n GLU 226 Ca 0.03 -2.22 -0.13 0.00 0.00 0.00 0.00 57.16 54.83 1a0r n GLU 226 Cb 0.45 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.31 1a0r n GLU 226 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1a0r s SER 227 N -1.21 0.51 0.25 -1.84 0.01 -1.26 -5.00 113.70 105.16 1a0r s SER 227 Ca 0.41 -1.41 -0.31 0.00 1.31 0.00 0.00 55.95 55.95 1a0r s SER 227 Cb 0.22 0.47 -0.13 0.00 0.21 0.00 0.00 66.02 66.80 1a0r s SER 227 CO 0.30 -0.97 1.48 0.47 0.41 0.00 0.00 173.24 174.92 1a0r n ASP 228 N -0.66 3.09 -4.58 2.44 8.00 -1.26 -4.01 116.55 119.57 1a0r n ASP 228 Ca 0.03 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.24 1a0r n ASP 228 Cb 0.64 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 1a0r n ASP 228 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a0r s ILE 229 N 0.06 4.81 -0.08 0.53 1.01 -0.40 -1.80 121.20 125.33 1a0r s ILE 229 Ca 0.68 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.99 1a0r s ILE 229 Cb -0.61 -4.14 -0.29 0.00 0.01 0.00 0.00 42.46 37.44 1a0r s ILE 229 CO 0.48 -0.35 0.58 0.78 0.00 0.00 0.00 174.94 176.43 1a0r h ASN 230 N 8.42 0.49 -3.14 3.58 2.35 -0.92 -3.27 115.58 123.10 1a0r h ASN 230 Ca -0.25 -0.90 -0.48 0.00 -0.55 0.00 0.00 56.30 54.11 1a0r h ASN 230 Cb 1.10 -0.16 -0.15 0.00 0.05 0.00 0.00 38.32 39.16 1a0r h ASN 230 CO 0.87 1.73 -0.75 0.00 -1.65 0.00 0.00 177.43 177.63 1a0r s ALA 231 N -2.53 2.11 -0.23 -0.83 0.00 -0.75 -3.85 121.76 115.68 1a0r s ALA 231 Ca -0.19 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 49.92 1a0r s ALA 231 Cb 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1a0r s ALA 231 CO 0.81 0.13 0.61 -1.50 0.00 0.00 0.00 175.76 175.80 1a0r s ILE 232 N -2.73 -0.00 -0.05 0.00 2.07 -1.26 -1.09 121.20 118.13 1a0r s ILE 232 Ca 0.22 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1a0r s ILE 232 Cb -0.02 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.75 1a0r s ILE 232 CO 0.08 0.00 0.12 0.00 -1.91 0.00 0.00 174.94 173.23 1a0r s PHE 234 N 0.97 3.43 0.29 0.00 2.19 -1.26 -0.33 117.98 123.27 1a0r s PHE 234 Ca -0.08 1.69 -0.25 0.00 0.33 0.00 0.00 56.93 58.62 1a0r s PHE 234 Cb -0.10 -3.10 -0.09 0.00 -1.31 0.00 0.00 43.02 38.41 1a0r s PHE 234 CO -0.04 -0.40 0.90 0.12 1.83 0.00 0.00 175.22 177.62 1a0r s PHE 235 N -1.56 3.71 0.37 10.12 5.36 0.00 -4.86 117.98 131.13 1a0r s PHE 235 Ca 0.53 1.72 0.20 0.00 -0.96 0.00 0.00 56.93 58.42 1a0r s PHE 235 Cb -0.23 -2.87 1.22 0.00 -0.34 0.00 0.00 43.02 40.80 1a0r s PHE 235 CO 0.29 0.26 1.65 -1.35 -1.46 0.00 0.00 175.22 174.61 1a0r h PRO 236 N 3.32 0.21 -0.00 10.12 0.11 -1.90 0.13 132.00 143.99 1a0r h PRO 236 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a0r h PRO 236 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1a0r h PRO 236 CO 0.65 0.14 -0.08 0.27 -0.21 0.00 0.00 178.00 178.77 1a0r n ASN 237 N -4.97 0.35 0.00 -2.05 6.94 -1.26 -4.79 115.26 109.48 1a0r n ASN 237 Ca 0.34 -0.49 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 1a0r n ASN 237 Cb 1.14 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 1a0r n ASN 237 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a0r n GLY 238 N 1.27 0.63 0.62 4.83 0.00 0.46 -4.85 105.19 108.15 1a0r n GLY 238 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1a0r n GLY 238 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a0r n ASN 239 N -0.04 1.91 -2.93 1.61 3.02 -1.26 -4.92 115.26 112.65 1a0r n ASN 239 Ca 0.00 -1.65 -0.07 0.00 -0.03 0.00 0.00 54.58 52.83 1a0r n ASN 239 Cb 0.02 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1a0r n ASN 239 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a0r n ALA 240 N 0.49 -2.05 -3.49 5.41 0.00 -1.26 -0.71 120.51 118.90 1a0r n ALA 240 Ca 0.18 -1.