#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cxs s ALA 2 N 0.00 3.38 0.20 3.17 0.00 -1.26 -4.87 121.76 122.38 2cxs s ALA 2 Ca 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 51.96 49.82 2cxs s ALA 2 Cb 0.00 -0.37 0.22 0.00 0.00 0.00 0.00 23.12 22.97 2cxs s ALA 2 CO 0.00 -0.04 1.80 0.00 0.00 0.00 0.00 175.76 177.51 2cxs h ALA 3 N 1.63 0.83 -0.12 0.00 0.00 -1.94 -1.34 119.26 118.31 2cxs h ALA 3 Ca -0.43 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2cxs h ALA 3 Cb 1.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cxs h ALA 3 CO 0.69 -0.00 0.02 1.25 0.00 0.00 0.00 179.25 181.20 2cxs h LEU 4 N 0.62 0.19 -0.97 0.00 5.85 -1.85 -2.61 115.31 116.54 2cxs h LEU 4 Ca 0.28 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2cxs h LEU 4 Cb 0.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2cxs h LEU 4 CO -0.19 0.40 -0.32 0.71 -0.34 0.00 0.00 178.44 178.70 2cxs h THR 5 N -0.03 0.76 0.00 1.05 1.35 -1.90 -2.39 112.91 111.75 2cxs h THR 5 Ca 0.04 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2cxs h THR 5 Cb 0.29 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2cxs h THR 5 CO 0.00 0.31 0.00 0.54 -0.25 0.00 0.00 175.52 176.13 2cxs n ARG 6 N -3.47 0.22 -2.47 4.72 1.74 -0.52 -4.75 116.66 112.12 2cxs n ARG 6 Ca -0.00 0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.86 2cxs n ARG 6 Cb 0.49 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 2cxs n ARG 6 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2cxs s ASN 7 N -4.29 7.05 0.36 0.55 3.84 -0.90 -4.94 114.94 116.61 2cxs s ASN 7 Ca 0.10 1.78 0.06 0.00 0.21 0.00 0.00 52.86 55.02 2cxs s ASN 7 Cb 0.13 -2.56 0.68 0.00 -0.55 0.00 0.00 41.25 38.95 2cxs s ASN 7 CO 0.56 -0.59 1.89 1.55 -2.79 0.00 0.00 177.10 177.72 2cxs h PRO 8 N 7.50 0.40 -0.47 0.43 0.13 -1.88 -1.94 132.00 136.16 2cxs h PRO 8 Ca -0.33 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2cxs h PRO 8 Cb 1.15 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2cxs h PRO 8 CO 0.89 0.48 -0.01 1.96 -0.23 0.00 0.00 178.00 181.08 2cxs h GLN 9 N 0.39 0.79 -0.27 0.86 7.50 -1.94 -1.44 115.11 121.00 2cxs h GLN 9 Ca 0.08 -0.22 -0.07 0.00 0.50 0.00 0.00 58.65 58.94 2cxs h GLN 9 Cb 0.35 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 2cxs h GLN 9 CO 0.02 0.81 -0.11 0.35 -1.50 0.00 0.00 178.83 178.39 2cxs h PHE 10 N 0.74 0.64 -0.31 2.96 3.57 -1.68 -2.06 116.94 120.79 2cxs h PHE 10 Ca 0.14 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2cxs h PHE 10 Cb 0.47 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2cxs h PHE 10 CO 0.02 0.79 -0.01 1.96 -2.23 0.00 0.00 178.31 178.85 2cxs h GLN 11 N 0.30 0.48 -0.48 1.11 1.08 -1.23 0.01 115.11 116.38 2cxs h GLN 11 Ca 0.06 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2cxs h GLN 11 Cb 0.61 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2cxs h GLN 11 CO 0.04 0.52 0.15 -0.22 -0.95 0.00 0.00 178.83 178.36 2cxs h LYS 12 N 0.47 0.75 -0.30 1.46 3.64 -1.21 -0.68 116.57 120.70 2cxs h LYS 12 Ca 0.10 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2cxs h LYS 12 Cb 0.32 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2cxs h LYS 12 CO 0.01 0.71 0.16 1.25 -2.27 0.00 0.00 179.45 179.31 2cxs h LEU 13 N 0.64 0.38 -0.58 5.20 5.85 -0.74 -0.97 115.31 125.10 2cxs h LEU 13 Ca 0.15 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2cxs h LEU 13 Cb 0.27 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2cxs h LEU 13 CO -0.00 0.37 0.22 0.25 -0.34 0.00 0.00 178.44 178.93 2cxs h LEU 14 N 0.36 0.81 -0.60 2.25 5.85 -0.90 -0.12 115.31 122.96 2cxs h LEU 14 Ca 0.10 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2cxs h LEU 14 Cb 0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2cxs h LEU 14 CO -0.02 0.77 0.30 -0.08 -0.34 0.00 0.00 178.44 179.08 2cxs h GLU 15 N 0.80 0.85 -0.55 1.25 4.22 -1.03 -1.13 114.58 118.99 2cxs h GLU 15 Ca 0.19 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.53 2cxs h GLU 15 Cb 0.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2cxs h GLU 15 CO -0.01 0.68 0.35 2.35 -2.18 0.00 0.00 179.01 180.19 2cxs h TRP 16 N 0.81 0.66 -0.28 0.92 7.01 -0.87 -1.84 115.95 122.37 2cxs h TRP 16 Ca 0.21 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2cxs h TRP 16 Cb 0.09 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 2cxs h TRP 16 CO -0.00 0.40 0.10 1.25 -2.79 0.00 0.00 178.44 177.40 2cxs h HIS 17 N 0.71 0.17 -0.82 2.65 2.76 -0.64 0.15 115.15 120.13 2cxs h HIS 17 Ca 0.21 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 2cxs h HIS 17 Cb -0.04 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 28.82 2cxs h HIS 17 CO -0.05 0.08 0.51 0.00 -1.30 0.00 0.00 177.93 177.17 2cxs h ARG 18 N 0.22 0.92 0.06 5.26 3.08 -0.91 -1.44 114.38 121.57 2cxs h ARG 18 Ca 0.12 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 2cxs h ARG 18 Cb 0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2cxs h ARG 18 CO -0.12 0.61 -1.23 0.00 -1.07 0.00 0.00 179.97 178.15 2cxs h ALA 19 N 1.38 0.30 0.00 0.04 0.00 -0.99 -3.43 119.26 116.57 2cxs h ALA 19 Ca 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2cxs h ALA 19 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2cxs h ALA 19 CO -0.15 1.18 -0.91 0.09 0.00 0.00 0.00 179.25 179.46 2cxs n ASN 20 N -3.39 4.56 -0.01 0.00 3.02 0.48 -4.81 115.26 115.11 2cxs n ASN 20 Ca -0.07 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.54 2cxs n ASN 20 Cb 0.99 0.78 0.45 0.00 -0.61 0.00 0.00 39.78 41.40 2cxs n ASN 20 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2cxs h SER 21 N 0.00 0.42 0.20 6.41 4.64 -1.37 -0.39 113.55 123.46 2cxs h SER 21 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2cxs h SER 21 Cb 0.26 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2cxs h SER 21 CO 0.00 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 2cxs h ALA 22 N 1.75 1.00 -0.01 5.18 0.00 -1.87 -1.84 119.26 123.45 2cxs h ALA 22 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2cxs h ALA 22 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2cxs h ALA 22 CO -0.04 0.00 -0.10 0.09 0.00 0.00 0.00 179.25 179.20 2cxs n ASN 23 N -2.90 1.53 -4.58 0.00 5.03 -0.16 -4.81 115.26 109.37 2cxs n ASN 23 Ca -0.02 -1.37 -0.43 0.00 0.87 0.00 0.00 54.58 53.64 2cxs n ASN 23 Cb 0.11 0.06 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 2cxs n ASN 23 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2cxs s LEU 24 N -2.17 3.98 -0.21 3.41 1.43 -0.70 -5.00 118.68 119.43 2cxs s LEU 24 Ca 0.32 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2cxs s LEU 24 Cb 0.20 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 43.24 2cxs s LEU 24 CO 0.40 -0.97 -0.02 -0.54 0.23 0.00 0.00 176.35 175.44 2cxs s LYS 25 N 3.65 1.28 0.16 1.70 1.02 -1.26 -5.05 119.74 121.24 2cxs s LYS 25 Ca 0.38 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 2cxs s LYS 25 Cb -0.11 -2.33 0.08 0.00 -0.52 0.00 0.00 37.83 34.96 2cxs s LYS 25 CO 0.23 -0.58 1.75 -0.07 -0.92 0.00 0.00 175.35 175.76 2cxs h LEU 26 N 8.08 0.16 -0.60 3.17 3.38 -1.92 0.35 115.31 127.93 2cxs h LEU 26 Ca -0.18 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.91 2cxs h LEU 26 Cb 1.09 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2cxs h LEU 26 CO 0.39 0.13 0.24 -0.09 0.09 0.00 0.00 178.44 179.20 2cxs h ARG 27 N 0.31 0.42 -0.17 1.13 2.43 -1.91 -1.63 114.38 114.96 2cxs h ARG 27 Ca 0.18 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2cxs h ARG 27 Cb 0.15 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2cxs h ARG 27 CO -0.18 0.28 -0.60 0.93 -1.51 0.00 0.00 179.97 178.89 2cxs h GLU 28 N 0.44 0.57 -0.65 0.20 5.08 -1.80 -2.33 114.58 116.08 2cxs h GLU 28 Ca 0.30 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2cxs h GLU 28 Cb 0.34 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2cxs h GLU 28 CO -0.28 1.00 0.40 -0.07 -1.00 0.00 0.00 179.01 179.06 2cxs h LEU 29 N 0.42 0.66 -0.42 1.33 3.38 -0.41 -1.48 115.31 118.79 2cxs h LEU 29 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2cxs h LEU 29 Cb 1.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2cxs h LEU 29 CO 0.11 0.46 -0.41 -0.26 0.09 0.00 0.00 178.44 178.44 2cxs h PHE 30 N 0.79 1.07 -0.64 1.13 -1.00 -1.25 -2.92 116.94 114.11 2cxs h PHE 30 Ca 0.26 -0.33 -0.07 0.00 2.81 0.00 0.00 57.97 60.64 2cxs h PHE 30 Cb 0.01 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 2cxs h PHE 30 CO -0.05 1.14 0.12 0.93 -1.61 0.00 0.00 178.31 178.85 2cxs h GLU 31 N 0.72 1.03 0.00 1.51 4.39 -1.21 -3.08 114.58 117.93 2cxs h GLU 31 Ca 0.05 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2cxs h GLU 31 Cb 0.99 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2cxs h GLU 31 CO 0.10 0.93 -0.04 0.00 -1.16 0.00 0.00 179.01 178.84 2cxs h ALA 32 N 1.16 0.98 -2.59 3.43 0.00 -1.26 -3.42 119.26 117.55 2cxs h ALA 32 Ca 0.20 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.56 2cxs h ALA 32 Cb 0.39 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.79 2cxs h ALA 32 CO 0.01 0.05 -0.77 0.34 0.00 0.00 0.00 179.25 178.88 2cxs s ASP 33 N -6.02 2.99 0.38 0.00 2.15 -1.11 -4.99 116.67 110.07 2cxs s ASP 33 Ca 0.04 -1.48 0.27 0.00 0.43 0.00 0.00 52.55 51.81 2cxs s ASP 33 Cb 0.07 -0.19 1.37 0.00 -0.30 0.00 0.00 42.92 43.87 2cxs s ASP 33 CO 0.62 -0.39 1.81 -0.65 -0.17 0.00 0.00 175.17 176.40 2cxs h PRO 34 N 7.93 0.00 -0.35 4.34 0.11 -1.83 -2.22 132.00 139.98 2cxs h PRO 34 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2cxs h PRO 34 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2cxs h PRO 34 CO 0.36 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.54 2cxs n GLU 35 N -2.44 2.06 -0.04 1.05 -0.58 -1.26 -4.56 120.64 114.86 2cxs n GLU 35 Ca -0.01 -1.61 -0.09 0.00 -0.42 0.00 0.00 57.16 55.03 2cxs n GLU 35 Cb 0.09 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 2cxs n GLU 35 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2cxs h ARG 36 N 2.92 0.12 -0.37 3.49 2.43 -1.75 -1.08 114.38 120.14 2cxs h ARG 36 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2cxs h ARG 36 Cb 0.65 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2cxs h ARG 36 CO 0.00 0.08 0.08 0.35 -1.51 0.00 0.00 179.97 178.97 2cxs h PHE 37 N 0.13 0.13 -0.41 2.20 3.57 -1.85 -1.56 116.94 119.15 2cxs h PHE 37 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2cxs h PHE 37 Cb 0.08 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2cxs h PHE 37 CO -0.14 0.02 0.25 -0.91 -2.23 0.00 0.00 178.31 175.30 2cxs h ASN 38 N 0.20 0.48 0.90 0.41 2.35 -1.71 -2.74 115.58 115.46 2cxs h ASN 38 Ca 0.18 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2cxs h ASN 38 Cb 0.20 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2cxs h ASN 38 CO -0.23 0.36 -0.68 0.78 -1.65 0.00 0.00 177.43 176.01 2cxs h ASN 39 N 0.55 0.00 -0.97 5.81 2.35 -0.80 -3.37 115.58 119.16 2cxs h ASN 39 Ca 0.15 -0.18 -0.46 0.00 -0.55 0.00 0.00 56.30 55.25 2cxs h ASN 39 Cb -0.03 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 37.92 2cxs h ASN 39 CO -0.03 0.09 -0.93 0.49 -1.65 0.00 0.00 177.43 175.40 2cxs n PHE 40 N -2.21 2.34 -3.70 1.19 3.01 -0.63 -5.04 117.46 112.42 2cxs n PHE 40 Ca 0.03 -2.60 -0.13 0.00 1.01 0.00 0.00 57.45 55.77 2cxs n PHE 40 Cb 0.46 -0.25 -0.07 0.00 -0.01 0.00 0.00 39.48 39.61 2cxs n PHE 40 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2cxs s SER 41 N -3.53 -0.23 -0.14 4.37 1.04 -1.11 -1.50 113.70 112.60 2cxs s SER 41 Ca 0.40 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2cxs s SER 41 Cb 0.40 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.94 2cxs s SER 41 CO -0.05 -0.62 -0.13 -0.76 0.98 0.00 0.00 173.24 172.66 2cxs s LEU 42 N -1.93 1.62 -0.57 2.42 1.43 -0.03 -4.97 118.68 116.65 2cxs s LEU 42 Ca -0.06 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 2cxs s LEU 42 Cb -0.01 -1.13 0.14 0.00 0.03 0.00 0.00 46.19 45.22 2cxs s LEU 42 CO -0.02 -0.07 0.49 0.21 0.23 0.00 0.00 176.35 177.20 2cxs s ASN 43 N 1.52 6.09 -0.24 2.29 3.84 -1.26 -0.42 114.94 126.75 2cxs s ASN 43 Ca 0.05 -2.03 -0.20 0.00 0.21 0.00 0.00 52.86 50.90 2cxs s ASN 43 Cb -0.13 -2.13 -0.02 0.00 -0.55 0.00 0.00 41.25 38.42 2cxs s ASN 43 CO -0.10 -0.74 0.59 -0.76 -2.79 0.00 0.00 177.10 173.30 2cxs s LEU 44 N 1.21 4.08 -0.44 3.21 1.43 0.15 -4.95 118.68 123.37 2cxs s LEU 44 Ca 0.07 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 53.67 2cxs s LEU 44 Cb -0.25 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.20 2cxs s LEU 44 CO -0.00 -0.32 0.48 0.21 0.23 0.00 0.00 176.35 176.95 2cxs s ASN 45 N 1.42 6.20 0.00 2.29 2.47 -1.26 -0.98 114.94 125.09 2cxs s ASN 45 Ca 0.25 -0.76 0.27 0.00 0.42 0.00 0.00 52.86 53.04 2cxs s ASN 45 Cb -0.16 -2.24 0.96 0.00 -1.45 0.00 0.00 41.25 38.36 2cxs s ASN 45 CO 0.09 -0.66 1.69 0.35 -3.72 0.00 0.00 177.10 174.85 2cxs n THR 46 N 5.47 0.00 -0.76 -5.21 -2.24 -0.76 -4.91 114.28 105.87 2cxs n THR 46 Ca -0.07 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2cxs n THR 46 Cb 0.47 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2cxs n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2cxs n ASN 47 N -0.81 -0.06 -2.15 3.42 3.02 -1.26 -4.77 115.26 112.66 2cxs n ASN 47 Ca 0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.63 2cxs n ASN 47 Cb 0.32 -1.22 0.05 0.00 -0.61 0.00 0.00 39.78 38.32 2cxs n ASN 47 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2cxs n HIS 48 N -2.01 1.25 0.00 3.10 8.25 -1.26 -5.09 115.22 119.46 2cxs n HIS 48 Ca 0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 57.72 55.69 2cxs n HIS 48 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 2cxs n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cxs n GLY 49 N -0.47 3.13 3.73 -1.41 0.00 -1.26 -4.80 105.19 104.11 2cxs n GLY 49 Ca 0.17 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 2cxs n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cxs s HIS 50 N -2.96 3.16 -0.21 1.61 0.09 -1.26 -1.82 115.29 113.90 2cxs s HIS 50 Ca 0.00 0.12 0.02 0.00 -0.00 0.00 0.00 55.06 55.19 2cxs s HIS 50 Cb 0.00 -1.68 0.04 0.00 -0.00 0.00 0.00 32.58 30.94 2cxs s HIS 50 CO 0.00 0.50 -0.15 0.42 -0.00 0.00 0.00 174.74 175.51 2cxs s ILE 51 N -1.19 2.04 -0.34 0.60 1.01 -0.15 -1.61 121.20 121.56 2cxs s ILE 51 Ca 0.23 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 2cxs s ILE 51 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 2cxs s ILE 51 CO 0.14 0.28 0.35 -0.22 0.00 0.00 0.00 174.94 175.48 2cxs s LEU 52 N 1.24 4.42 -0.53 2.97 2.96 0.14 -0.68 118.68 129.19 2cxs s LEU 52 Ca -0.01 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 2cxs s LEU 52 Cb -0.16 -2.32 0.13 0.00 0.50 0.00 0.00 46.19 44.34 2cxs s LEU 52 CO -0.09 -0.32 0.46 -0.69 -1.32 0.00 0.00 176.35 174.40 2cxs s VAL 53 N 1.98 4.92 -0.45 1.68 1.01 0.44 -1.18 120.40 128.79 2cxs s VAL 53 Ca 0.11 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.29 2cxs s VAL 53 Cb -0.17 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.09 2cxs s VAL 53 CO 0.11 -0.85 0.40 -0.62 0.00 0.00 0.00 175.10 174.15 2cxs s ASP 54 N 3.24 6.15 -0.19 3.32 2.15 0.13 -0.85 116.67 130.63 2cxs s ASP 54 Ca 0.05 -1.08 0.16 0.00 0.43 0.00 0.00 52.55 52.11 2cxs s ASP 54 Cb -0.28 -2.19 0.56 0.00 -0.30 0.00 0.00 42.92 40.70 2cxs s ASP 54 CO 0.01 -0.61 1.46 0.00 -0.17 0.00 0.00 175.17 175.86 2cxs n TYR 55 N 5.35 1.06 0.22 -5.34 0.18 -0.56 -1.40 117.16 116.67 2cxs n TYR 55 Ca -0.11 -0.89 0.10 0.00 1.88 0.00 0.00 57.90 58.88 2cxs n TYR 55 Cb 0.45 -0.34 0.45 0.00 -0.38 0.00 0.00 39.34 39.52 2cxs n TYR 55 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2cxs h SER 56 N 1.97 0.00 -0.30 9.48 4.64 -1.59 -2.94 113.55 124.81 2cxs h SER 56 Ca 0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 2cxs h SER 56 Cb 1.51 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.52 2cxs h SER 56 CO 0.26 0.22 0.17 0.29 -0.87 0.00 0.00 176.83 176.90 2cxs n LYS 57 N -3.37 1.58 -3.97 4.77 5.02 -1.26 -4.87 118.16 116.07 2cxs n LYS 57 Ca 0.00 -0.99 -0.23 0.00 -2.02 0.00 0.00 58.31 55.08 2cxs n LYS 57 Cb 0.43 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2cxs n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cxs s ASN 58 N 0.15 6.29 -1.47 4.39 -0.87 -1.11 -2.04 114.94 120.28 2cxs s ASN 58 Ca 0.18 0.09 -0.12 0.00 -1.57 0.00 0.00 52.86 51.45 2cxs s ASN 58 Cb 0.15 -1.86 0.03 0.00 -0.02 0.00 0.00 41.25 39.55 2cxs s ASN 58 CO 0.04 -0.02 2.36 0.18 -2.57 0.00 0.00 177.10 177.09 2cxs n LEU 59 N -1.08 7.33 -4.01 0.60 4.77 -1.26 -4.85 117.00 118.49 2cxs n LEU 59 Ca -0.08 -4.28 -0.08 0.00 -0.03 0.00 0.00 56.01 51.53 2cxs n LEU 59 Cb 0.56 -1.60 -0.10 0.00 -2.33 0.00 0.00 43.42 39.94 2cxs n LEU 59 CO 0.46 1.40 -0.33 0.68 -1.33 0.00 0.00 177.39 178.27 2cxs s VAL 60 N 2.46 0.15 0.46 4.08 -7.23 -1.26 -5.07 120.40 113.98 2cxs s VAL 60 Ca 0.52 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2cxs s VAL 60 Cb 0.15 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 2cxs s VAL 60 CO -0.07 -0.68 0.06 -0.94 -0.31 0.00 0.00 175.10 173.16 2cxs s SER 61 N -2.05 3.49 0.24 4.85 1.04 -1.26 -5.00 113.70 115.00 2cxs s SER 61 Ca -0.07 -1.64 -0.05 0.00 0.48 0.00 0.00 55.95 54.68 2cxs s SER 61 Cb -0.03 0.44 0.40 0.00 0.10 0.00 0.00 66.02 66.94 2cxs s SER 61 CO -0.05 -0.85 1.76 0.50 0.98 0.00 0.00 173.24 175.58 2cxs h LYS 62 N 1.59 0.54 -0.46 4.02 3.64 -1.99 -1.63 116.57 122.27 2cxs h LYS 62 Ca -0.40 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2cxs h LYS 62 Cb 1.29 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2cxs h LYS 62 CO 0.67 0.36 0.27 0.93 -2.27 0.00 0.00 179.45 179.40 2cxs h GLU 63 N 0.55 0.64 -0.34 1.90 5.08 -1.99 -0.86 114.58 119.56 2cxs h GLU 63 Ca 0.39 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2cxs h GLU 63 Cb 0.49 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2cxs h GLU 63 CO -0.33 0.49 0.19 0.28 -1.00 0.00 0.00 179.01 178.65 2cxs h VAL 64 N 0.61 1.13 -0.80 3.13 2.07 -1.83 -1.08 116.25 119.49 2cxs h VAL 64 Ca 0.16 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2cxs h VAL 64 Cb 0.03 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2cxs h VAL 64 CO -0.03 0.13 0.34 0.24 0.02 0.00 0.00 177.57 178.28 2cxs h MET 65 N 0.43 1.17 -0.50 1.57 2.86 -1.12 -0.76 114.93 118.59 2cxs h MET 65 Ca 0.12 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2cxs h MET 65 Cb 0.04 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2cxs h MET 65 CO -0.02 0.93 0.31 1.96 1.06 0.00 0.00 176.91 181.15 2cxs h GLN 66 N 1.15 0.68 -0.73 1.72 4.20 -0.92 -0.86 115.11 120.34 2cxs h GLN 66 Ca 0.27 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2cxs h GLN 66 Cb 0.18 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2cxs h GLN 66 CO -0.03 0.49 0.24 0.52 -0.67 0.00 0.00 178.83 179.38 2cxs h MET 67 N 0.67 1.14 -0.37 1.46 2.86 -0.86 -1.31 114.93 118.52 2cxs h MET 67 Ca 0.18 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2cxs h MET 67 Cb -0.02 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2cxs h MET 67 CO -0.03 0.96 0.07 -0.07 1.06 0.00 0.00 176.91 178.90 2cxs h LEU 68 N 1.08 0.59 -0.66 1.22 3.38 -0.90 -0.98 115.31 119.04 2cxs h LEU 68 Ca 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2cxs h LEU 68 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2cxs h LEU 68 CO -0.01 0.69 0.28 0.58 0.09 0.00 0.00 178.44 180.07 2cxs h VAL 69 N 0.46 1.23 -0.94 1.22 2.07 -1.05 -1.23 116.25 118.02 2cxs h VAL 69 Ca 0.12 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2cxs h VAL 69 Cb 0.34 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2cxs h VAL 69 CO 0.01 0.28 0.60 -0.33 0.02 0.00 0.00 177.57 178.15 2cxs h GLU 70 N 0.92 1.26 -0.47 1.57 5.08 -1.12 -1.73 114.58 120.10 2cxs h GLU 70 Ca 0.22 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2cxs h GLU 70 Cb 0.18 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2cxs h GLU 70 CO -0.02 0.85 0.19 1.25 -1.00 0.00 0.00 179.01 180.28 2cxs h LEU 71 N 1.29 0.65 -0.79 1.33 5.85 -0.77 -0.39 115.31 122.47 2cxs h LEU 71 Ca 0.34 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2cxs h LEU 71 Cb -0.11 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2cxs h LEU 71 CO -0.07 0.64 0.49 0.00 -0.34 0.00 0.00 178.44 179.16 2cxs h ALA 72 N 1.03 1.06 -0.32 1.25 0.00 -0.85 -0.01 119.26 121.41 2cxs h ALA 72 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2cxs h ALA 72 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2cxs h ALA 72 CO -0.01 0.27 0.07 0.87 0.00 0.00 0.00 179.25 180.44 2cxs h LYS 73 N 0.94 0.52 0.00 0.00 1.57 -1.07 -2.58 116.57 115.94 2cxs h LYS 73 Ca 0.33 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2cxs h LYS 73 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2cxs h LYS 73 CO -0.14 0.60 -0.12 1.03 -0.57 0.00 0.00 179.45 180.25 2cxs h SER 74 N 0.36 0.00 -0.06 0.86 0.87 -0.68 -1.89 113.55 113.01 2cxs h SER 74 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2cxs h SER 74 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2cxs h SER 74 CO 0.00 0.12 0.00 0.54 -0.53 0.00 0.00 176.83 176.96 2cxs n ARG 75 N -4.27 1.51 -2.76 2.24 5.12 -0.05 -4.95 116.66 113.50 2cxs n ARG 75 Ca -0.03 -0.75 -0.12 0.00 -1.93 0.00 0.00 57.85 55.03 2cxs n ARG 75 Cb 0.19 -1.43 0.02 0.00 -1.16 0.00 0.00 32.46 30.09 2cxs n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cxs n GLY 76 N 1.09 0.10 0.17 -0.13 0.00 -0.71 -4.79 105.19 100.91 2cxs n GLY 76 Ca 0.18 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2cxs n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2cxs h VAL 77 N -0.90 1.06 -0.24 1.61 2.07 -1.68 -1.84 116.25 116.32 2cxs h VAL 77 Ca -0.28 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2cxs h VAL 77 Cb 1.19 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2cxs h VAL 77 CO 0.29 0.09 0.13 -0.33 0.02 0.00 0.00 177.57 177.77 2cxs h GLU 78 N 0.48 0.34 -0.73 1.57 5.08 -1.91 -0.12 114.58 119.29 2cxs h GLU 78 Ca 0.15 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2cxs h GLU 78 Cb -0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2cxs h GLU 78 CO -0.06 0.31 0.37 0.00 -1.00 0.00 0.00 179.01 178.63 2cxs h ALA 79 N 1.01 0.94 -0.57 3.43 0.00 -1.96 -1.04 119.26 121.08 2cxs h ALA 79 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2cxs h ALA 79 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2cxs h ALA 79 CO -0.01 0.48 0.25 0.00 0.00 0.00 0.00 179.25 179.97 2cxs h ALA 80 N 1.19 0.73 -0.13 0.00 0.00 -1.03 -1.22 119.26 118.80 2cxs h ALA 80 Ca 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2cxs h ALA 80 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2cxs h ALA 80 CO -0.04 0.32 0.05 -0.09 0.00 0.00 0.00 179.25 179.49 2cxs h ARG 81 N 0.77 0.12 -0.83 0.00 2.43 -0.79 -1.41 114.38 114.67 2cxs h ARG 81 Ca 0.19 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2cxs h ARG 81 Cb 0.15 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2cxs h ARG 81 CO -0.02 0.08 0.55 -0.44 -1.51 0.00 0.00 179.97 178.63 2cxs h ASP 82 N 0.12 0.92 -0.68 -3.80 3.32 -0.97 -1.40 116.42 113.94 2cxs h ASP 82 Ca 0.05 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2cxs h ASP 82 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2cxs h ASP 82 CO -0.05 0.65 0.11 0.78 -1.72 0.00 0.00 179.24 179.01 2cxs h ASN 83 N 1.07 1.08 0.02 6.45 2.35 -0.92 -1.20 115.58 124.43 2cxs h ASN 83 Ca 0.32 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2cxs h ASN 83 Cb -0.04 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.05 2cxs h ASN 83 CO -0.08 1.06 -0.01 -0.03 -1.65 0.00 0.00 177.43 176.72 2cxs h MET 84 N 1.05 -0.03 0.00 0.81 4.05 -0.60 -1.78 114.93 118.43 2cxs h MET 84 Ca 0.21 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 2cxs h MET 84 Cb 0.44 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2cxs h MET 84 CO 0.01 0.00 -0.12 0.74 0.23 0.00 0.00 176.91 177.77 2cxs h PHE 85 N -0.06 0.00 -0.01 1.39 -1.00 -1.09 -2.74 116.94 113.44 2cxs h PHE 85 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2cxs h PHE 85 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2cxs h PHE 85 CO -0.07 0.12 -0.22 -1.13 -1.61 0.00 0.00 178.31 175.40 2cxs n SER 86 N -3.56 1.15 0.00 2.17 3.41 -0.47 -4.94 113.62 111.38 2cxs n SER 86 Ca -0.01 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2cxs n SER 86 Cb 0.26 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2cxs n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cxs n GLY 87 N 1.32 0.71 3.74 5.00 0.00 -1.03 -4.22 105.19 110.71 2cxs n GLY 87 Ca 0.13 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 2cxs n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cxs s SER 88 N -2.18 5.03 -1.40 1.61 0.01 -0.68 -4.70 113.70 111.40 2cxs s SER 88 Ca 0.00 2.65 -0.11 0.00 1.31 0.00 0.00 55.95 59.79 2cxs s SER 88 Cb 0.00 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.69 2cxs s SER 88 CO 0.00 -1.72 2.15 0.29 0.41 0.00 0.00 173.24 174.37 2cxs n LYS 89 N -1.42 3.30 0.12 12.44 5.02 -1.26 -4.16 118.16 132.20 2cxs n LYS 89 Ca 0.13 -2.98 0.13 0.00 -2.02 0.00 0.00 58.31 53.57 2cxs n LYS 89 Cb 0.47 -3.08 0.45 0.00 -0.02 0.00 0.00 35.03 32.84 2cxs n LYS 89 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2cxs n ILE 90 N 4.13 0.70 -2.52 -0.18 -5.35 -1.16 -3.98 119.36 111.00 2cxs n ILE 90 Ca 0.50 -0.06 -0.41 0.00 -0.27 0.00 0.00 62.75 62.51 2cxs n ILE 90 Cb 0.36 -0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 37.40 2cxs n ILE 90 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2cxs s ASN 91 N -4.44 6.54 0.39 7.28 3.84 -0.79 -4.83 114.94 122.93 2cxs s ASN 91 Ca 0.08 -1.99 0.21 0.00 0.21 0.00 0.00 52.86 51.37 2cxs s ASN 91 Cb 0.11 -2.58 0.44 0.00 -0.55 0.00 0.00 41.25 38.68 2cxs s ASN 91 CO 0.51 -1.47 1.63 0.10 -2.79 0.00 0.00 177.10 175.07 2cxs h TYR 92 N 8.60 0.00 0.00 0.43 -0.00 -1.83 -0.32 116.97 123.85 2cxs h TYR 92 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.97 2cxs h TYR 92 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.64 2cxs h TYR 92 CO 1.36 0.22 -0.44 1.79 -0.00 0.00 0.00 178.16 181.08 2cxs h THR 93 N 0.00 0.79 -0.01 -0.90 1.35 -1.92 -3.27 112.91 108.95 2cxs h THR 93 Ca -0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2cxs h THR 93 Cb 1.04 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2cxs h THR 93 CO 0.03 0.43 -0.12 -0.62 -0.25 0.00 0.00 175.52 175.00 2cxs n GLU 