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 1a0r n ALA 240 Cb 0.41 0.87 -0.02 0.00 0.00 0.00 0.00 19.45 20.70 1a0r n ALA 240 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1a0r s PHE 241 N -2.20 -0.40 0.03 0.00 -0.12 -0.24 -0.82 117.98 114.24 1a0r s PHE 241 Ca 0.18 0.30 0.04 0.00 -0.05 0.00 0.00 56.93 57.40 1a0r s PHE 241 Cb -0.04 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1a0r s PHE 241 CO 0.10 -0.61 -0.06 0.00 -0.05 0.00 0.00 175.22 174.60 1a0r s ALA 242 N -3.08 3.06 0.12 1.99 0.00 0.55 -0.72 121.76 123.67 1a0r s ALA 242 Ca 0.03 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 50.99 1a0r s ALA 242 Cb -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1a0r s ALA 242 CO -0.09 0.63 -0.16 0.95 0.00 0.00 0.00 175.76 177.10 1a0r s THR 243 N -1.08 1.42 -0.04 0.00 -4.23 0.26 -0.55 115.64 111.42 1a0r s THR 243 Ca 0.19 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1a0r s THR 243 Cb -0.11 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.24 1a0r s THR 243 CO 0.10 -0.32 -0.08 -0.83 -0.54 0.00 0.00 174.62 172.96 1a0r s GLY 244 N -2.28 0.54 0.37 3.99 0.00 -0.25 -1.12 107.32 108.57 1a0r s GLY 244 Ca 0.08 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.63 1a0r s GLY 244 CO 0.04 0.15 0.23 -1.35 0.00 0.00 0.00 173.10 172.16 1a0r s SER 245 N 0.54 2.18 0.54 1.64 1.04 -1.21 -0.38 113.70 118.05 1a0r s SER 245 Ca -0.09 -1.75 0.26 0.00 0.48 0.00 0.00 55.95 54.85 1a0r s SER 245 Cb -0.12 0.57 1.54 0.00 0.10 0.00 0.00 66.02 68.11 1a0r s SER 245 CO 0.01 -1.03 2.15 0.44 0.98 0.00 0.00 173.24 175.78 1a0r h ASP 246 N 1.97 0.00 0.00 7.02 3.32 -1.58 -0.29 116.42 126.85 1a0r h ASP 246 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1a0r h ASP 246 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1a0r h ASP 246 CO 0.43 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.12 1a0r n ASP 247 N -3.88 0.29 -3.10 6.45 5.68 -1.26 -3.93 116.55 116.79 1a0r n ASP 247 Ca -0.02 -1.32 -0.23 0.00 -0.50 0.00 0.00 54.79 52.71 1a0r n ASP 247 Cb 0.16 -0.14 0.04 0.00 -1.14 0.00 0.00 41.12 40.03 1a0r n ASP 247 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a0r n ALA 248 N -0.21 -1.01 -3.21 2.12 0.00 -1.06 -5.00 120.51 112.14 1a0r n ALA 248 Ca 0.00 0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 1a0r n ALA 248 Cb 0.07 -3.96 -0.15 0.00 0.00 0.00 0.00 19.45 15.41 1a0r n ALA 248 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a0r s THR 249 N -3.18 0.28 -0.11 0.00 -4.23 -1.26 -4.62 115.64 102.52 1a0r s THR 249 Ca 0.34 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1a0r s THR 249 Cb -0.15 -0.30 -0.05 0.00 1.34 0.00 0.00 72.50 73.35 1a0r s THR 249 CO 0.42 0.12 0.27 0.00 -0.54 0.00 0.00 174.62 174.88 1a0r s ARG 251 N -0.36 1.48 -0.32 0.00 0.52 -0.27 0.49 118.95 120.48 1a0r s ARG 251 Ca 0.17 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 1a0r s ARG 251 Cb -0.13 -1.52 0.01 0.00 0.52 0.00 0.00 34.95 33.83 1a0r s ARG 251 CO 0.06 0.40 0.13 -1.17 0.02 0.00 0.00 175.30 174.74 1a0r s LEU 252 N -0.87 4.18 -0.15 2.53 2.96 -0.39 -0.57 118.68 126.37 1a0r s LEU 252 Ca 0.07 -0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 1a0r s LEU 252 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1a0r s LEU 252 CO 0.01 -0.26 0.02 -0.36 -1.32 0.00 0.00 176.35 174.44 1a0r s PHE 253 N 1.52 3.18 -0.15 5.38 0.08 0.10 0.32 117.98 128.41 1a0r s PHE 253 Ca 0.02 0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.04 1a0r s PHE 253 Cb -0.18 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 1a0r s PHE 253 CO 0.04 0.21 0.05 0.34 -0.10 0.00 0.00 175.22 175.76 1a0r s ASP 254 N -0.02 5.53 0.08 1.36 -1.08 -0.62 -1.07 116.67 120.84 1a0r s ASP 254 Ca 0.04 0.11 -0.35 0.00 -0.52 0.00 0.00 52.55 51.83 1a0r s ASP 254 Cb -0.13 -1.85 -0.18 0.00 -1.46 0.00 0.00 42.92 39.30 1a0r s ASP 254 CO 0.02 0.24 1.59 -0.07 0.52 0.00 0.00 175.17 177.47 1a0r h LEU 255 N 6.21 -1.07 -0.88 -1.34 4.07 -1.24 0.96 115.31 122.01 1a0r h