94 N -3.26 1.33 -3.79 4.72 1.02 -1.14 -5.01 120.64 114.52 2cxs n GLU 94 Ca 0.02 -1.07 -0.31 0.00 -0.02 0.00 0.00 57.16 55.78 2cxs n GLU 94 Cb 0.68 -1.23 0.02 0.00 -0.02 0.00 0.00 31.44 30.89 2cxs n GLU 94 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2cxs n ASP 95 N 0.37 -3.74 -4.22 1.62 2.03 -0.22 -5.01 116.55 107.38 2cxs n ASP 95 Ca 0.07 -1.04 -0.21 0.00 0.52 0.00 0.00 54.79 54.13 2cxs n ASP 95 Cb 0.32 -3.15 -0.12 0.00 -0.72 0.00 0.00 41.12 37.45 2cxs n ASP 95 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2cxs s ARG 96 N -6.27 1.00 0.93 -0.67 0.52 -0.66 -5.02 118.95 108.77 2cxs s ARG 96 Ca 0.34 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 2cxs s ARG 96 Cb -0.13 -1.12 0.15 0.00 0.52 0.00 0.00 34.95 34.36 2cxs s ARG 96 CO 0.88 0.26 1.10 0.00 0.02 0.00 0.00 175.30 177.55 2cxs s ALA 97 N -1.16 1.40 -0.33 2.13 0.00 -1.26 -1.89 121.76 120.65 2cxs s ALA 97 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 2cxs s ALA 97 Cb -0.10 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 19.98 2cxs s ALA 97 CO 0.03 -2.48 0.12 0.08 0.00 0.00 0.00 175.76 173.52 2cxs s VAL 98 N -2.98 0.95 -0.27 0.00 1.01 -1.26 -4.36 120.40 113.50 2cxs s VAL 98 Ca 0.64 -1.61 0.18 0.00 0.00 0.00 0.00 61.98 61.19 2cxs s VAL 98 Cb -0.18 -1.71 0.49 0.00 0.00 0.00 0.00 36.38 34.98 2cxs s VAL 98 CO 0.57 -0.72 1.13 0.18 0.00 0.00 0.00 175.10 176.26 2cxs n LEU 99 N 4.60 2.57 0.16 3.92 4.77 -0.34 -4.73 117.00 127.96 2cxs n LEU 99 Ca 0.00 -3.53 0.15 0.00 -0.03 0.00 0.00 56.01 52.61 2cxs n LEU 99 Cb 0.41 0.23 0.73 0.00 -2.33 0.00 0.00 43.42 42.45 2cxs n LEU 99 CO 0.14 1.35 1.13 1.12 -1.33 0.00 0.00 177.39 179.80 2cxs h HIS 100 N 2.46 0.00 0.00 -1.77 2.07 -1.87 -1.05 115.15 114.99 2cxs h HIS 100 Ca 0.01 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.49 2cxs h HIS 100 Cb 1.36 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.33 2cxs h HIS 100 CO 0.60 0.00 -0.20 -0.39 -3.07 0.00 0.00 177.93 174.88 2cxs h VAL 101 N 0.00 1.01 -0.24 6.12 -1.51 -1.95 -2.31 116.25 117.37 2cxs h VAL 101 Ca 0.11 -0.70 -0.09 0.00 -1.23 0.00 0.00 66.70 64.79 2cxs h VAL 101 Cb 0.47 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2cxs h VAL 101 CO -0.00 0.19 -0.24 0.00 -1.23 0.00 0.00 177.57 176.29 2cxs h ALA 102 N 1.80 1.14 -0.37 5.19 0.00 -1.56 -2.55 119.26 122.92 2cxs h ALA 102 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2cxs h ALA 102 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2cxs h ALA 102 CO 0.03 0.54 0.25 -0.07 0.00 0.00 0.00 179.25 179.99 2cxs h LEU 103 N 0.40 0.29 -3.15 0.00 3.38 -1.40 -2.16 115.31 112.68 2cxs h LEU 103 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2cxs h LEU 103 Cb 0.64 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2cxs h LEU 103 CO 0.05 0.20 -0.02 -2.11 0.09 0.00 0.00 178.44 176.65 2cxs n ARG 104 N -4.48 2.15 -2.25 1.13 0.00 -1.17 -4.92 116.66 107.13 2cxs n ARG 104 Ca 0.04 -2.77 -0.33 0.00 -0.00 0.00 0.00 57.85 54.79 2cxs n ARG 104 Cb 0.19 -1.70 -0.04 0.00 -0.00 0.00 0.00 32.46 30.91 2cxs n ARG 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2cxs s ASN 105 N -2.39 5.66 0.53 2.89 2.47 -0.81 -4.38 114.94 118.90 2cxs s ASN 105 Ca 0.38 -1.77 0.30 0.00 0.42 0.00 0.00 52.86 52.19 2cxs s ASN 105 Cb 0.32 -2.58 1.47 0.00 -1.45 0.00 0.00 41.25 39.01 2cxs s ASN 105 CO 0.06 -2.39 2.06 0.03 -3.72 0.00 0.00 177.10 173.14 2cxs h ARG 106 N 9.28 0.00 0.00 0.43 2.47 -1.89 -2.12 114.38 122.55 2cxs h ARG 106 Ca 0.27 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 2cxs h ARG 106 Cb 0.93 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2cxs h ARG 106 CO 1.30 0.10 -0.15 0.66 0.56 0.00 0.00 179.97 182.45 2cxs h SER 107 N 0.00 0.00 -0.57 7.04 4.64 -2.00 -3.47 113.55 119.20 2cxs h SER 107 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 2cxs h SER 107 Cb 0.38 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.37 2cxs h SER 107 CO 0.01 0.15 -0.22 0.59 -0.87 0.00 0.00 176.83 176.49 2cxs n ASN 108 N -3.30 -5.48 -4.71 4.97 3.02 -0.80 -4.96 115.26 103.99 2cxs n ASN 108 Ca 0.00 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 2cxs n ASN 108 Cb 0.39 -4.03 -0.03 0.00 -0.61 0.00 0.00 39.78 35.49 2cxs n ASN 108 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2cxs n THR 109 N -2.30 0.06 -1.62 3.41 -1.04 -1.26 -4.88 114.28 106.64 2cxs n THR 109 Ca -0.12 -0.01 -0.46 0.00 -2.04 0.00 0.00 64.05 61.42 2cxs n THR 109 Cb 0.57 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 2cxs n THR 109 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2cxs n PRO 110 N 4.24 1.60 -3.98 -2.82 -0.02 -1.26 -4.96 135.00 127.81 2cxs n PRO 110 Ca 0.16 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 2cxs n PRO 110 Cb 0.35 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 2cxs n PRO 110 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2cxs s ILE 111 N -0.24 1.40 -0.14 4.25 1.01 -1.26 -5.04 121.20 121.19 2cxs s ILE 111 Ca 0.69 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 2cxs s ILE 111 Cb -0.74 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2cxs s ILE 111 CO 0.52 0.38 0.12 -0.54 0.00 0.00 0.00 174.94 175.42 2cxs s LYS 112 N 1.55 3.59 -0.11 2.79 1.02 -1.26 -0.68 119.74 126.64 2cxs s LYS 112 Ca 0.04 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 55.86 2cxs s LYS 112 Cb -0.13 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2cxs s LYS 112 CO -0.10 0.63 -0.16 0.08 -0.92 0.00 0.00 175.35 174.89 2cxs s VAL 113 N -0.61 1.54 -1.46 3.17 1.01 -0.35 -4.33 120.40 119.37 2cxs s VAL 113 Ca 0.12 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2cxs s VAL 113 Cb -0.12 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.91 2cxs s VAL 113 CO 0.02 0.45 0.95 0.47 0.00 0.00 0.00 175.10 176.99 2cxs n ASP 114 N 4.16 -5.47 0.00 3.32 10.43 -1.26 -1.73 116.55 126.00 2cxs n ASP 114 Ca -0.19 -0.58 0.00 0.00 2.57 0.00 0.00 54.79 56.58 2cxs n ASP 114 Cb 0.51 -4.36 0.00 0.00 1.84 0.00 0.00 41.12 39.11 2cxs n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2cxs n GLY 115 N -1.72 0.68 3.20 0.44 0.00 -1.26 -5.01 105.19 101.51 2cxs n GLY 115 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2cxs n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cxs s LYS 116 N -0.21 3.01 0.16 1.61 2.20 -0.70 -5.02 119.74 120.78 2cxs s LYS 116 Ca 0.00 -0.86 -0.32 0.00 -0.36 0.00 0.00 55.97 54.43 2cxs s LYS 116 Cb 0.00 -2.32 -0.11 0.00 -1.51 0.00 0.00 37.83 33.89 2cxs s LYS 116 CO 0.00 0.13 1.79 -3.47 -0.36 0.00 0.00 175.35 173.44 2cxs n ASP 117 N 3.67 4.01 0.06 1.43 2.03 -1.26 -1.21 116.55 125.29 2cxs n ASP 117 Ca -0.19 1.02 0.12 0.00 0.52 0.00 0.00 54.79 56.26 2cxs n ASP 117 Cb 0.53 -1.55 0.26 0.00 -0.72 0.00 0.00 41.12 39.63 2cxs n ASP 117 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2cxs n VAL 118 N 4.41 0.36 -0.22 5.18 0.24 0.15 -4.42 118.33 124.03 2cxs n VAL 118 Ca 0.17 -0.24 -0.07 0.00 -2.04 0.00 0.00 64.34 62.17 2cxs n VAL 118 Cb 0.36 -0.22 0.03 0.00 -1.47 0.00 0.00 33.84 32.55 2cxs n VAL 118 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2cxs h MET 119 N 0.00 0.85 -0.87 7.34 2.86 -1.91 -2.04 114.93 121.16 2cxs h MET 119 Ca 0.00 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.67 2cxs h MET 119 Cb 0.71 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.12 2cxs h MET 119 CO 0.00 0.65 0.49 -1.35 1.06 0.00 0.00 176.91 177.76 2cxs h PRO 120 N 0.83 0.72 -0.09 -0.22 0.11 -1.97 -0.30 132.00 131.08 2cxs h PRO 120 Ca 0.21 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.06 2cxs h PRO 120 Cb 0.05 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.00 2cxs h PRO 120 CO -0.03 0.48 -0.83 0.93 -0.21 0.00 0.00 178.00 178.33 2cxs h GLU 121 N 0.74 0.61 -0.28 1.05 4.39 -1.78 -0.77 114.58 118.54 2cxs h GLU 121 Ca 0.45 -0.54 0.05 0.00 0.34 0.00 0.00 59.36 59.67 2cxs h GLU 121 Cb 0.55 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 2cxs h GLU 121 CO -0.31 1.16 -0.06 0.28 -1.16 0.00 0.00 179.01 178.92 2cxs h VAL 122 N 0.40 0.74 -0.05 3.13 2.07 -0.96 -2.10 116.25 119.47 2cxs h VAL 122 Ca -0.06 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 2cxs h VAL 122 Cb 1.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2cxs h VAL 122 CO 0.16 0.00 -0.58 0.78 0.02 0.00 0.00 177.57 177.95 2cxs h ASN 123 N 0.02 0.20 -0.43 0.57 2.35 -1.00 -1.80 115.58 115.48 2cxs h ASN 123 Ca 0.13 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2cxs h ASN 123 Cb 0.20 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2cxs h ASN 123 CO -0.27 0.74 0.25 -0.09 -1.65 0.00 0.00 177.43 176.41 2cxs h ARG 124 N 0.13 0.58 -0.40 0.81 2.43 -0.92 -0.25 114.38 116.77 2cxs h ARG 124 Ca -0.00 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2cxs h ARG 124 Cb 1.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2cxs h ARG 124 CO 0.09 0.44 -0.22 0.28 -1.51 0.00 0.00 179.97 179.05 2cxs h VAL 125 N 0.56 1.28 -0.83 0.20 2.07 -1.24 -1.37 116.25 116.92 2cxs h VAL 125 Ca 0.15 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.36 2cxs h VAL 125 Cb 0.01 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2cxs h VAL 125 CO -0.03 0.46 0.52 -0.07 0.02 0.00 0.00 177.57 178.47 2cxs h LEU 126 N 0.67 0.84 -0.76 2.57 3.38 -1.18 0.93 115.31 121.77 2cxs h LEU 126 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2cxs h LEU 126 Cb 0.78 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2cxs h LEU 126 CO 0.06 0.56 0.32 0.44 0.09 0.00 0.00 178.44 179.91 2cxs h ASP 127 N 0.99 1.04 -0.53 -0.43 3.32 -0.83 0.06 116.42 120.04 2cxs h ASP 127 Ca 0.35 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2cxs h ASP 127 Cb 0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2cxs h ASP 127 CO -0.15 0.92 0.27 0.50 -1.72 0.00 0.00 179.24 179.07 2cxs h LYS 128 N 1.09 0.76 -0.50 3.56 3.64 -0.56 -1.27 116.57 123.29 2cxs h LYS 128 Ca 0.26 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2cxs h LYS 128 Cb 0.19 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2cxs h LYS 128 CO -0.02 0.61 0.32 0.52 -2.27 0.00 0.00 179.45 178.61 2cxs h MET 129 N 0.72 0.63 -0.18 1.90 2.86 -0.44 -1.10 114.93 119.32 2cxs h MET 129 Ca 0.19 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2cxs h MET 129 Cb 0.09 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2cxs h MET 129 CO -0.03 0.42 0.12 -0.22 1.06 0.00 0.00 176.91 178.26 2cxs h LYS 130 N 0.65 0.24 -0.43 1.72 3.64 -0.74 0.19 116.57 121.84 2cxs h LYS 130 Ca 0.19 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2cxs h LYS 130 Cb -0.05 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2cxs h LYS 130 CO -0.06 0.16 0.25 1.03 -2.27 0.00 0.00 179.45 178.56 2cxs h SER 131 N 0.24 0.52 -0.49 4.20 0.87 -1.09 -1.77 113.55 116.03 2cxs h SER 131 Ca 0.07 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2cxs h SER 131 Cb -0.02 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2cxs h SER 131 CO -0.02 0.44 0.20 0.15 -0.53 0.00 0.00 176.83 177.07 2cxs h PHE 132 N 0.56 0.75 -0.75 2.24 3.57 -0.97 -2.05 116.94 120.29 2cxs h PHE 132 Ca 0.15 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2cxs h PHE 132 Cb 0.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 2cxs h PHE 132 CO -0.03 0.62 0.50 0.00 -2.23 0.00 0.00 178.31 177.17 2cxs h GLN 134 N 1.02 0.61 -0.56 0.00 -0.00 -1.07 -0.02 115.11 115.09 2cxs h GLN 134 Ca 0.28 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.84 2cxs h GLN 134 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.20 2cxs h GLN 134 CO -0.06 0.40 0.14 0.00 0.00 0.00 0.00 178.83 179.31 2cxs h ARG 135 N 0.63 0.89 -0.01 1.69 3.08 -0.90 -1.90 114.38 117.85 2cxs h ARG 135 Ca 0.17 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2cxs h ARG 135 Cb -0.07 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2cxs h ARG 135 CO -0.04 0.83 -0.04 0.28 -1.07 0.00 0.00 179.97 179.92 2cxs h VAL 136 N 0.79 1.54 -0.16 2.04 2.07 -1.08 -0.38 116.25 121.06 2cxs h VAL 136 Ca 0.18 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 2cxs h VAL 136 Cb 0.33 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2cxs h VAL 136 CO 0.00 0.43 -0.24 0.03 0.02 0.00 0.00 177.57 177.81 2cxs h ARG 137 N -0.62 0.29 0.00 1.57 3.08 -1.03 -2.23 114.38 115.44 2cxs h ARG 137 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2cxs h ARG 137 Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2cxs h ARG 137 CO 0.01 0.52 0.00 0.66 -1.07 0.00 0.00 179.97 180.09 2cxs h SER 138 N 0.26 0.00 0.00 7.04 4.64 -1.46 -3.47 113.55 120.57 2cxs h SER 138 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2cxs h SER 138 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2cxs h SER 138 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 2cxs n GLY 139 N 0.17 0.84 0.30 -0.77 0.00 -0.84 -4.96 105.19 99.93 2cxs n GLY 139 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2cxs n GLY 139 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cxs h ASP 140 N 0.00 1.02 -2.71 1.61 3.45 -1.62 -3.42 116.42 114.74 2cxs h ASP 140 Ca 0.00 -0.31 -0.55 0.00 0.43 0.00 0.00 57.03 56.60 2cxs h ASP 140 Cb 0.00 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.48 2cxs h ASP 140 CO 0.00 1.09 1.03 0.86 -1.57 0.00 0.00 179.24 180.65 2cxs s TRP 141 N -4.94 2.26 0.04 4.55 -0.11 -0.21 -5.00 118.94 115.54 2cxs s TRP 141 Ca -0.11 0.45 0.04 0.00 1.22 0.00 0.00 56.10 57.70 2cxs s TRP 141 Cb 0.13 -3.79 -0.04 0.00 -1.50 0.00 0.00 33.47 28.28 2cxs s TRP 141 CO 0.86 -3.18 -0.05 0.15 -4.62 0.00 0.00 176.95 170.11 2cxs s LYS 142 N 3.83 2.51 0.58 5.86 -0.14 -1.26 -3.74 119.74 127.37 2cxs s LYS 142 Ca 0.68 -0.79 -0.10 0.00 -1.36 0.00 0.00 55.97 54.40 2cxs s LYS 142 Cb -0.30 -2.50 0.13 0.00 -1.68 0.00 0.00 37.83 33.49 2cxs s LYS 142 CO 0.25 0.57 0.76 0.41 -0.76 0.00 0.00 175.35 176.58 2cxs n GLY 143 N 1.12 -1.47 0.27 -3.33 0.00 0.63 -4.86 105.19 97.55 2cxs n GLY 143 Ca -0.14 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.39 2cxs n GLY 143 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2cxs h TYR 144 N -1.52 0.00 -0.32 1.61 -0.00 -1.88 -0.34 116.97 114.52 2cxs h TYR 144 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.48 2cxs h TYR 144 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.42 2cxs h TYR 144 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 2cxs n THR 145 N -2.91 0.56 -0.75 -0.90 -2.24 -1.26 -4.98 114.28 101.81 2cxs n THR 145 Ca -0.01 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2cxs n THR 145 Cb 0.19 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2cxs n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cxs n GLY 146 N 1.07 0.90 3.72 3.38 0.00 -0.14 -5.09 105.19 109.03 2cxs n GLY 146 Ca 0.15 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2cxs n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cxs s LYS 147 N -1.72 2.69 0.66 1.61 1.02 -1.26 -4.79 119.74 117.96 2cxs s LYS 147 Ca 0.00 -0.77 -0.17 0.00 0.02 0.00 0.00 55.97 55.06 2cxs s LYS 147 Cb 0.00 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2cxs s LYS 147 CO 0.00 0.56 1.21 -1.12 -0.92 0.00 0.00 175.35 175.07 2cxs s SER 148 N -2.28 4.71 0.05 2.83 0.01 -1.26 -0.27 113.70 117.49 2cxs s SER 148 Ca 0.27 2.36 -0.30 0.00 1.31 0.00 0.00 55.95 59.58 2cxs s SER 148 Cb -0.12 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2cxs s SER 148 CO 0.19 -1.92 1.07 -0.63 0.41 0.00 0.00 173.24 172.37 2cxs s ILE 149 N -1.81 4.42 -0.04 1.44 -1.09 -1.25 -4.72 121.20 118.16 2cxs s ILE 149 Ca 0.76 1.79 0.08 0.00 -2.23 0.00 0.00 60.65 61.04 2cxs s ILE 149 Cb -0.30 -4.15 -0.11 0.00 -1.58 0.00 0.00 42.46 36.32 2cxs s ILE 149 CO 0.40 0.17 0.18 0.35 -1.23 0.00 0.00 174.94 174.80 2cxs n THR 150 N 3.67 0.00 -4.04 2.92 -2.24 -0.25 -4.86 114.28 109.48 2cxs n THR 150 Ca 0.06 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 2cxs n THR 150 Cb 0.49 0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.94 2cxs n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2cxs s ASP 151 N -2.78 0.53 -0.12 3.42 1.11 -1.04 -1.81 116.67 115.99 2cxs s ASP 151 Ca -0.02 -0.06 -0.01 0.00 0.18 0.00 0.00 52.55 52.64 2cxs s ASP 151 Cb 0.05 -0.20 -0.02 0.00 1.07 0.00 0.00 42.92 43.81 2cxs s ASP 151 CO 0.31 -0.03 -0.09 -0.63 1.18 0.00 0.00 175.17 175.91 2cxs s ILE 152 N 0.58 3.44 -0.24 0.77 -1.09 0.99 -0.90 121.20 124.75 2cxs s ILE 152 Ca -0.06 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 2cxs s ILE 152 Cb -0.09 -2.45 0.06 0.00 -1.58 0.00 0.00 42.46 38.40 2cxs s ILE 152 CO -0.01 0.54 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.55 2cxs s ILE 153 N 0.01 1.67 -0.16 2.92 1.09 0.23 -0.20 121.20 126.76 2cxs s ILE 153 Ca -0.02 -1.34 -0.27 0.00 -1.10 0.00 0.00 60.65 57.92 2cxs s ILE 153 Cb -0.14 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.34 2cxs s ILE 153 CO 0.03 -0.11 0.92 0.21 -0.10 0.00 0.00 174.94 175.90 2cxs s ASN 154 N 1.33 7.08 -0.26 3.58 2.47 0.14 -0.24 114.94 129.03 2cxs s ASN 154 Ca -0.06 1.33 -0.04 0.00 0.42 0.00 0.00 52.86 54.51 2cxs s ASN 154 Cb -0.19 -2.50 0.01 0.00 -1.45 0.00 0.00 41.25 37.12 2cxs s ASN 154 CO -0.06 -0.46 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.22 2cxs s ILE 155 N 2.26 3.33 0.00 -5.21 1.01 0.77 -0.57 121.20 122.79 2cxs s ILE 155 Ca 0.43 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2cxs s ILE 155 Cb -0.17 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.63 2cxs s ILE 155 CO 0.13 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2cxs n GLY 156 N 4.76 0.43 3.06 6.18 0.00 -0.81 -0.43 105.19 118.38 2cxs n GLY 156 Ca -0.16 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2cxs n GLY 156 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2cxs s ILE 157 N -2.00 0.37 0.00 -0.61 2.07 -1.26 -3.92 121.20 115.85 2cxs s ILE 157 Ca 0.00 -1.29 0.00 0.00 -1.41 0.00 0.00 60.65 57.95 2cxs s ILE 157 Cb 0.00 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.76 2cxs s ILE 157 CO 0.00 -0.61 0.00 0.61 -1.91 0.00 0.00 174.94 173.03 2cxs n GLY 158 N 1.02 4.00 0.31 1.50 0.00 -1.26 -1.88 105.19 108.88 2cxs n GLY 158 Ca -0.20 0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.06 2cxs n GLY 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2cxs h GLY 159 N 0.00 0.00 -1.68 -0.02 0.00 -1.98 0.11 103.07 99.50 2cxs h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2cxs h GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2cxs n SER 160 N -3.02 2.57 0.03 0.19 7.64 -0.79 -4.50 113.62 115.74 2cxs n SER 160 Ca -0.02 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2cxs n SER 160 Cb 0.15 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2cxs n SER 160 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2cxs n ASP 161 N 0.90 0.11 -0.22 6.43 2.03 -0.29 -4.29 116.55 121.22 2cxs n ASP 161 Ca 0.17 0.10 -0.08 0.00 0.52 0.00 0.00 54.79 55.50 2cxs n ASP 161 Cb 0.43 0.03 0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2cxs n ASP 161 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cxs h LEU 162 N 0.00 0.92 0.93 -2.67 3.38 -1.09 -1.60 115.31 115.18 2cxs h LEU 162 Ca 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2cxs h LEU 162 Cb 0.32 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2cxs h LEU 162 CO 0.00 0.90 -0.45 1.23 0.09 0.00 0.00 178.44 180.21 2cxs h GLY 163 N 0.90 -1.30 0.46 0.83 0.00 -1.79 0.06 103.07 102.22 2cxs h GLY 163 Ca 0.20 0.48 0.12 0.00 0.00 0.00 0.00 47.33 48.13 2cxs h GLY 163 CO -0.00 -0.47 0.59 -2.55 0.00 0.00 0.00 176.54 174.10 2cxs h PRO 164 N -1.29 0.90 0.09 4.80 0.11 -1.86 -0.28 132.00 134.46 2cxs h PRO 164 Ca -0.13 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 2cxs h PRO 164 Cb 0.95 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2cxs h PRO 164 CO 0.21 0.59 -0.04 1.25 -0.21 0.00 0.00 178.00 179.80 2cxs h LEU 165 N 0.92 -0.10 -0.57 2.35 6.46 -1.25 -1.39 115.31 121.74 2cxs h LEU 165 Ca 0.48 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2cxs h LEU 165 Cb 0.48 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2cxs h LEU 165 CO -0.27 0.10 0.34 -0.03 -0.62 0.00 0.00 178.44 177.96 2cxs h MET 166 N -0.30 0.78 -0.23 1.25 4.05 -0.48 -1.66 114.93 118.34 2cxs h MET 166 Ca -0.01 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.20 2cxs h MET 166 Cb 0.26 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2cxs h MET 166 CO 0.02 0.57 -0.37 0.28 0.23 0.00 0.00 176.91 177.64 2cxs h VAL 167 N 0.77 1.32 -0.28 -5.77 2.07 -1.07 -0.56 116.25 112.73 2cxs h VAL 167 Ca 0.21 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.10 2cxs h VAL 167 Cb -0.01 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2cxs h VAL 167 CO -0.04 0.49 -0.06 0.71 0.02 0.00 0.00 177.57 178.70 2cxs h THR 168 N 0.37 1.20 -0.30 2.57 1.35 -1.16 0.23 112.91 117.17 2cxs h THR 168 Ca 0.02 -0.82 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 2cxs h THR 168 Cb 0.96 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2cxs h THR 168 CO 0.08 0.27 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.27 2cxs h GLU 169 N 0.42 0.56 -0.01 4.72 4.39 -1.18 -2.53 114.58 120.94 2cxs h GLU 169 Ca 0.09 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2cxs h GLU 169 Cb 0.37 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2cxs h GLU 169 CO 0.02 0.72 -0.45 0.00 -1.16 0.00 0.00 179.01 178.13 2cxs h ALA 170 N 0.82 1.23 -0.43 3.43 0.00 -0.64 -3.05 119.26 120.62 2cxs h ALA 170 Ca 0.08 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2cxs h ALA 170 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2cxs h ALA 170 CO 0.02 0.57 0.06 1.28 0.00 0.00 0.00 179.25 181.18 2cxs n LEU 171 N -4.00 4.70 -0.32 0.00 4.77 0.03 -4.75 117.00 117.43 2cxs n LEU 171 Ca -0.02 -3.18 0.14 0.00 -0.03 0.00 0.00 56.01 52.92 2cxs n LEU 171 Cb 0.48 -0.63 0.33 0.00 -2.33 0.00 0.00 43.42 41.27 2cxs n LEU 171 CO 0.40 0.79 1.08 0.50 -1.33 0.00 0.00 177.39 178.84 2cxs h LYS 172 N 2.14 0.45 0.00 3.23 1.63 -1.34 -0.14 116.57 122.55 2cxs h LYS 172 Ca 0.10 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2cxs h LYS 172 Cb 1.77 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.30 2cxs h LYS 172 CO 0.41 0.30 0.00 -1.35 -3.45 0.00 0.00 179.45 175.36 2cxs h PRO 173 N 0.47 0.00 -0.54 1.90 0.11 -1.88 -2.10 132.00 129.95 2cxs h PRO 173 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2cxs h PRO 173 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2cxs h PRO 173 CO -0.50 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.95 2cxs n TYR 174 N -2.71 0.72 -0.11 0.65 4.02 -0.06 -4.32 117.16 115.35 2cxs n TYR 174 Ca -0.02 -0.36 0.11 0.00 -0.01 0.00 0.00 57.90 57.62 2cxs n TYR 174 Cb 0.06 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 39.66 2cxs n TYR 174 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2cxs n SER 175 N 1.09 3.72 -4.72 7.72 3.41 -0.79 -4.46 113.62 119.59 2cxs n SER 175 Ca 0.18 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.38 2cxs n SER 175 Cb 0.46 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2cxs n SER 175 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2cxs s LYS 176 N -1.17 4.24 0.00 4.33 1.02 -1.26 -1.64 119.74 125.26 2cxs s LYS 176 Ca 0.44 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.73 2cxs s LYS 176 Cb 0.24 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2cxs s LYS 176 CO 0.32 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2cxs n GLY 177 N 3.33 1.27 3.96 -3.33 0.00 -1.26 -5.04 105.19 104.12 2cxs n GLY 177 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2cxs n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cxs s GLY 178 N -1.81 1.26 0.66 -0.02 0.00 -0.65 -4.91 107.32 101.84 2cxs s GLY 178 Ca 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 2cxs s GLY 178 CO 0.00 -1.11 1.10 2.56 0.00 0.00 0.00 173.10 175.66 2cxs s PRO 179 N -4.10 2.81 0.43 2.90 0.04 -1.26 -4.99 135.00 130.82 2cxs s PRO 179 Ca 0.36 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 2cxs s PRO 179 Cb -0.09 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2cxs s PRO 179 CO 0.31 -1.24 1.40 1.03 0.04 0.00 0.00 177.00 178.54 2cxs s ARG 180 N -4.15 3.82 -0.08 4.56 0.52 -0.75 -4.72 118.95 118.15 2cxs s ARG 180 Ca 0.66 2.36 0.04 0.00 -0.52 0.00 0.00 55.73 58.27 2cxs s ARG 180 Cb -0.20 -2.72 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2cxs s ARG 180 CO 0.42 -0.69 -0.19 0.54 0.02 0.00 0.00 175.30 175.40 2cxs s VAL 181 N -1.21 2.59 0.09 3.52 0.11 -1.26 -0.01 120.40 124.23 2cxs s VAL 181 Ca 0.59 -0.86 0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2cxs s VAL 181 Cb -0.42 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.38 2cxs s VAL 181 CO 0.55 0.56 -0.22 0.26 -3.33 0.00 0.00 175.10 172.92 2cxs s TRP 182 N -0.13 1.94 -0.16 1.54 0.52 0.72 -4.96 118.94 118.40 2cxs s TRP 182 Ca -0.03 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.70 2cxs s TRP 182 Cb -0.14 -1.09 0.02 0.00 -1.15 0.00 0.00 33.47 31.12 2cxs s TRP 182 CO 0.04 0.20 -0.15 -0.06 0.02 0.00 0.00 176.95 176.99 2cxs s PHE 183 N -1.03 2.36 -0.17 -1.98 0.40 -1.26 -0.68 117.98 115.62 2cxs s PHE 183 Ca 0.09 -1.