LEU 255 Ca -0.41 0.06 0.10 0.00 0.08 0.00 0.00 57.88 57.72 1a0r h LEU 255 Cb 1.18 0.31 -0.08 0.00 1.08 0.00 0.00 40.66 43.16 1a0r h LEU 255 CO 0.65 -0.66 0.52 0.03 -1.08 0.00 0.00 178.44 177.90 1a0r h ARG 256 N -1.05 0.82 0.00 1.13 -0.00 -1.97 0.04 114.38 113.35 1a0r h ARG 256 Ca -0.09 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 1a0r h ARG 256 Cb 0.85 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.63 1a0r h ARG 256 CO 0.09 0.54 0.00 0.00 0.00 0.00 0.00 179.97 180.60 1a0r h ALA 257 N 1.48 1.00 -3.35 0.04 0.00 -1.90 -3.47 119.26 113.06 1a0r h ALA 257 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.99 1a0r h ALA 257 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a0r h ALA 257 CO -0.26 0.00 -0.44 -3.47 0.00 0.00 0.00 179.25 175.08 1a0r n ASP 258 N -2.96 -5.08 -3.63 0.00 2.03 0.32 -4.92 116.55 102.31 1a0r n ASP 258 Ca 0.03 0.07 -0.07 0.00 0.52 0.00 0.00 54.79 55.35 1a0r n ASP 258 Cb 0.45 -4.26 -0.01 0.00 -0.72 0.00 0.00 41.12 36.59 1a0r n ASP 258 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a0r s GLN 259 N -5.04 1.80 0.00 -0.67 -2.07 -1.18 -4.84 119.66 107.67 1a0r s GLN 259 Ca 0.00 -1.04 -0.30 0.00 -1.82 0.00 0.00 55.36 52.19 1a0r s GLN 259 Cb 0.00 0.58 -0.04 0.00 -1.09 0.00 0.00 33.01 32.46 1a0r s GLN 259 CO 0.00 -0.83 1.17 -1.83 -1.32 0.00 0.00 175.29 172.48 1a0r s GLU 260 N -3.44 4.41 0.02 9.60 -1.05 -1.26 -1.59 118.70 125.39 1a0r s GLU 260 Ca 0.12 1.69 0.14 0.00 -0.15 0.00 0.00 54.97 56.78 1a0r s GLU 260 Cb -0.05 -3.45 -0.18 0.00 -0.44 0.00 0.00 34.13 30.01 1a0r s GLU 260 CO 0.07 -0.31 0.79 -0.07 0.95 0.00 0.00 175.26 176.69 1a0r h LEU 261 N 7.39 0.00 -7.32 1.83 3.38 -0.50 -3.48 115.31 116.60 1a0r h LEU 261 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1a0r h LEU 261 Cb 1.19 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 1a0r h LEU 261 CO 0.83 0.78 -0.06 -0.32 0.09 0.00 0.00 178.44 179.77 1a0r s MET 262 N -2.77 0.97 0.02 1.13 0.00 -1.23 -2.02 119.30 115.41 1a0r s MET 262 Ca -0.03 -0.37 0.06 0.00 0.00 0.00 0.00 55.69 55.35 1a0r s MET 262 Cb 0.08 0.44 -0.02 0.00 0.00 0.00 0.00 34.83 35.33 1a0r s MET 262 CO 0.82 -0.35 -0.17 0.99 0.00 0.00 0.00 175.02 176.31 1a0r s THR 263 N -2.63 1.37 -0.16 10.11 2.01 -1.26 -1.26 115.64 123.82 1a0r s THR 263 Ca -0.04 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1a0r s THR 263 Cb -0.00 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1a0r s THR 263 CO -0.03 0.23 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.66 1a0r s TYR 264 N -0.63 2.30 0.18 4.92 2.02 0.18 -4.95 117.35 121.36 1a0r s TYR 264 Ca 0.06 -1.31 -0.22 0.00 -0.37 0.00 0.00 57.07 55.22 1a0r s TYR 264 Cb -0.07 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 39.90 1a0r s TYR 264 CO 0.01 -0.70 1.06 -1.54 -1.57 0.00 0.00 175.55 172.80 1a0r s SER 265 N 1.45 0.02 -0.24 2.29 1.04 -1.26 -1.24 113.70 115.75 1a0r s SER 265 Ca 0.05 -0.67 -0.27 0.00 0.48 0.00 0.00 55.95 55.54 1a0r s SER 265 Cb -0.13 0.48 0.12 0.00 0.10 0.00 0.00 66.02 66.59 1a0r s SER 265 CO -0.11 -0.96 1.01 -2.28 0.98 0.00 0.00 173.24 171.88 1a0r s HIS 266 N -2.07 -0.45 0.49 5.02 2.46 -1.26 -5.04 115.29 114.43 1a0r s HIS 266 Ca 0.23 1.02 0.31 0.00 0.47 0.00 0.00 55.06 57.09 1a0r s HIS 266 Cb -0.03 0.39 1.41 0.00 -0.13 0.00 0.00 32.58 34.22 1a0r s HIS 266 CO 0.05 -0.27 1.76 -0.44 -2.47 0.00 0.00 174.74 173.37 1a0r h ASP 267 N 3.71 0.16 1.15 9.88 3.32 -2.02 0.14 116.42 132.77 1a0r h ASP 267 Ca -0.25 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 1a0r h ASP 267 Cb 1.17 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1a0r h ASP 267 CO 0.17 0.01 -0.35 -0.55 -1.72 0.00 0.00 179.24 176.80 1a0r h ASN 268 N 0.13 0.00 -3.08 6.45 -1.07 -2.02 -3.43 115.58 112.56 1a0r h ASN 268 Ca 0.62 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 56.42 1a0r h ASN 268 Cb 2.16 