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.02 2cxs s PHE 183 Cb -0.10 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2cxs s PHE 183 CO 0.04 -0.72 -0.09 0.08 0.70 0.00 0.00 175.22 175.23 2cxs s VAL 184 N 1.42 3.20 0.03 -0.44 1.01 0.27 -4.98 120.40 120.91 2cxs s VAL 184 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2cxs s VAL 184 Cb -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2cxs s VAL 184 CO -0.11 0.49 0.00 -1.54 0.00 0.00 0.00 175.10 173.93 2cxs n SER 185 N 4.05 -0.00 -4.76 3.32 3.41 -1.25 -1.92 113.62 116.46 2cxs n SER 185 Ca -0.18 0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.08 2cxs n SER 185 Cb 0.52 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2cxs n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2cxs s ASN 186 N -5.01 5.92 0.40 4.04 3.84 -1.26 -4.65 114.94 118.23 2cxs s ASN 186 Ca 0.00 2.76 0.16 0.00 0.21 0.00 0.00 52.86 55.99 2cxs s ASN 186 Cb 0.00 -2.64 0.85 0.00 -0.55 0.00 0.00 41.25 38.91 2cxs s ASN 186 CO 0.00 -1.13 1.87 -0.29 -2.79 0.00 0.00 177.10 174.76 2cxs h ILE 187 N 2.17 1.11 -0.96 -5.21 6.09 -1.98 -3.44 117.51 115.29 2cxs h ILE 187 Ca -0.50 -1.13 -0.79 0.00 -1.37 0.00 0.00 64.86 61.07 2cxs h ILE 187 Cb 1.26 1.63 -0.00 0.00 0.47 0.00 0.00 36.82 40.18 2cxs h ILE 187 CO 0.61 0.31 0.98 -0.67 -3.07 0.00 0.00 178.15 176.31 2cxs n ASP 188 N -3.99 1.59 0.32 2.19 4.64 -1.26 -4.76 116.55 115.27 2cxs n ASP 188 Ca -0.02 0.95 0.20 0.00 -1.38 0.00 0.00 54.79 54.54 2cxs n ASP 188 Cb 0.38 -1.01 1.06 0.00 -1.04 0.00 0.00 41.12 40.51 2cxs n ASP 188 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 2cxs h GLY 189 N 7.46 0.00 0.14 0.27 0.00 -2.02 -0.21 103.07 108.71 2cxs h GLY 189 Ca -0.35 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.17 2cxs h GLY 189 CO 1.00 0.00 0.61 -0.84 0.00 0.00 0.00 176.54 177.32 2cxs h THR 190 N 0.00 0.71 0.47 4.70 2.02 -1.94 -0.60 112.91 118.28 2cxs h THR 190 Ca 0.01 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2cxs h THR 190 Cb 0.17 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2cxs h THR 190 CO -0.00 0.14 -0.23 -0.74 0.37 0.00 0.00 175.52 175.06 2cxs h HIS 191 N 0.76 -0.58 -0.34 3.16 2.76 -1.33 -1.39 115.15 118.19 2cxs h HIS 191 Ca 0.57 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.60 2cxs h HIS 191 Cb 0.89 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 2cxs h HIS 191 CO -0.00 -0.27 -0.30 0.97 -1.30 0.00 0.00 177.93 177.02 2cxs h ILE 192 N -0.88 1.28 -0.20 6.26 2.10 -1.71 -2.92 117.51 121.44 2cxs h ILE 192 Ca -0.06 -1.44 -0.00 0.00 1.08 0.00 0.00 64.86 64.43 2cxs h ILE 192 Cb 0.58 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 2cxs h ILE 192 CO 0.11 0.47 0.11 0.00 -1.08 0.00 0.00 178.15 177.76 2cxs h ALA 193 N 1.03 0.26 0.00 0.18 0.00 -1.04 0.45 119.26 120.14 2cxs h ALA 193 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2cxs h ALA 193 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2cxs h ALA 193 CO 0.07 -0.20 -0.41 1.57 0.00 0.00 0.00 179.25 180.28 2cxs h LYS 194 N 0.22 0.00 0.04 0.00 2.10 -1.32 -1.98 116.57 115.64 2cxs h LYS 194 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2cxs h LYS 194 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2cxs h LYS 194 CO -0.01 0.41 -0.02 1.15 -2.00 0.00 0.00 179.45 178.98 2cxs h THR 195 N 0.00 1.29 0.00 0.07 2.02 -1.28 -3.28 112.91 111.73 2cxs h THR 195 Ca -0.00 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 2cxs h THR 195 Cb 0.90 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2cxs h THR 195 CO 0.05 0.29 -0.18 -0.07 0.37 0.00 0.00 175.52 175.98 2cxs h LEU 196 N -0.58 0.00 -2.41 2.58 3.38 -0.82 -2.44 115.31 115.02 2cxs h LEU 196 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cxs h LEU 196 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2cxs h LEU 196 CO 0.01 0.18 -0.02 0.00 0.09 0.00 0.00 178.44 178.70 2cxs h ALA 197 N 1.82 1.45 -0.63 1.53 0.00 -1.42 -2.27 119.26 119.75 2cxs h ALA 197 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cxs h ALA 197 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2cxs h ALA 197 CO 0.02 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.73 2cxs n SER 198 N -3.76 3.99 -4.34 0.00 7.64 -0.92 -5.00 113.62 111.24 2cxs n SER 198 Ca -0.03 -2.15 -0.19 0.00 1.01 0.00 0.00 58.87 57.51 2cxs n SER 198 Cb 0.11 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.74 2cxs n SER 198 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2cxs s LEU 199 N -1.28 2.51 -0.12 -3.43 1.43 -0.85 -5.13 118.68 111.81 2cxs s LEU 199 Ca 0.45 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2cxs s LEU 199 Cb 0.25 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 2cxs s LEU 199 CO 0.27 -0.13 -0.07 -0.55 0.23 0.00 0.00 176.35 176.11 2cxs s SER 200 N -3.07 4.57 0.61 2.29 0.15 -1.26 -5.00 113.70 111.99 2cxs s SER 200 Ca 0.20 -0.14 0.33 0.00 0.70 0.00 0.00 55.95 57.03 2cxs s SER 200 Cb -0.03 -1.54 1.89 0.00 -1.71 0.00 0.00 66.02 64.63 2cxs s SER 200 CO 0.07 0.23 2.21 -0.65 1.20 0.00 0.00 173.24 176.30 2cxs h PRO 201 N 6.22 0.00 0.00 5.44 0.11 -1.95 -2.45 132.00 139.37 2cxs h PRO 201 Ca -0.36 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 2cxs h PRO 201 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2cxs h PRO 201 CO 0.58 0.00 -0.40 0.93 -0.21 0.00 0.00 178.00 178.90 2cxs h GLU 202 N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.33 114.58 115.41 2cxs h GLU 202 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2cxs h GLU 202 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2cxs h GLU 202 CO -0.00 0.40 -0.06 0.25 -1.00 0.00 0.00 179.01 178.61 2cxs n THR 203 N -3.67 0.88 -4.42 1.13 -2.24 -0.95 -4.29 114.28 100.73 2cxs n THR 203 Ca -0.01 -0.97 -0.34 0.00 -2.27 0.00 0.00 64.05 60.46 2cxs n THR 203 Cb 0.49 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 2cxs n THR 203 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2cxs s SER 204 N -1.22 4.86 -0.19 3.42 0.01 -1.05 -1.09 113.70 118.44 2cxs s SER 204 Ca 0.07 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 2cxs s SER 204 Cb 0.07 -1.67 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 2cxs s SER 204 CO 0.01 0.22 -0.11 -0.22 0.41 0.00 0.00 173.24 173.55 2cxs s LEU 205 N 0.04 2.63 -0.09 2.44 2.96 -0.07 -4.79 118.68 121.80 2cxs s LEU 205 Ca 0.00 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.32 2cxs s LEU 205 Cb -0.13 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 2cxs s LEU 205 CO 0.03 0.02 0.32 -0.36 -1.32 0.00 0.00 176.35 175.04 2cxs s PHE 206 N 1.21 3.59 -0.28 5.38 0.40 0.99 -0.60 117.98 128.67 2cxs s PHE 206 Ca 0.02 0.76 -0.01 0.00 -0.60 0.00 0.00 56.93 57.10 2cxs s PHE 206 Cb -0.14 -2.27 0.05 0.00 0.51 0.00 0.00 43.02 41.17 2cxs s PHE 206 CO -0.04 0.48 -0.04 0.42 0.70 0.00 0.00 175.22 176.74 2cxs s ILE 207 N -0.37 2.79 -0.48 0.64 1.01 0.66 -1.33 121.20 124.12 2cxs s ILE 207 Ca 0.20 -1.37 -0.20 0.00 0.00 0.00 0.00 60.65 59.28 2cxs s ILE 207 Cb -0.14 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.80 2cxs s ILE 207 CO 0.08 -0.03 0.64 -0.63 0.00 0.00 0.00 174.94 174.99 2cxs s ILE 208 N 1.23 4.85 -0.32 2.92 -1.09 0.04 -0.16 121.20 128.67 2cxs s ILE 208 Ca -0.05 -0.26 -0.08 0.00 -2.23 0.00 0.00 60.65 58.03 2cxs s ILE 208 Cb -0.19 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 2cxs s ILE 208 CO -0.03 -0.74 0.12 0.00 -1.23 0.00 0.00 174.94 173.07 2cxs s ALA 209 N 2.73 3.15 -0.30 9.38 0.00 0.43 -0.82 121.76 136.33 2cxs s ALA 209 Ca 0.18 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2cxs s ALA 209 Cb -0.17 -2.30 0.15 0.00 0.00 0.00 0.00 23.12 20.80 2cxs s ALA 209 CO 0.15 -1.07 0.79 0.45 0.00 0.00 0.00 175.76 176.08 2cxs s SER 210 N 1.52 -0.93 0.14 0.00 0.15 -0.37 -4.26 113.70 109.94 2cxs s SER 210 Ca 0.02 1.10 -0.20 0.00 0.70 0.00 0.00 55.95 57.58 2cxs s SER 210 Cb -0.18 1.99 -0.00 0.00 -1.71 0.00 0.00 66.02 66.12 2cxs s SER 210 CO 0.04 -0.18 1.69 0.50 1.20 0.00 0.00 173.24 176.50 2cxs h LYS 211 N 7.82 -0.02 0.00 5.44 3.64 -1.95 -2.98 116.57 128.52 2cxs h LYS 211 Ca -0.17 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.01 2cxs h LYS 211 Cb 1.12 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 2cxs h LYS 211 CO 0.10 -0.01 -1.04 1.79 -2.27 0.00 0.00 179.45 178.02 2cxs h THR 212 N -0.02 1.24 -3.33 1.00 1.35 -1.96 -2.13 112.91 109.05 2cxs h THR 212 Ca 0.12 -2.87 -0.39 0.00 -0.55 0.00 0.00 66.41 62.72 2cxs h THR 212 Cb 0.19 2.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 2cxs h THR 212 CO -0.25 0.71 -0.51 0.33 -0.25 0.00 0.00 175.52 175.55 2cxs n PHE 213 N -3.22 -1.18 -0.63 4.73 -0.00 -1.13 -4.64 117.46 111.39 2cxs n PHE 213 Ca -0.03 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 2cxs n PHE 213 Cb 0.90 -3.81 0.00 0.00 -0.00 0.00 0.00 39.48 36.57 2cxs n PHE 213 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2cxs n THR 214 N -3.96 0.00 -1.79 -2.13 -2.24 -1.26 -4.86 114.28 98.04 2cxs n THR 214 Ca -0.21 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2cxs n THR 214 Cb 0.67 1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 70.50 2cxs n THR 214 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cxs s THR 215 N -0.03 2.57 0.16 4.28 2.01 -1.26 -4.89 115.64 118.48 2cxs s THR 215 Ca 0.00 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 2cxs s THR 215 Cb 0.00 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.42 2cxs s THR 215 CO 0.00 0.00 1.80 -0.61 -0.69 0.00 0.00 174.62 175.13 2cxs h GLN 216 N 8.00 0.49 -0.35 4.92 4.15 -1.99 -0.90 115.11 129.43 2cxs h GLN 216 Ca -0.44 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.96 2cxs h GLN 216 Cb 1.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2cxs h GLN 216 CO 0.94 0.32 0.21 0.93 -1.93 0.00 0.00 178.83 179.31 2cxs h GLU 217 N 0.51 0.42 -0.14 1.69 3.07 -1.92 -0.89 114.58 117.31 2cxs h GLU 217 Ca 0.17 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2cxs h GLU 217 Cb 0.01 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2cxs h GLU 217 CO -0.08 0.28 -0.09 1.15 -1.40 0.00 0.00 179.01 178.87 2cxs h THR 218 N 0.44 1.33 -0.59 1.13 2.02 -1.76 -0.69 112.91 114.78 2cxs h THR 218 Ca 0.14 -1.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 2cxs h THR 218 Cb -0.01 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2cxs h THR 218 CO -0.05 0.34 0.03 0.40 0.37 0.00 0.00 175.52 176.60 2cxs h ILE 219 N -0.04 1.26 -0.14 3.11 1.08 -1.15 0.94 117.51 122.58 2cxs h ILE 219 Ca 0.03 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 2cxs h ILE 219 Cb 0.57 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2cxs h ILE 219 CO 0.02 0.40 0.05 0.74 -0.69 0.00 0.00 178.15 178.67 2cxs h THR 220 N 0.93 1.16 -0.71 -0.27 2.02 -1.12 0.62 112.91 115.54 2cxs h THR 220 Ca 0.17 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.92 2cxs h THR 220 Cb 0.50 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2cxs h THR 220 CO 0.02 0.15 0.41 0.78 0.37 0.00 0.00 175.52 177.26 2cxs h ASN 221 N 0.06 0.63 -0.59 4.18 2.35 -1.00 -0.24 115.58 120.98 2cxs h ASN 221 Ca 0.05 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2cxs h ASN 221 Cb 0.19 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2cxs h ASN 221 CO -0.00 0.41 0.20 0.00 -1.65 0.00 0.00 177.43 176.39 2cxs h ALA 222 N 1.36 0.77 -0.59 -0.83 0.00 -0.53 -0.42 119.26 119.01 2cxs h ALA 222 Ca 0.32 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2cxs h ALA 222 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2cxs h ALA 222 CO -0.17 0.41 0.05 0.93 0.00 0.00 0.00 179.25 180.47 2cxs h GLU 223 N 0.82 0.99 -0.48 0.00 5.08 -0.51 -0.23 114.58 120.27 2cxs h GLU 223 Ca 0.19 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2cxs h GLU 223 Cb 0.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2cxs h GLU 223 CO -0.01 0.94 0.22 1.15 -1.00 0.00 0.00 179.01 180.31 2cxs h THR 224 N 0.93 1.20 -0.75 1.13 2.02 -0.73 -0.48 112.91 116.21 2cxs h THR 224 Ca 0.18 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2cxs h THR 224 Cb 0.47 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2cxs h THR 224 CO 0.02 0.22 0.40 0.00 0.37 0.00 0.00 175.52 176.53 2cxs h ALA 225 N 1.06 0.97 -0.64 6.16 0.00 -0.82 -1.69 119.26 124.30 2cxs h ALA 225 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2cxs h ALA 225 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2cxs h ALA 225 CO -0.02 0.50 0.07 -0.22 0.00 0.00 0.00 179.25 179.58 2cxs h LYS 226 N 1.05 1.07 -0.37 0.00 3.64 -0.78 0.05 116.57 121.23 2cxs h LYS 226 Ca 0.26 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2cxs h LYS 226 Cb 0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2cxs h LYS 226 CO -0.04 1.00 0.11 1.49 -2.27 0.00 0.00 179.45 179.74 2cxs h GLU 227 N 0.99 0.58 -0.50 1.90 4.81 -0.88 0.45 114.58 121.94 2cxs h GLU 227 Ca 0.19 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2cxs h GLU 227 Cb 0.47 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2cxs h GLU 227 CO 0.02 0.60 0.32 2.35 -0.73 0.00 0.00 179.01 181.57 2cxs h TRP 228 N 0.46 0.60 -0.19 0.92 7.01 -1.14 -0.78 115.95 122.82 2cxs h TRP 228 Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2cxs h TRP 228 Cb 0.26 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2cxs h TRP 228 CO 0.01 0.36 0.08 0.35 -2.79 0.00 0.00 178.44 176.45 2cxs h PHE 229 N 0.64 0.29 0.00 2.65 3.57 -0.76 -3.06 116.94 120.27 2cxs h PHE 229 Ca 0.19 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 2cxs h PHE 229 Cb -0.03 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2cxs h PHE 229 CO -0.05 0.32 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.99 2cxs h LEU 230 N 0.17 0.00 -1.51 0.59 3.38 -0.71 0.07 115.31 117.30 2cxs h LEU 230 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2cxs h LEU 230 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2cxs h LEU 230 CO -0.01 0.29 0.34 -0.08 0.09 0.00 0.00 178.44 179.08 2cxs h GLU 231 N 0.00 0.66 0.03 1.13 4.57 -1.04 0.66 114.58 120.58 2cxs h GLU 231 Ca -0.00 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 2cxs h GLU 231 Cb 0.75 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2cxs h GLU 231 CO 0.04 0.43 -0.98 0.00 -1.18 0.00 0.00 179.01 177.32 2cxs h ALA 232 N 1.68 0.18 0.12 2.92 0.00 -1.39 -3.41 119.26 119.36 2cxs h ALA 232 Ca 0.19 -1.00 -0.28 0.00 0.00 0.00 0.00 54.91 53.82 2cxs h ALA 232 Cb -0.04 0.49 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2cxs h ALA 232 CO -0.04 0.56 -1.21 0.00 0.00 0.00 0.00 179.25 178.56 2cxs h ALA 233 N -0.25 0.10 -3.56 0.00 0.00 -0.99 -3.48 119.26 111.09 2cxs h ALA 233 Ca -0.25 -0.82 -0.38 0.00 0.00 0.00 0.00 54.91 53.46 2cxs h ALA 233 Cb 1.35 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2cxs h ALA 233 CO -0.09 0.84 -0.51 1.63 0.00 0.00 0.00 179.25 181.12 2cxs n LYS 234 N -3.66 -2.49 -3.31 0.00 5.02 0.22 -4.95 118.16 108.99 2cxs n LYS 234 Ca -0.10 0.89 -0.05 0.00 -2.02 0.00 0.00 58.31 57.03 2cxs n LYS 234 Cb 0.99 -5.59 -0.06 0.00 -0.02 0.00 0.00 35.03 30.35 2cxs n LYS 234 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2cxs s ASP 235 N -2.20 -0.25 0.52 4.39 -1.08 -1.26 -5.04 116.67 111.75 2cxs s ASP 235 Ca 0.08 0.46 0.24 0.00 -0.52 0.00 0.00 52.55 52.81 2cxs s ASP 235 Cb -0.04 1.44 1.44 0.00 -1.46 0.00 0.00 42.92 44.30 2cxs s ASP 235 CO 0.09 -0.28 2.11 1.55 0.52 0.00 0.00 175.17 179.15 2cxs h PRO 236 N 8.13 0.00 0.00 4.34 0.13 -1.97 -1.46 132.00 141.17 2cxs h PRO 236 Ca -0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 2cxs h PRO 236 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2cxs h PRO 236 CO 0.26 0.10 -0.09 0.66 -0.23 0.00 0.00 178.00 178.70 2cxs h SER 237 N 0.00 0.00 0.94 1.44 4.64 -2.00 -2.75 113.55 115.81 2cxs h SER 237 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2cxs h SER 237 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2cxs h SER 237 CO 0.01 0.09 -0.06 0.00 -0.87 0.00 0.00 176.83 176.00 2cxs h ALA 238 N 1.91 1.02 -0.84 5.18 0.00 -1.67 -3.11 119.26 121.75 2cxs h ALA 238 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2cxs h ALA 238 Cb 0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2cxs h ALA 238 CO 0.01 0.08 0.55 0.28 0.00 0.00 0.00 179.25 180.17 2cxs h VAL 239 N 0.00 0.98 0.00 0.00 2.07 -1.62 -1.10 116.25 116.57 2cxs h VAL 239 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2cxs h VAL 239 Cb 0.55 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2cxs h VAL 239 CO 0.01 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2cxs h ALA 240 N 1.57 1.00 -0.00 1.67 0.00 -1.76 -0.15 119.26 121.59 2cxs h ALA 240 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2cxs h ALA 240 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2cxs h ALA 240 CO -0.15 0.00 -0.65 1.63 0.00 0.00 0.00 179.25 180.08 2cxs n LYS 241 N -2.46 0.14 0.00 0.00 5.02 -0.42 -4.54 118.16 115.89 2cxs n LYS 241 Ca -0.01 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2cxs n LYS 241 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2cxs n LYS 241 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2cxs n HIS 242 N -1.35 0.00 -4.05 2.13 8.25 -0.47 -4.76 115.22 114.97 2cxs n HIS 242 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 2cxs n HIS 242 Cb 0.34 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.28 2cxs n HIS 242 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2cxs s PHE 243 N -0.22 0.79 0.24 4.41 0.08 -0.19 -0.01 117.98 123.08 2cxs s PHE 243 Ca 0.00 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 56.89 2cxs s PHE 243 Cb 0.00 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2cxs s PHE 243 CO 0.00 -0.25 -0.12 0.14 -0.10 0.00 0.00 175.22 174.88 2cxs s VAL 244 N 1.25 1.80 -0.00 -0.44 -7.23 -0.44 -4.73 120.40 110.61 2cxs s VAL 244 Ca -0.06 -2.21 0.05 0.00 -1.81 0.00 0.00 61.98 57.96 2cxs s VAL 244 Cb -0.14 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 2cxs s VAL 244 CO -0.02 -0.48 -0.17 0.00 -0.31 0.00 0.00 175.10 174.12 2cxs s ALA 245 N -2.93 1.44 -0.28 1.32 0.00 -0.14 -0.78 121.76 120.40 2cxs s ALA 245 Ca 0.26 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2cxs s ALA 245 Cb 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2cxs s ALA 245 CO 0.09 0.34 -0.06 -0.51 0.00 0.00 0.00 175.76 175.63 2cxs s LEU 246 N -0.57 3.67 0.23 0.00 1.43 0.00 -0.21 118.68 123.23 2cxs s LEU 246 Ca 0.06 -1.35 -0.23 0.00 -1.03 0.00 0.00 54.13 51.58 2cxs s LEU 246 Cb -0.07 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.56 2cxs s LEU 246 CO -0.00 -0.22 0.79 -0.55 0.23 0.00 0.00 176.35 176.59 2cxs s SER 247 N 1.17 -0.26 0.00 2.29 0.15 -0.99 -1.24 113.70 114.83 2cxs s SER 247 Ca -0.07 -0.50 0.18 0.00 0.70 0.00 0.00 55.95 56.26 2cxs s SER 247 Cb -0.20 0.64 -0.16 0.00 -1.71 0.00 0.00 66.02 64.60 2cxs s SER 247 CO -0.03 -1.18 0.79 0.35 1.20 0.00 0.00 173.24 174.37 2cxs n THR 248 N -0.45 0.00 -3.51 6.45 -2.24 -0.80 -1.93 114.28 111.80 2cxs n THR 248 Ca -0.05 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2cxs n THR 248 Cb 0.60 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 2cxs n THR 248 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2cxs s ASN 249 N -2.57 6.33 0.22 3.42 3.84 -1.24 -4.92 114.94 120.03 2cxs s ASN 249 Ca 0.08 -3.28 -0.08 0.00 0.21 0.00 0.00 52.86 49.80 2cxs s ASN 249 Cb 0.14 -2.04 0.28 0.00 -0.55 0.00 0.00 41.25 39.08 2cxs s ASN 249 CO 0.68 -0.33 1.84 0.74 -2.79 0.00 0.00 177.10 177.23 2cxs h THR 250 N 4.38 1.02 -0.51 -5.21 2.02 -1.95 -1.88 112.91 110.78 2cxs h THR 250 Ca 0.12 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2cxs h THR 250 Cb 0.91 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2cxs h THR 250 CO 0.84 0.16 0.31 0.00 0.37 0.00 0.00 175.52 177.19 2cxs h ALA 251 N 1.37 0.65 -0.02 6.16 0.00 -1.99 -1.10 119.26 124.33 2cxs h ALA 251 Ca 0.33 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2cxs h ALA 251 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2cxs h ALA 251 CO -0.17 0.14 -0.76 0.87 0.00 0.00 0.00 179.25 179.34 2cxs h LYS 252 N 0.69 0.19 -0.20 0.00 1.79 -1.88 -1.15 116.57 116.01 2cxs h LYS 252 Ca 0.18 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2cxs h LYS 252 Cb -0.00 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2cxs h LYS 252 CO -0.03 0.86 0.11 0.28 -1.08 0.00 0.00 179.45 179.59 2cxs h VAL 253 N 0.12 1.10 -0.68 0.50 2.07 -1.15 -1.41 116.25 116.79 2cxs h VAL 253 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2cxs h VAL 253 Cb 1.33 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2cxs h VAL 253 CO 0.11 0.09 0.42 0.50 0.02 0.00 0.00 177.57 178.72 2cxs h LYS 254 N 0.22 0.91 -0.73 1.57 3.64 -1.10 -2.61 116.57 118.47 2cxs h LYS 254 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cxs h LYS 254 Cb 0.05 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2cxs h LYS 254 CO -0.01 0.63 0.46 1.49 -2.27 0.00 0.00 179.45 179.75 2cxs h GLU 255 N 0.92 0.98 0.00 1.90 4.81 -1.03 -1.14 114.58 121.02 2cxs h GLU 255 Ca 0.25 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2cxs h GLU 255 Cb -0.06 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2cxs h GLU 255 CO -0.05 0.66 -0.26 0.35 -0.73 0.00 0.00 179.01 178.99 2cxs h PHE 256 N 1.00 0.00 0.00 0.92 3.04 -0.98 -3.47 116.94 117.45 2cxs h PHE 256 Ca 0.27 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2cxs h PHE 256 Cb -0.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.43 2cxs h PHE 256 CO 0.00 0.26 0.00 0.41 -2.02 0.00 0.00 178.31 176.96 2cxs n GLY 257 N -0.47 1.66 3.79 2.40 0.00 -0.43 -5.11 105.19 107.03 2cxs n GLY 257 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2cxs n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cxs s ILE 258 N -2.00 5.38 0.33 -0.61 1.01 -1.01 -4.87 121.20 119.44 2cxs s ILE 258 Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.72 2cxs s ILE 258 Cb 0.00 -3.51 -0.13 0.00 0.01 0.00 0.00 42.46 38.84 2cxs s ILE 258 CO 0.00 0.51 1.20 -0.67 0.00 0.00 0.00 174.94 175.97 2cxs n ASP 259 N 2.80 2.26 0.04 3.58 4.64 -1.26 -4.26 116.55 124.36 2cxs n ASP 259 Ca -0.16 1.19 0.04 0.00 -1.38 0.00 0.00 54.79 54.47 2cxs n ASP 259 Cb 0.53 -1.42 0.43 0.00 -1.04 0.00 0.00 41.12 39.62 2cxs n ASP 259 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2cxs h PRO 260 N 2.31 0.44 0.00 -0.67 0.11 -1.97 0.04 132.00 132.27 2cxs h PRO 260 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2cxs h PRO 260 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2cxs h PRO 260 CO 0.62 0.34 0.00 1.04 -0.21 0.00 0.00 178.00 179.79 2cxs n GLN 261 N -4.44 0.05 -0.49 1.05 6.02 -1.26 -2.30 117.38 116.02 2cxs n GLN 261 Ca 0.02 0.15 0.09 0.00 -0.01 0.00 0.00 57.00 57.25 2cxs n GLN 261 Cb 0.11 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.18 2cxs n GLN 261 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2cxs n ASN 262 N -1.46 4.26 -4.55 1.08 4.13 -0.01 -4.92 115.26 113.80 2cxs n ASN 262 Ca 0.06 -2.35 -0.35 0.00 1.68 0.00 0.00 54.58 53.62 2cxs n ASN 262 Cb 0.22 -0.51 -0.11 0.00 -1.54 0.00 0.00 39.78 37.84 2cxs n ASN 262 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2cxs s MET 263 N -1.65 3.81 -0.36 3.52 1.75 -0.97 -0.96 119.30 124.43 2cxs s MET 263 Ca 0.46 -0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 54.38 2cxs s MET 263 Cb 0.28 -3.21 0.03 0.00 2.84 0.00 0.00 34.83 34.78 2cxs s MET 263 CO 0.23 0.10 0.17 -0.06 -0.65 0.00 0.00 175.02 174.82 2cxs s PHE 264 N 0.82 3.25 0.26 4.11 0.40 0.71 -4.98 117.98 122.55 2cxs s PHE 264 Ca 0.03 -1.11 -0.19 0.00 -0.60 0.00 0.00 56.93 55.06 2cxs s PHE 264 Cb -0.14 -2.39 -0.09 0.00 0.51 0.00 0.00 43.02 40.92 2cxs s PHE 264 CO 0.02 -0.67 0.76 -1.21 0.70 0.00 0.00 175.22 174.82 2cxs s GLU 265 N 1.51 4.24 0.00 0.44 2.02 -1.26 -2.34 118.70 123.30 2cxs s GLU 265 Ca 0.01 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2cxs s GLU 265 Cb -0.19 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2cxs s GLU 265 CO 0.05 0.32 0.00 1.97 0.02 0.00 0.00 175.26 177.62 2cxs n PHE 266 N 0.43 0.00 -4.27 1.61 1.16 -0.81 -4.53 117.46 111.05 2cxs n PHE 266 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 2cxs n PHE 266 Cb 0.51 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.28 2cxs n PHE 266 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2cxs s TRP 267 N -1.25 1.34 0.49 2.97 0.51 -1.26 -4.35 118.94 117.41 2cxs s TRP 267 Ca 0.00 -0.81 0.31 0.00 -2.12 0.00 0.00 56.10 53.48 2cxs s TRP 267 Cb 0.00 -0.71 1.71 0.00 -0.81 0.00 0.00 33.47 33.66 2cxs s TRP 267 CO 0.00 0.05 2.17 0.38 -0.51 0.00 0.00 176.95 179.04 2cxs h ASP 268 N 2.69 0.00 -0.05 2.95 3.04 -1.97 -1.35 116.42 121.75 2cxs h ASP 268 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 2cxs h ASP 268 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2cxs h ASP 268 CO 0.64 0.06 0.00 -2.67 -2.04 0.00 0.00 179.24 175.22 2cxs n TRP 269 N -3.61 0.06 -3.36 4.15 4.27 -1.26 -4.52 117.44 113.17 2cxs n TRP 269 Ca -0.02 -0.03 -0.45 0.00 -3.89 0.00 0.00 57.50 53.11 2cxs n TRP 269 Cb 0.16 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.04 2cxs n TRP 269 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2cxs s VAL 270 N -1.94 5.20 0.42 -1.67 1.01 -0.51 -1.19 120.40 121.72 2cxs s VAL 270 Ca 0.26 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 2cxs s VAL 270 Cb 0.12 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2cxs s VAL 270 CO 0.20 -0.66 1.32 -0.83 0.00 0.00 0.00 175.10 175.14 2cxs s GLY 271 N 2.82 2.92 0.20 4.51 0.00 -1.26 -4.88 107.32 111.62 2cxs s GLY 271 Ca 0.05 1.26 -0.11 0.00 0.00 0.00 0.00 44.72 45.92 2cxs s GLY 271 CO 0.06 1.85 1.72 -1.33 0.00 0.00 0.00 173.10 175.40 2cxs h GLY 272 N 2.55 0.71 0.49 0.20 0.00 -1.95 0.29 103.07 105.36 2cxs h GLY 272 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2cxs h GLY 272 CO 0.62 -0.08 0.00 -0.96 0.00 0.00 0.00 176.54 176.12 2cxs n ARG 273 N -5.10 0.84 -0.57 4.80 1.85 -1.26 -2.20 116.66 115.03 2cxs n ARG 273 Ca 0.07 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.98 2cxs n ARG 273 Cb 0.28 -1.25 0.12 0.00 -1.05 0.00 0.00 32.46 30.56 2cxs n ARG 273 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2cxs n TYR 274 N -0.75 0.00 0.85 2.89 4.02 0.04 -4.75 117.16 119.46 2cxs n TYR 274 Ca 0.10 -0.91 0.09 0.00 -0.01 0.00 0.00 57.90 57.16 2cxs n TYR 274 Cb 0.05 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.10 2cxs n TYR 274 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2cxs n SER 275 N -0.76 0.87 0.34 7.72 3.41 -0.85 -4.45 113.62 119.89 2cxs n SER 275 Ca 0.13 -0.93 0.22 0.00 -0.26 0.00 0.00 58.87 58.02 2cxs n SER 275 Cb 0.75 0.99 1.19 0.00 -0.26 0.00 0.00 64.21 66.89 2cxs n SER 275 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2cxs h LEU 276 N 0.04 0.00 -0.20 1.04 8.10 -1.84 -0.16 115.31 122.28 2cxs h LEU 276 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2cxs h LEU 276 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 2cxs h LEU 276 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 2cxs n TRP 277 N -3.13 0.72 -1.83 0.17 7.02 -1.26 -2.85 117.44 116.28 2cxs n TRP 277 Ca -0.03 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 2cxs n TRP 277 Cb 0.08 -0.88 0.00 0.00 -2.42 0.00 0.00 31.31 28.09 2cxs n TRP 277 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2cxs n SER 278 N -2.11 0.00 -0.24 -0.99 3.41 -0.07 -4.77 113.62 108.85 2cxs n SER 278 Ca 0.05 -0.20 0.31 0.00 -0.26 0.00 0.00 58.87 58.77 2cxs n SER 278 Cb 0.34 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.03 2cxs n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cxs h ALA 279 N -0.94 2.96 -0.20 7.33 0.00 -1.80 -0.02 119.26 126.59 2cxs h ALA 279 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2cxs h ALA 279 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2cxs h ALA 279 CO 0.00 -1.25 0.22 0.82 0.00 0.00 0.00 179.25 179.04 2cxs h ILE 280 N 0.00 0.47 0.00 0.00 1.08 -1.85 -0.41 117.51 116.81 2cxs h ILE 280 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.95 2cxs h ILE 280 Cb 1.93 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 2cxs h ILE 280 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.06 2cxs n GLY 281 N -1.41 -0.85 0.30 5.37 0.00 -0.02 -4.29 105.19 104.29 2cxs n GLY 281 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2cxs n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cxs h LEU 282 N 0.00 0.67 -1.64 0.99 5.85 -1.25 -0.33 115.31 119.59 2cxs h LEU 282 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2cxs h LEU 282 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2cxs h LEU 282 CO 0.00 0.39 -0.06 0.77 -0.34 0.00 0.00 178.44 179.20 2cxs h SER 283 N 0.79 0.14 0.22 1.25 4.64 -1.85 0.11 113.55 118.85 2cxs h SER 283 Ca 0.38 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2cxs h SER 283 Cb 0.