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 38.36 1a0r h ASN 268 CO -0.14 0.35 0.88 -0.63 0.07 0.00 0.00 177.43 177.96 1a0r s ILE 269 N -3.37 4.40 0.00 6.14 1.01 0.50 -4.84 121.20 125.03 1a0r s ILE 269 Ca 0.02 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.33 1a0r s ILE 269 Cb 0.09 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1a0r s ILE 269 CO 0.69 -0.28 0.00 2.30 0.00 0.00 0.00 174.94 177.65 1a0r n ILE 270 N 5.62 0.00 -3.00 2.92 -5.35 -1.26 -4.75 119.36 113.54 1a0r n ILE 270 Ca 0.13 -0.25 -0.37 0.00 -0.27 0.00 0.00 62.75 61.99 1a0r n ILE 270 Cb 0.46 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 39.15 1a0r n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a0r s GLY 272 N -1.55 2.89 0.02 0.00 0.00 -1.25 -4.12 107.32 103.31 1a0r s GLY 272 Ca 0.43 0.97 -0.25 0.00 0.00 0.00 0.00 44.72 45.88 1a0r s GLY 272 CO 0.23 1.50 0.76 -0.42 0.00 0.00 0.00 173.10 175.17 1a0r s ILE 273 N -1.38 4.79 0.00 0.90 1.01 -0.14 -0.17 121.20 126.21 1a0r s ILE 273 Ca 0.55 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.80 1a0r s ILE 273 Cb -0.31 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1a0r s ILE 273 CO 0.39 0.34 0.00 0.35 0.00 0.00 0.00 174.94 176.02 1a0r n THR 274 N 3.01 0.00 -4.19 2.92 -2.24 0.01 -3.67 114.28 110.13 1a0r n THR 274 Ca -0.02 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1a0r n THR 274 Cb 0.50 0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 69.29 1a0r n THR 274 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a0r s SER 275 N -1.46 0.74 -0.07 3.42 0.01 -0.88 -4.18 113.70 111.28 1a0r s SER 275 Ca 0.00 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 1a0r s SER 275 Cb 0.00 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1a0r s SER 275 CO 0.00 0.04 0.17 0.68 0.41 0.00 0.00 173.24 174.54 1a0r s VAL 276 N 0.12 -0.02 -0.17 3.43 -7.23 -1.26 -0.12 120.40 115.16 1a0r s VAL 276 Ca -0.01 0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.07 1a0r s VAL 276 Cb -0.05 -0.26 0.05 0.00 0.56 0.00 0.00 36.38 36.68 1a0r s VAL 276 CO -0.00 0.03 0.47 -0.44 -0.31 0.00 0.00 175.10 174.85 1a0r s SER 277 N 0.60 -0.48 0.33 4.85 0.01 -0.30 -4.58 113.70 114.13 1a0r s SER 277 Ca -0.04 0.91 0.01 0.00 1.31 0.00 0.00 55.95 58.14 1a0r s SER 277 Cb -0.06 0.93 -0.03 0.00 0.21 0.00 0.00 66.02 67.07 1a0r s SER 277 CO -0.03 -0.18 0.52 -0.36 0.41 0.00 0.00 173.24 173.59 1a0r s PHE 278 N 0.15 3.48 0.87 2.43 0.08 -1.26 -0.37 117.98 123.36 1a0r s PHE 278 Ca -0.01 0.27 -0.09 0.00 0.12 0.00 0.00 56.93 57.22 1a0r s PHE 278 Cb -0.03 -1.85 0.18 0.00 -0.57 0.00 0.00 43.02 40.74 1a0r s PHE 278 CO 0.01 0.16 1.19 -1.54 -0.10 0.00 0.00 175.22 174.94 1a0r s SER 279 N -4.03 3.55 0.11 1.36 1.04 -0.48 -4.78 113.70 110.46 1a0r s SER 279 Ca 0.39 -0.06 -0.22 0.00 0.48 0.00 0.00 55.95 56.54 1a0r s SER 279 Cb -0.09 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 65.87 1a0r s SER 279 CO 0.35 -2.42 1.71 0.50 0.98 0.00 0.00 173.24 174.35 1a0r h LYS 280 N -1.21 -0.07 0.00 4.02 3.64 -1.89 -1.60 116.57 119.47 1a0r h LYS 280 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1a0r h LYS 280 Cb 1.24 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1a0r h LYS 280 CO 0.37 -0.05 0.00 -1.13 -2.27 0.00 0.00 179.45 176.37 1a0r n SER 281 N -5.19 0.00 -0.04 4.20 3.41 -1.26 -4.88 113.62 109.86 1a0r n SER 281 Ca -0.04 0.39 -0.01 0.00 -0.26 0.00 0.00 58.87 58.96 1a0r n SER 281 Cb 0.12 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1a0r n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a0r n GLY 282 N 1.15 0.45 0.13 5.00 0.00 -0.60 -4.90 105.19 106.42 1a0r n GLY 282 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1a0r n GLY 282 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a0r h ARG 283 N 0.71 0.05 -5.81 1.61 9.65 -1.90 -3.43 114.38 115.27 1a0r h ARG 283 Ca -0.01 -0.04 -0.67 0.00 -1.10 0.00 0.00 59.98 58.15 1a0r h ARG 283 Cb 0.17 0.01 -0.25 0.00 -1.39 0.00 0.00 29.97 28.51 1a0r h ARG 283 CO 0.02 0.71 -0.76 -0.51 2.80 0.00 0.00 179.97 182.22 1a0r s LEU 284 N -7.54 2.74 -0.43 3.80 1.43 -1.26 -0.75 118.68 116.67 1a0r s LEU 284 Ca -0.02 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1a0r s LEU 284 Cb 0.12 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.87 1a0r s LEU 284 CO 0.78 0.25 0.21 -0.22 0.23 0.00 0.00 176.35 177.60 1a0r s LEU 285 N -0.18 5.08 -0.04 1.79 2.96 -0.02 -1.39 118.68 126.89 1a0r s LEU 285 Ca 0.00 -2.24 -0.29 0.00 -0.22 0.00 0.00 54.13 51.38 1a0r s LEU 285 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1a0r s LEU 285 CO 0.03 -0.46 0.94 -0.76 -1.32 0.00 0.00 176.35 174.78 1a0r s LEU 286 N 0.82 4.33 -0.10 -0.68 1.02 0.50 -0.88 118.68 123.68 1a0r s LEU 286 Ca 0.11 1.55 0.01 0.00 0.02 0.00 0.00 54.13 55.82 1a0r s LEU 286 Cb -0.22 -3.49 0.02 0.00 0.02 0.00 0.00 46.19 42.52 1a0r s LEU 286 CO -0.05 -0.29 -0.13 0.00 0.02 0.00 0.00 176.35 175.91 1a0r s ALA 287 N 1.24 1.52 -0.16 4.21 0.00 -0.29 -1.15 121.76 127.12 1a0r s ALA 287 Ca 0.49 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1a0r s ALA 287 Cb -0.20 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1a0r s ALA 287 CO 0.24 -0.11 0.32 0.20 0.00 0.00 0.00 175.76 176.41 1a0r s GLY 288 N 1.08 2.21 0.33 0.00 0.00 0.83 -1.24 107.32 110.52 1a0r s GLY 288 Ca -0.06 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.29 1a0r s GLY 288 CO -0.02 0.52 0.41 -0.19 0.00 0.00 0.00 173.10 173.82 1a0r s TYR 289 N 0.62 3.06 -0.08 1.90 1.51 0.38 -0.80 117.35 123.94 1a0r s TYR 289 Ca 0.18 -0.23 0.26 0.00 -1.01 0.00 0.00 57.07 56.26 1a0r s TYR 289 Cb -0.13 -1.90 1.36 0.00 -0.11 0.00 0.00 41.96 41.18 1a0r s TYR 289 CO 0.05 0.08 1.79 0.22 -1.11 0.00 0.00 175.55 176.58 1a0r h ASP 290 N 1.03 0.00 -0.35 2.29 3.58 -0.83 -1.06 116.42 121.07 1a0r h ASP 290 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1a0r h ASP 290 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1a0r h ASP 290 CO 0.55 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.01 1a0r n ASP 291 N -2.41 3.62 -1.68 2.28 5.75 -1.26 -4.89 116.55 117.96 1a0r n ASP 291 Ca -0.01 -2.48 -0.17 0.00 -0.01 0.00 0.00 54.79 52.12 1a0r n ASP 291 Cb 0.06 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.55 1a0r n ASP 291 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1a0r n PHE 292 N 0.42 -0.49 -4.00 2.11 3.72 -0.40 -4.58 117.46 114.24 1a0r n PHE 292 Ca 0.16 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.34 1a0r n PHE 292 Cb 0.76 -3.22 -0.06 0.00 -0.94 0.00 0.00 39.48 36.02 1a0r n PHE 292 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1a0r s ASN 293 N -2.47 4.84 -0.03 4.37 0.01 -1.24 -1.01 114.94 119.41 1a0r s ASN 293 Ca 0.00 -0.72 -0.01 0.00 -0.71 0.00 0.00 52.86 51.43 1a0r s ASN 293 Cb 0.00 -0.77 0.03 0.00 0.41 0.00 0.00 41.25 40.92 1a0r s ASN 293 CO 0.00 -0.34 0.06 0.00 -1.51 0.00 0.00 177.10 175.31 1a0r s ASN 295 N 1.11 3.83 -0.58 0.00 0.01 -0.37 -1.72 114.94 117.21 1a0r s ASN 295 Ca -0.09 -0.36 -0.19 0.00 -0.71 0.00 0.00 52.86 51.51 1a0r s ASN 295 Cb -0.13 -1.49 0.09 0.00 0.41 0.00 0.00 41.25 40.14 1a0r s ASN 295 CO -0.04 0.18 0.72 -0.69 -1.51 0.00 0.00 177.10 175.76 1a0r s VAL 296 N 0.24 4.77 0.47 1.60 1.01 0.19 -1.13 120.40 127.56 1a0r s VAL 296 Ca -0.10 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1a0r s VAL 296 Cb -0.16 -4.48 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 1a0r s VAL 296 CO 0.06 -1.11 0.88 0.26 0.00 0.00 0.00 175.10 175.19 1a0r s TRP 297 N 2.83 3.48 -0.58 5.22 0.52 -0.06 0.48 118.94 130.83 1a0r s TRP 297 Ca 0.13 1.23 -0.15 0.00 0.02 0.00 0.00 56.10 57.33 1a0r s TRP 297 Cb -0.22 -2.60 0.14 0.00 -1.15 0.00 0.00 33.47 29.64 1a0r s TRP 297 CO 0.08 -0.28 0.53 0.34 0.02 0.00 0.00 176.95 177.64 1a0r s ASP 298 N -3.26 6.24 0.35 2.95 -1.08 0.81 -0.84 116.67 121.84 1a0r s ASP 298 Ca 0.54 -1.94 0.15 0.00 -0.52 0.00 0.00 52.55 50.78 1a0r s ASP 298 Cb -0.10 -2.20 1.06 0.00 -1.46 0.00 0.00 42.92 40.22 1a0r s ASP 298 CO 0.34 -0.80 1.68 0.00 0.52 0.00 0.00 175.17 176.91 1a0r h ALA 299 N 8.69 1.98 0.31 3.66 0.00 -1.21 0.63 119.26 133.32 1a0r h ALA 299 Ca -0.23 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1a0r h ALA 299 Cb 1.