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2cxs h SER 283 CO -0.24 0.22 -0.11 0.40 -0.87 0.00 0.00 176.83 176.24 2cxs h ILE 284 N 0.15 0.84 -0.73 0.95 2.04 -1.39 -1.83 117.51 117.54 2cxs h ILE 284 Ca 0.03 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2cxs h ILE 284 Cb 0.21 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2cxs h ILE 284 CO 0.01 0.09 0.40 0.00 0.00 0.00 0.00 178.15 178.65 2cxs h ALA 285 N 0.22 1.32 -0.61 1.87 0.00 -0.88 -0.26 119.26 120.92 2cxs h ALA 285 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2cxs h ALA 285 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2cxs h ALA 285 CO 0.05 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 179.81 2cxs h LEU 286 N 1.02 1.03 -0.03 0.00 3.38 -0.80 0.19 115.31 120.10 2cxs h LEU 286 Ca 0.26 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2cxs h LEU 286 Cb 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2cxs h LEU 286 CO -0.04 1.07 -0.19 -0.74 0.09 0.00 0.00 178.44 178.62 2cxs h HIS 287 N 0.96 0.25 -0.01 1.13 2.76 -0.70 -3.37 115.15 116.17 2cxs h HIS 287 Ca 0.18 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2cxs h HIS 287 Cb 0.52 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2cxs h HIS 287 CO 0.04 0.84 -0.49 1.33 -1.30 0.00 0.00 177.93 178.36 2cxs n VAL 288 N -4.56 0.00 0.00 5.26 0.24 -0.17 -4.20 118.33 114.90 2cxs n VAL 288 Ca -0.09 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2cxs n VAL 288 Cb 0.44 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2cxs n VAL 288 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2cxs n GLY 289 N 1.23 2.11 0.25 7.63 0.00 0.65 -4.48 105.19 112.58 2cxs n GLY 289 Ca 0.05 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 2cxs n GLY 289 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2cxs h PHE 290 N 0.00 0.43 -0.38 1.61 3.57 -1.90 -2.16 116.94 118.12 2cxs h PHE 290 Ca 0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2cxs h PHE 290 Cb 0.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2cxs h PHE 290 CO 0.00 0.52 0.21 -0.44 -2.23 0.00 0.00 178.31 176.37 2cxs h ASP 291 N 0.38 0.34 -0.04 0.41 3.32 -1.92 0.87 116.42 119.79 2cxs h ASP 291 Ca 0.07 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2cxs h ASP 291 Cb 0.45 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2cxs h ASP 291 CO 0.03 0.25 -0.25 0.45 -1.72 0.00 0.00 179.24 177.99 2cxs h HIS 292 N 0.44 0.51 -0.59 4.55 3.86 -1.73 -1.48 115.15 120.70 2cxs h HIS 292 Ca 0.15 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2cxs h HIS 292 Cb 0.02 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 2cxs h HIS 292 CO -0.08 0.67 0.32 0.35 0.86 0.00 0.00 177.93 180.05 2cxs h PHE 293 N 0.40 0.82 -0.67 2.45 3.57 -0.88 -1.40 116.94 121.23 2cxs h PHE 293 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2cxs h PHE 293 Cb 0.65 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2cxs h PHE 293 CO 0.02 0.59 0.37 0.93 -2.23 0.00 0.00 178.31 177.99 2cxs h GLU 294 N 0.80 0.92 -0.69 1.11 5.08 -0.41 -1.25 114.58 120.13 2cxs h GLU 294 Ca 0.21 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2cxs h GLU 294 Cb 0.05 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2cxs h GLU 294 CO -0.03 0.67 0.14 1.96 -1.00 0.00 0.00 179.01 180.75 2cxs h GLN 295 N 0.93 1.13 -0.18 2.33 4.20 -0.95 -0.03 115.11 122.54 2cxs h GLN 295 Ca 0.24 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2cxs h GLN 295 Cb 0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2cxs h GLN 295 CO -0.04 1.01 0.12 1.25 -0.67 0.00 0.00 178.83 180.50 2cxs h LEU 296 N 1.06 0.21 -0.85 1.46 5.85 -0.69 -0.45 115.31 121.90 2cxs h LEU 296 Ca 0.21 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2cxs h LEU 296 Cb 0.41 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2cxs h LEU 296 CO 0.01 0.16 0.55 -0.07 -0.34 0.00 0.00 178.44 178.75 2cxs h LEU 297 N 0.24 0.92 -0.88 2.25 3.38 -1.08 -2.33 115.31 117.81 2cxs h LEU 297 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2cxs h LEU 297 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2cxs h LEU 297 CO -0.01 0.64 0.05 0.28 0.09 0.00 0.00 178.44 179.48 2cxs h SER 298 N 1.07 0.84 -0.45 -0.43 0.02 -0.53 -0.06 113.55 114.02 2cxs h SER 298 Ca 0.33 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2cxs h SER 298 Cb -0.01 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2cxs h SER 298 CO -0.11 0.88 0.20 1.23 -1.14 0.00 0.00 176.83 177.89 2cxs h GLY 299 N 1.00 0.70 1.01 -3.77 0.00 -0.84 -0.80 103.07 100.38 2cxs h GLY 299 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2cxs h GLY 299 CO 0.01 0.34 0.45 0.00 0.00 0.00 0.00 176.54 177.35 2cxs h ALA 300 N 1.04 1.00 -0.90 3.60 0.00 -1.06 -2.39 119.26 120.55 2cxs h ALA 300 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cxs h ALA 300 Cb 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2cxs h ALA 300 CO -0.02 0.48 0.57 1.25 0.00 0.00 0.00 179.25 181.54 2cxs h HIS 301 N 1.08 1.16 -0.30 0.00 6.17 -0.68 0.11 115.15 122.68 2cxs h HIS 301 Ca 0.28 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.40 2cxs h HIS 301 Cb -0.01 -0.39 -0.03 0.00 2.52 0.00 0.00 27.41 29.51 2cxs h HIS 301 CO -0.00 0.75 0.13 2.35 0.71 0.00 0.00 177.93 181.86 2cxs h TRP 302 N 1.23 0.23 -0.22 5.26 7.01 -0.80 -1.41 115.95 127.25 2cxs h TRP 302 Ca 0.33 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.25 2cxs h TRP 302 Cb -0.10 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 2cxs h TRP 302 CO -0.00 0.12 -0.25 1.98 -2.79 0.00 0.00 178.44 177.49 2cxs h MET 303 N 0.27 0.42 -0.39 2.65 4.05 -0.93 -0.76 114.93 120.24 2cxs h MET 303 Ca 0.13 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2cxs h MET 303 Cb 0.08 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2cxs h MET 303 CO -0.11 0.64 0.25 -0.44 0.23 0.00 0.00 176.91 177.47 2cxs h ASP 304 N 0.37 0.41 -0.42 1.39 3.32 -0.35 0.02 116.42 121.17 2cxs h ASP 304 Ca 0.06 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 2cxs h ASP 304 Cb 0.64 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2cxs h ASP 304 CO 0.05 0.30 -0.07 1.56 -1.72 0.00 0.00 179.24 179.36 2cxs h GLN 305 N 0.50 0.85 -0.16 3.56 1.08 -0.91 0.05 115.11 120.09 2cxs h GLN 305 Ca 0.15 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2cxs h GLN 305 Cb -0.03 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2cxs h GLN 305 CO -0.05 0.89 0.05 1.25 -0.95 0.00 0.00 178.83 180.02 2cxs h HIS 306 N 0.78 0.09 -0.81 2.96 2.76 -0.83 -1.31 115.15 118.79 2cxs h HIS 306 Ca 0.14 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2cxs h HIS 306 Cb 0.56 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 2cxs h HIS 306 CO 0.03 0.04 0.50 0.35 -1.30 0.00 0.00 177.93 177.55 2cxs h PHE 307 N 0.12 1.06 -0.24 5.26 3.57 -0.66 -2.38 116.94 123.68 2cxs h PHE 307 Ca 0.07 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 2cxs h PHE 307 Cb 0.04 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2cxs h PHE 307 CO -0.11 0.70 -0.49 1.25 -2.23 0.00 0.00 178.31 177.43 2cxs h LEU 308 N 1.11 0.72 0.00 0.59 5.85 -0.79 -3.37 115.31 119.41 2cxs h LEU 308 Ca 0.29 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2cxs h LEU 308 Cb -0.05 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2cxs h LEU 308 CO -0.06 1.09 -0.64 0.29 -0.34 0.00 0.00 178.44 178.79 2cxs n LYS 309 N -4.00 2.87 -3.52 1.25 5.02 -0.51 -4.99 118.16 114.28 2cxs n LYS 309 Ca -0.03 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 2cxs n LYS 309 Cb 0.58 -1.08 -0.06 0.00 -0.02 0.00 0.00 35.03 34.45 2cxs n LYS 309 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2cxs s THR 310 N -2.18 5.22 0.31 -0.18 2.01 -0.90 -5.05 115.64 114.88 2cxs s THR 310 Ca 0.04 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.43 2cxs s THR 310 Cb 0.09 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.80 2cxs s THR 310 CO 0.49 0.46 1.09 -2.65 -0.69 0.00 0.00 174.62 173.32 2cxs n PRO 311 N 2.90 1.58 -0.30 4.92 -0.02 -1.26 -4.70 135.00 138.12 2cxs n PRO 311 Ca -0.12 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2cxs n PRO 311 Cb 0.52 -2.00 0.37 0.00 -0.02 0.00 0.00 33.50 32.38 2cxs n PRO 311 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2cxs h LEU 312 N 2.12 0.68 -0.94 2.45 3.38 -1.96 -0.04 115.31 120.98 2cxs h LEU 312 Ca -0.42 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2cxs h LEU 312 Cb 1.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2cxs h LEU 312 CO 0.61 0.30 0.00 -1.84 0.09 0.00 0.00 178.44 177.60 2cxs n GLU 313 N -4.62 0.17 -0.15 1.13 0.00 -1.26 -2.36 120.64 113.55 2cxs n GLU 313 Ca 0.20 0.50 0.05 0.00 0.00 0.00 0.00 57.16 57.91 2cxs n GLU 313 Cb 0.54 -1.89 0.07 0.00 0.00 0.00 0.00 31.44 30.16 2cxs n GLU 313 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cxs n LYS 314 N -2.23 1.19 -3.51 3.44 4.76 -0.07 -5.02 118.16 116.72 2cxs n LYS 314 Ca 0.01 -1.85 -0.42 0.00 -2.87 0.00 0.00 58.31 53.18 2cxs n LYS 314 Cb 0.16 -1.09 -0.10 0.00 -1.84 0.00 0.00 35.03 32.15 2cxs n LYS 314 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2cxs s ASN 315 N -1.86 5.97 0.11 4.39 3.84 -0.96 -4.88 114.94 121.55 2cxs s ASN 315 Ca 0.16 -0.87 -0.28 0.00 0.21 0.00 0.00 52.86 52.08 2cxs s ASN 315 Cb 0.14 -2.11 -0.10 0.00 -0.55 0.00 0.00 41.25 38.63 2cxs s ASN 315 CO 0.02 -0.40 1.63 0.00 -2.79 0.00 0.00 177.10 175.55 2cxs h ALA 316 N 8.55 -0.52 -0.28 1.71 0.00 -1.91 -0.49 119.26 126.32 2cxs h ALA 316 Ca -0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2cxs h ALA 316 Cb 1.12 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2cxs h ALA 316 CO 0.70 -0.84 0.09 -1.00 0.00 0.00 0.00 179.25 178.20 2cxs h PRO 317 N -0.54 0.39 -0.16 0.00 0.13 -1.94 -1.55 132.00 128.34 2cxs h PRO 317 Ca 0.02 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2cxs h PRO 317 Cb 0.54 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2cxs h PRO 317 CO -0.13 0.34 -0.01 0.28 -0.23 0.00 0.00 178.00 178.26 2cxs h VAL 318 N 0.39 1.26 -0.68 1.56 2.07 -1.71 -1.49 116.25 117.64 2cxs h VAL 318 Ca 0.10 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2cxs h VAL 318 Cb 0.12 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2cxs h VAL 318 CO -0.01 0.26 0.29 -0.07 0.02 0.00 0.00 177.57 178.06 2cxs h LEU 319 N 0.02 0.93 -0.81 2.57 3.38 -0.84 -0.11 115.31 120.44 2cxs h LEU 319 Ca 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2cxs h LEU 319 Cb 0.39 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2cxs h LEU 319 CO 0.01 0.84 0.46 -0.07 0.09 0.00 0.00 178.44 179.77 2cxs h LEU 320 N 0.97 1.01 -0.46 1.67 3.38 -1.28 -0.93 115.31 119.67 2cxs h LEU 320 Ca 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2cxs h LEU 320 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2cxs h LEU 320 CO -0.02 0.81 0.21 0.00 0.09 0.00 0.00 178.44 179.53 2cxs h ALA 321 N 1.24 0.59 -0.59 1.53 0.00 -0.79 -2.00 119.26 119.25 2cxs h ALA 321 Ca 0.29 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2cxs h ALA 321 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2cxs h ALA 321 CO -0.05 0.16 -0.02 -0.07 0.00 0.00 0.00 179.25 179.28 2cxs h LEU 322 N 0.60 1.04 -0.88 0.00 3.38 -0.72 -0.52 115.31 118.21 2cxs h LEU 322 Ca 0.16 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2cxs h LEU 322 Cb 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2cxs h LEU 322 CO -0.02 1.10 0.50 -0.07 0.09 0.00 0.00 178.44 180.04 2cxs h LEU 323 N 0.95 1.08 -0.35 1.67 3.38 -1.11 -0.79 115.31 120.14 2cxs h LEU 323 Ca 0.17 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2cxs h LEU 323 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2cxs h LEU 323 CO 0.03 0.86 0.19 1.23 0.09 0.00 0.00 178.44 180.84 2cxs h GLY 324 N 1.22 0.48 0.76 0.83 0.00 -0.86 -1.89 103.07 103.62 2cxs h GLY 324 Ca 0.31 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.54 2cxs h GLY 324 CO -0.05 0.11 0.28 -2.22 0.00 0.00 0.00 176.54 174.66 2cxs