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a0r h ALA 299 CO 0.98 -0.55 -0.15 -0.07 0.00 0.00 0.00 179.25 179.47 1a0r h LEU 300 N 0.38 -0.35 0.00 0.00 3.38 -1.88 -3.35 115.31 113.48 1a0r h LEU 300 Ca 0.71 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.69 1a0r h LEU 300 Cb 1.61 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1a0r h LEU 300 CO -0.54 0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.34 1a0r n LYS 301 N -4.88 0.81 -0.89 1.13 5.02 -1.09 -4.27 118.16 114.00 1a0r n LYS 301 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1a0r n LYS 301 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1a0r n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a0r n ALA 302 N -1.09 0.00 -2.91 7.82 0.00 0.20 -4.93 120.51 119.60 1a0r n ALA 302 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 1a0r n ALA 302 Cb 0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1a0r n ALA 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a0r s ASP 303 N -2.03 6.05 -0.09 0.00 1.01 -1.25 -4.75 116.67 115.61 1a0r s ASP 303 Ca 0.00 -0.01 -0.24 0.00 0.71 0.00 0.00 52.55 53.00 1a0r s ASP 303 Cb 0.00 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 1a0r s ASP 303 CO 0.00 -0.03 0.76 0.00 0.21 0.00 0.00 175.17 176.11 1a0r s ARG 304 N -3.74 4.41 0.27 8.23 1.70 -1.26 -0.14 118.95 128.42 1a0r s ARG 304 Ca 0.34 0.95 0.15 0.00 -0.47 0.00 0.00 55.73 56.71 1a0r s ARG 304 Cb -0.09 -3.49 0.06 0.00 -0.57 0.00 0.00 34.95 30.86 1a0r s ARG 304 CO 0.27 -0.06 1.40 0.00 -1.08 0.00 0.00 175.30 175.84 1a0r h ALA 305 N 6.94 0.68 -1.59 7.88 0.00 -0.23 -3.46 119.26 129.49 1a0r h ALA 305 Ca -0.38 -0.46 0.21 0.00 0.00 0.00 0.00 54.91 54.28 1a0r h ALA 305 Cb 1.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1a0r h ALA 305 CO 0.77 0.61 0.52 0.41 0.00 0.00 0.00 179.25 181.56 1a0r n GLY 306 N 1.23 0.30 3.13 0.00 0.00 -0.85 -2.16 105.19 106.85 1a0r n GLY 306 Ca 0.01 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1a0r n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a0r s VAL 307 N -2.03 1.87 -0.06 1.61 1.01 -1.25 -0.63 120.40 120.91 1a0r s VAL 307 Ca 0.17 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1a0r s VAL 307 Cb -0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1a0r s VAL 307 CO -0.01 0.51 0.57 -0.22 0.00 0.00 0.00 175.10 175.95 1a0r s LEU 308 N 0.86 4.34 -1.07 3.92 0.20 -0.70 -3.87 118.68 122.37 1a0r s LEU 308 Ca -0.07 1.03 0.00 0.00 0.69 0.00 0.00 54.13 55.78 1a0r s LEU 308 Cb -0.15 -2.86 0.00 0.00 -0.43 0.00 0.00 46.19 42.74 1a0r s LEU 308 CO -0.02 0.02 0.00 0.00 -0.29 0.00 0.00 176.35 176.06 1a0r n ALA 309 N 3.31 -0.23 -2.99 5.97 0.00 -1.26 -3.94 120.51 121.36 1a0r n ALA 309 Ca -0.06 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1a0r n ALA 309 Cb 0.51 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 1a0r n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a0r n GLY 310 N -1.37 -0.45 3.41 0.00 0.00 -1.25 -1.02 105.19 104.51 1a0r n GLY 310 Ca -0.12 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1a0r n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a0r n HIS 311 N -2.82 -2.47 1.79 1.61 8.25 -1.25 -4.88 115.22 115.44 1a0r n HIS 311 Ca 0.03 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 1a0r n HIS 311 Cb 0.46 -4.69 0.02 0.00 1.12 0.00 0.00 29.99 26.91 1a0r n HIS 311 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1a0r n ASP 312 N -2.80 0.00 -3.86 0.41 5.68 -0.19 -4.87 116.55 110.92 1a0r n ASP 312 Ca -0.03 -1.76 -0.28 0.00 -0.50 0.00 0.00 54.79 52.22 1a0r n ASP 312 Cb 0.58 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.58 1a0r n ASP 312 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1a0r n ASN 313 N -0.51 -3.66 -2.70 -1.12 5.03 -1.24 -4.91 115.26 106.14 1a0r n ASN 313 Ca 0.01 -0.80 -0.00 0.00 0.87 0.00 0.00 54.58 54.65 1a0r n ASN 313 Cb 0.00 -3.90 0.05 0.00 -1.02 0.00 0.00 39.78 34.91 1a0r n ASN 313 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1a0r n ARG 314 N -4.57 1.65 -3.98 3.52 1.74 -0.51 -4.79 116.66 109.72 1a0r n ARG 314 Ca -0.06 -3.41 -0.31 0.00 -0.77 0.00 0.00 57.85 53.30 1a0r n ARG 314 Cb 0.57 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.36 1a0r n ARG 314 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a0r s VAL 315 N -3.52 1.95 -0.11 1.55 1.01 -0.18 -4.28 120.40 116.82 1a0r s VAL 315 Ca 0.28 -1.86 0.16 0.00 0.00 0.00 0.00 61.98 60.57 1a0r s VAL 315 Cb 0.33 -2.31 -0.17 0.00 0.00 0.00 0.00 36.38 34.23 1a0r s VAL 315 CO -0.05 -0.38 0.70 -1.54 0.00 0.00 0.00 175.10 173.83 1a0r n SER 316 N 4.44 0.74 -3.77 3.32 3.41 0.23 -4.28 113.62 117.70 1a0r n SER 316 Ca -0.04 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 1a0r n SER 316 Cb 0.42 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 1a0r n SER 316 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a0r s LEU 318 N -2.89 -0.50 -0.16 0.00 0.05 -1.26 -1.70 118.68 112.22 1a0r s LEU 318 Ca 0.10 0.00 -0.29 0.00 0.05 0.00 0.00 54.13 53.99 1a0r s LEU 318 Cb -0.03 2.41 0.11 0.00 -2.05 0.00 0.00 46.19 46.63 1a0r s LEU 318 CO 0.01 -0.85 0.91 -0.83 -0.55 0.00 0.00 176.35 175.04 1a0r s GLY 319 N -2.66 -0.34 -0.05 -3.48 0.00 -0.67 -4.90 107.32 95.22 1a0r s GLY 319 Ca 0.02 1.97 -0.03 0.00 0.00 0.00 0.00 44.72 46.69 1a0r s GLY 319 CO -0.12 1.20 0.10 0.14 0.00 0.00 0.00 173.10 174.42 1a0r s VAL 320 N -0.80 4.96 0.54 1.40 1.01 -1.26 -1.03 120.40 125.22 1a0r s VAL 320 Ca -0.03 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1a0r s VAL 320 Cb -0.01 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1a0r s VAL 320 CO 0.02 0.48 1.10 0.42 0.00 0.00 0.00 175.10 177.12 1a0r s THR 321 N -1.10 3.37 0.50 3.92 -4.23 -0.64 -4.87 115.64 112.58 1a0r s THR 321 Ca 0.19 0.83 0.17 0.00 -1.18 0.00 0.00 61.69 61.70 1a0r s THR 321 Cb -0.12 -3.32 0.31 0.00 1.34 0.00 0.00 72.50 70.71 1a0r s THR 321 CO 0.09 -0.21 2.07 0.44 -0.54 0.00 0.00 174.62 176.48 1a0r h ASP 322 N 1.18 0.10 -0.01 3.99 3.32 -1.86 0.17 116.42 123.32 1a0r h ASP 322 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1a0r h ASP 322 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1a0r h ASP 322 CO 0.57 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.26 1a0r n ASP 323 N -4.48 1.08 -0.79 6.45 5.68 -1.26 -4.91 116.55 118.31 1a0r n ASP 323 Ca 0.03 -1.36 -0.10 0.00 -0.50 0.00 0.00 54.79 52.86 1a0r n ASP 323 Cb 0.27 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.20 1a0r n ASP 323 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a0r n GLY 324 N 1.12 1.08 0.05 6.12 0.00 0.60 -4.87 105.19 109.30 1a0r n GLY 324 Ca 0.20 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1a0r n GLY 324 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a0r n MET 325 N -1.57 0.36 -3.54 1.61 2.81 -1.26 -4.79 117.12 110.74 1a0r n MET 325 Ca -0.10 -0.09 -0.07 0.00 -1.81 0.00 0.00 57.70 55.62 1a0r n MET 325 Cb 0.48 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 1a0r n MET 325 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a0r s ALA 326 N -2.70 -1.86 -0.08 3.04 0.00 -1.26 -4.74 121.76 114.17 1a0r s ALA 326 Ca 0.23 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.24 1a0r s ALA 326 Cb 0.19 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1a0r s ALA 326 CO 0.52 -0.72 -0.17 0.08 0.00 0.00 0.00 175.76 175.47 1a0r s VAL 327 N -3.00 1.53 -0.08 0.00 1.01 -0.00 -1.62 120.40 118.24 1a0r s VAL 327 Ca 0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1a0r s VAL 327 Cb -0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1a0r s VAL 327 CO -0.07 0.44 -0.02 0.00 0.00 0.00 0.00 175.10 175.45 1a0r s ALA 328 N 0.45 3.18 0.03 5.51 0.00 -0.19 0.03 121.76 130.76 1a0r s ALA 328 Ca -0.15 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1a0r s ALA 328 Cb -0.16 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1a0r s ALA 328 CO 0.05 0.58 -0.14 0.95 0.00 0.00 0.00 175.76 177.21 1a0r s THR 329 N -0.86 1.13 0.32 0.00 -4.23 0.04 -1.67 115.64 110.36 1a0r s THR 329 Ca 0.13 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.82 1a0r s THR 329 Cb -0.11 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 1a0r s THR 329 CO 0.02 0.09 0.07 -0.83 -0.54 0.00 0.00 174.62 173.43 1a0r s GLY 330 N -0.93 1.87 0.20 3.99 0.00 -0.69 -1.08 107.32 110.68 1a0r s GLY 330 Ca 0.03 -1.80 -0.06 0.00 0.00 0.00 0.00 44.72 42.89 1a0r s GLY 330 CO 0.01 -1.77 0.24 -0.45 0.00 0.00 0.00 173.10 171.13 1a0r s SER 331 N -3.76 0.08 0.41 1.64 0.15 -0.98 -0.60 113.70 110.63 1a0r s SER 331 Ca 0.35 -1.16 0.29 0.00 0.70 0.00 0.00 55.95 56.13 1a0r s SER 331 Cb -0.03 0.44 1.22 0.00 -1.71 0.00 0.00 66.02 65.93 1a0r s SER 331 CO 0.21 -0.92 1.86 4.11 1.20 0.00 0.00 173.24 179.70 1a0r h TRP 332 N 2.54 0.00 -0.39 3.44 5.08 -1.83 0.57 115.95 125.36 1a0r h TRP 332 Ca -0.32 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.58 1a0r h TRP 332 Cb 1.24 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.36 1a0r h TRP 332 CO 0.38 0.00 0.08 -0.40 -1.28 0.00 0.00 178.44 177.22 1a0r n ASP 333 N -2.65 3.72 0.00 0.11 5.68 -1.26 -2.85 116.55 119.30 1a0r n ASP 333 Ca 0.01 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1a0r n ASP 333 Cb 0.25 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1a0r n ASP 333 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a0r n SER 334 N 0.19 0.00 -4.91 -1.12 3.41 -1.13 -4.88 113.62 105.18 1a0r n SER 334 Ca 0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 1a0r n SER 334 Cb 0.89 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1a0r n SER 334 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1a0r s PHE 335 N -2.23 3.48 0.08 7.33 0.08 -1.26 -4.04 117.98 121.41 1a0r s PHE 335 Ca 0.00 0.49 0.09 0.00 0.12 0.00 0.00 56.93 57.63 1a0r s PHE 335 Cb 0.00 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1a0r s PHE 335 CO 0.00 0.41 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.80 1a0r s LEU 336 N -2.86 2.23 0.04 -0.37 1.02 -1.10 -2.32 118.68 115.32 1a0r s LEU 336 Ca 0.40 -0.62 0.04 0.00 0.02 0.00 0.00 54.13 53.97 1a0r s LEU 336 Cb -0.12 -1.05 -0.02 0.00 0.02 0.00 0.00 46.19 45.02 1a0r s LEU 336 CO 0.26 0.15 -0.11 -0.54 0.02 0.00 0.00 176.35 176.14 1a0r s LYS 337 N -1.55 0.71 -0.15 1.70 1.02 -0.24 -0.45 119.74 120.79 1a0r s LYS 337 Ca 0.09 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 1a0r s LYS 337 Cb -0.10 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 1a0r s LYS 337 CO 0.03 0.15 -0.02 0.42 -0.92 0.00 0.00 175.35 175.02 1a0r s ILE 338 N -0.99 4.11 0.11 2.17 -1.09 -0.58 -0.78 121.20 124.14 1a0r s ILE 338 Ca -0.03 -0.29 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 1a0r s ILE 338 Cb -0.08 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.97 1a0r s ILE 338 CO 0.01 0.51 -0.20 0.26 -1.23 0.00 0.00 174.94 174.28 1a0r s TRP 339 N 0.16 1.78 0.00 3.97 0.52 0.10 -0.39 118.94 125.09 1a0r s TRP 339 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 55.69 1a0r s TRP 339 Cb -0.13 -0.96 0.00 0.00 -1.15 0.00 0.00 33.47 31.22 1a0r s TRP 339 CO 0.02 0.22 0.00 0.27 0.02 0.00 0.00 176.95 177.48