h ILE 325 N 0.39 0.98 -0.45 2.60 1.08 -0.67 0.77 117.51 122.22 2cxs h ILE 325 Ca 0.15 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 2cxs h ILE 325 Cb 0.04 0.38 -0.07 0.00 -3.07 0.00 0.00 36.82 34.10 2cxs h ILE 325 CO -0.09 0.10 0.01 -0.25 -0.69 0.00 0.00 178.15 177.24 2cxs h TRP 326 N 0.55 -0.00 -0.02 1.37 -0.00 -0.82 0.24 115.95 117.27 2cxs h TRP 326 Ca 0.23 0.03 -0.23 0.00 -0.00 0.00 0.00 58.89 58.92 2cxs h TRP 326 Cb 0.11 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 29.34 2cxs h TRP 326 CO -0.09 -0.08 -0.92 1.88 -0.00 0.00 0.00 178.44 179.23 2cxs h TYR 327 N 0.13 0.68 -0.00 2.65 0.05 -0.92 -2.32 116.97 117.24 2cxs h TYR 327 Ca 0.22 -0.36 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 2cxs h TYR 327 Cb 0.32 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2cxs h TYR 327 CO -0.28 1.18 -0.01 0.82 -1.05 0.00 0.00 178.16 178.82 2cxs h ILE 328 N 0.27 1.59 0.00 -2.88 2.04 -0.61 0.29 117.51 118.21 2cxs h ILE 328 Ca -0.08 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2cxs h ILE 328 Cb 1.55 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 40.42 2cxs h ILE 328 CO 0.16 0.46 -1.29 0.59 0.00 0.00 0.00 178.15 178.07 2cxs n ASN 329 N -4.72 0.52 -0.08 1.72 4.13 0.81 -2.78 115.26 114.85 2cxs n ASN 329 Ca -0.09 -0.18 -0.16 0.00 1.68 0.00 0.00 54.58 55.82 2cxs n ASN 329 Cb 0.37 1.12 -0.07 0.00 -1.54 0.00 0.00 39.78 39.66 2cxs n ASN 329 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cxs h TYR 331 N -0.42 0.00 0.00 0.00 -1.99 -1.36 -3.49 116.97 109.71 2cxs h TYR 331 Ca -0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 2cxs h TYR 331 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.16 2cxs h TYR 331 CO -0.03 0.54 0.00 0.41 -0.00 0.00 0.00 178.16 179.07 2cxs n GLY 332 N 1.30 0.39 3.69 3.88 0.00 -0.05 -4.99 105.19 109.41 2cxs n GLY 332 Ca -0.03 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2cxs n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cxs h GLU 334 N 7.72 0.00 -5.65 0.00 5.08 -1.90 -3.40 114.58 116.43 2cxs h GLU 334 Ca -0.37 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.43 2cxs h GLU 334 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 2cxs h GLU 334 CO 0.90 0.65 -0.65 0.95 -1.00 0.00 0.00 179.01 179.86 2cxs s THR 335 N -3.40 1.86 -0.07 1.13 -4.23 -1.26 -0.90 115.64 108.77 2cxs s THR 335 Ca -0.00 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 2cxs s THR 335 Cb 0.12 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.33 2cxs s THR 335 CO 0.76 -0.17 0.12 -2.28 -0.54 0.00 0.00 174.62 172.52 2cxs s HIS 336 N -2.85 -0.09 -0.15 3.99 2.46 -0.03 -4.25 115.29 114.37 2cxs s HIS 336 Ca 0.32 0.47 -0.12 0.00 0.47 0.00 0.00 55.06 56.21 2cxs s HIS 336 Cb 0.05 -0.32 -0.05 0.00 -0.13 0.00 0.00 32.58 32.13 2cxs s HIS 336 CO 0.15 -0.23 0.23 0.00 -2.47 0.00 0.00 174.74 172.42 2cxs s ALA 337 N 2.16 3.68 -0.26 1.58 0.00 -0.51 -2.42 121.76 125.99 2cxs s ALA 337 Ca 0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2cxs s ALA 337 Cb -0.12 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2cxs s ALA 337 CO -0.05 0.23 0.03 -0.51 0.00 0.00 0.00 175.76 175.46 2cxs s LEU 338 N 0.05 3.38 -0.60 0.00 1.43 -0.09 -0.62 118.68 122.23 2cxs s LEU 338 Ca 0.14 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2cxs s LEU 338 Cb -0.13 -1.83 0.17 0.00 0.03 0.00 0.00 46.19 44.44 2cxs s LEU 338 CO 0.03 -0.09 0.45 0.18 0.23 0.00 0.00 176.35 177.15 2cxs n LEU 339 N 4.84 1.75 -4.70 1.79 4.77 0.37 -3.95 117.00 121.87 2cxs n LEU 339 Ca -0.16 -4.91 -0.42 0.00 -0.03 0.00 0.00 56.01 50.48 2cxs n LEU 339 Cb 0.50 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2cxs n LEU 339 CO 0.30 1.81 0.83 -2.16 -1.33 0.00 0.00 177.39 176.84 2cxs s PRO 340 N -0.95 4.44 -1.34 3.23 0.04 -1.26 -2.32 135.00 136.85 2cxs s PRO 340 Ca 0.28 1.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 2cxs s PRO 340 Cb -0.00 -3.47 0.12 0.00 0.04 0.00 0.00 34.50 31.18 2cxs s PRO 340 CO -0.18 -0.27 2.10 0.66 0.04 0.00 0.00 177.00 179.36 2cxs n TYR 341 N 4.49 2.90 -3.29 0.56 4.02 0.20 -1.28 117.16 124.77 2cxs n TYR 341 Ca 0.09 -2.84 0.03 0.00 -0.01 0.00 0.00 57.90 55.17 2cxs n TYR 341 Cb 0.48 -2.04 -0.03 0.00 -0.02 0.00 0.00 39.34 37.74 2cxs n TYR 341 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2cxs s ASP 342 N 1.14 -0.84 0.31 7.72 2.15 -1.25 -4.69 116.67 121.23 2cxs s ASP 342 Ca 0.45 0.78 0.01 0.00 0.43 0.00 0.00 52.55 54.22 2cxs s ASP 342 Cb 0.13 1.80 0.52 0.00 -0.30 0.00 0.00 42.92 45.07 2cxs s ASP 342 CO -0.03 -0.16 1.91 -0.61 -0.17 0.00 0.00 175.17 176.11 2cxs h GLN 343 N 7.85 0.81 0.00 4.34 5.75 -1.86 -1.73 115.11 130.27 2cxs h GLN 343 Ca -0.17 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 2cxs h GLN 343 Cb 1.14 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 2cxs h GLN 343 CO 0.08 0.65 -0.05 1.88 -2.65 0.00 0.00 178.83 178.74 2cxs h TYR 344 N 0.81 0.00 -0.22 3.99 0.99 -1.91 -1.95 116.97 118.68 2cxs h TYR 344 Ca 0.20 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.89 2cxs h TYR 344 Cb 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.83 2cxs h TYR 344 CO 0.01 0.05 0.04 -1.33 -0.00 0.00 0.00 178.16 176.93 2cxs n MET 345 N -4.39 2.12 0.13 4.88 2.81 -0.65 -2.69 117.12 119.33 2cxs n MET 345 Ca -0.03 -1.03 0.10 0.00 -1.81 0.00 0.00 57.70 54.93 2cxs n MET 345 Cb 0.13 -1.68 0.49 0.00 -0.71 0.00 0.00 33.22 31.44 2cxs n MET 345 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2cxs n HIS 346 N 0.16 0.67 -0.10 2.03 1.44 -0.74 -1.60 115.22 117.09 2cxs n HIS 346 Ca 0.11 0.30 0.06 0.00 -2.01 0.00 0.00 57.72 56.18 2cxs n HIS 346 Cb 0.63 -0.99 0.15 0.00 0.12 0.00 0.00 29.99 29.90 2cxs n HIS 346 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2cxs n ARG 347 N -2.15 2.57 -0.05 -1.40 5.12 -1.26 -4.65 116.66 114.83 2cxs n ARG 347 Ca 0.01 -1.96 -0.10 0.00 -1.93 0.00 0.00 57.85 53.86 2cxs n ARG 347 Cb 0.13 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.11 2cxs n ARG 347 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2cxs h PHE 348 N 2.15 0.29 -0.55 -1.55 3.57 -1.64 -1.68 116.94 117.53 2cxs h PHE 348 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2cxs h PHE 348 Cb 0.71 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2cxs h PHE 348 CO 0.21 0.26 0.25 0.00 -2.23 0.00 0.00 178.31 176.80 2cxs h ALA 349 N 1.00 0.71 -0.84 2.41 0.00 -1.83 -2.33 119.26 118.39 2cxs h ALA 349 Ca 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2cxs h ALA 349 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2cxs h ALA 349 CO -0.01 0.29 0.55 0.00 0.00 0.00 0.00 179.25 180.08 2cxs h ALA 350 N 1.09 1.43 -0.18 0.00 0.00 -1.84 -1.02 119.26 118.74 2cxs h ALA 350 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cxs h ALA 350 Cb 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2cxs h ALA 350 CO -0.02 0.52 0.10 -0.92 0.00 0.00 0.00 179.25 178.93 2cxs h TYR 351 N 1.11 0.24 0.00 0.00 3.20 -0.93 -2.69 116.97 117.90 2cxs h TYR 351 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2cxs h TYR 351 Cb -0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.11 2cxs h TYR 351 CO -0.00 0.22 0.00 1.19 -1.64 0.00 0.00 178.16 177.93 2cxs n PHE 352 N -4.92 0.00 0.03 -3.82 3.01 -0.91 -1.86 117.46 108.99 2cxs n PHE 352 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.30 2cxs n PHE 352 Cb 0.07 -0.37 -0.06 0.00 -0.01 0.00 0.00 39.48 39.10 2cxs n PHE 352 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2cxs h GLN 353 N 0.00 0.04 0.20 -1.08 4.20 -0.84 0.05 115.11 117.68 2cxs h GLN 353 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2cxs h GLN 353 Cb 0.34 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2cxs h GLN 353 CO 0.00 0.03 -0.10 0.37 -0.67 0.00 0.00 178.83 178.46 2cxs h GLN 354 N 0.04 -0.26 -0.65 1.46 4.15 -1.49 -0.73 115.11 117.63 2cxs h GLN 354 Ca 0.01 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.55 2cxs h GLN 354 Cb -0.00 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.67 2cxs h GLN 354 CO -0.00 0.07 0.25 0.78 -1.93 0.00 0.00 178.83 177.99 2cxs h GLY 355 N -0.62 0.93 0.00 2.39 0.00 -1.36 -0.19 103.07 104.22 2cxs h GLY 355 Ca -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2cxs h GLY 355 CO 0.05 -0.03 -0.25 -1.80 0.00 0.00 0.00 176.54 174.51 2cxs h ASP 356 N 0.43 0.00 0.06 0.19 1.82 -1.08 -3.29 116.42 114.54 2cxs h ASP 356 Ca 0.33 -0.22 -0.15 0.00 -0.39 0.00 0.00 57.03 56.60 2cxs h ASP 356 Cb 0.43 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2cxs h ASP 356 CO -0.33 0.75 -0.52 0.24 -1.61 0.00 0.00 179.24 177.76 2cxs h MET 357 N -1.00 0.51 0.00 0.28 2.86 -1.08 0.10 114.93 116.60 2cxs h MET 357 Ca -0.03 -0.31 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 2cxs h MET 357 Cb 0.43 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2cxs h MET 357 CO -0.02 0.91 -0.50 1.49 1.06 0.00 0.00 176.91 179.85 2cxs h GLU 358 N 0.40 0.00 0.05 1.72 4.81 -1.10 -0.83 114.58 119.64 2cxs h GLU 358 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2cxs h GLU 358 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2cxs h GLU 358 CO 0.10 0.50 -0.03 0.77 -0.73 0.00 0.00 179.01 179.62 2cxs h SER 359 N 0.00 -0.06 -0.24 1.04 0.02 -1.52 -3.40 113.55 109.39 2cxs h SER 359 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2cxs h SER 359 Cb 1.03 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2cxs h SER 359 CO 0.06 0.62 0.00 0.59 -1.14 0.00 0.00 176.83 176.97 2cxs n ASN 360 N -4.79 2.60 -3.85 3.07 3.02 0.31 -4.13 115.26 111.48 2cxs n ASN 360 Ca -0.08 -1.82 -0.42 0.00 -0.03 0.00 0.00 54.58 52.23 2cxs n ASN 360 Cb 0.32 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2cxs n ASN 360 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cxs n GLY 361 N 0.56 4.12 3.19 7.41 0.00 -0.32 -1.21 105.19 118.94 2cxs n GLY 361 Ca 0.10 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2cxs n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cxs s LYS 362 N 3.39 0.89 0.00 1.61 -0.14 -1.26 -4.97 119.74 119.26 2cxs s LYS 362 Ca 0.48 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 2cxs s LYS 362 Cb 0.13 -0.35 0.00 0.00 -1.68 0.00 0.00 37.83 35.93 2cxs s LYS 362 CO -0.06 0.02 0.05 2.48 -0.76 0.00 0.00 175.35 177.07 2cxs n TYR 363 N -0.02 0.00 -4.58 3.18 0.18 -1.26 -4.73 117.16 109.93 2cxs n TYR 363 Ca -0.12 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.33 2cxs n TYR 363 Cb 0.60 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.44 2cxs n TYR 363 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2cxs s ILE 364 N -0.09 3.56 0.64 -3.48 -1.09 -1.26 -0.76 121.20 118.71 2cxs s ILE 364 Ca 0.00 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 2cxs s ILE 364 Cb 0.00 -2.52 0.07 0.00 -1.58 0.00 0.00 42.46 38.43 2cxs s ILE 364 CO 0.00 0.53 0.89 0.42 -1.23 0.00 0.00 174.94 175.55 2cxs s THR 365 N 0.09 2.43 0.52 2.92 -4.23 0.12 -4.49 115.64 113.00 2cxs s THR 365 Ca -0.03 -0.56 0.17 0.00 -1.18 0.00 0.00 61.69 60.09 2cxs s THR 365 Cb -0.14 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.12 2cxs s THR 365 CO 0.03 0.00 2.13 0.50 -0.54 0.00 0.00 174.62 176.74 2cxs h LYS 366 N -0.26 0.01 0.00 3.99 3.64 -1.21 -0.54 116.57 122.21 2cxs h LYS 366 Ca -0.41 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2cxs h LYS 366 Cb 1.29 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2cxs h LYS 366 CO 0.50 0.01 0.00 -1.13 -2.27 0.00 0.00 179.45 176.56 2cxs n SER 367 N -4.52 0.09 0.00 4.20 3.41 -1.26 -4.89 113.62 110.65 2cxs n SER 367 Ca -0.01 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2cxs n SER 367 Cb 0.16 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2cxs n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cxs n GLY 368 N 1.26 0.68 3.76 5.00 0.00 -0.21 -5.06 105.19 110.61 2cxs n GLY 368 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2cxs n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cxs s ALA 369 N -2.37 3.39 0.26 4.61 0.00 -1.26 -4.72 121.76 121.67 2cxs s ALA 369 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2cxs s ALA 369 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 2cxs s ALA 369 CO 0.00 -0.11 1.28 0.50 0.00 0.00 0.00 175.76 177.43 2cxs s ARG 370 N -1.44 4.41 0.41 0.00 3.52 -1.26 -0.70 118.95 123.90 2cxs s ARG 370 Ca 0.44 2.08 -0.27 0.00 -0.13 0.00 0.00 55.73 57.86 2cxs s ARG 370 Cb -0.31 -3.15 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 2cxs s ARG 370 CO 0.39 -0.16 1.44 0.14 -0.81 0.00 0.00 175.30 176.30 2cxs s VAL 371 N -0.53 2.13 -0.30 7.11 -7.23 0.06 -4.59 120.40 117.05 2cxs s VAL 371 Ca 0.52 0.12 0.08 0.00 -1.81 0.00 0.00 61.98 60.89 2cxs s VAL 371 Cb -0.37 -3.08 0.46 0.00 0.56 0.00 0.00 36.38 33.95 2cxs s VAL 371 CO 0.44 0.02 1.34 -0.90 -0.31 0.00 0.00 175.10 175.70 2cxs n ASP 372 N 0.14 3.72 -3.89 4.85 5.75 -1.26 -5.00 116.55 120.85 2cxs n ASP 372 Ca 0.03 -3.81 -0.09 0.00 -0.01 0.00 0.00 54.79 50.91 2cxs n ASP 372 Cb 0.41 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 2cxs n ASP 372 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2cxs s HIS 373 N -3.44 0.11 0.46 2.11 -3.43 -1.26 -5.03 115.29 104.81 2cxs s HIS 373 Ca 0.47 -0.48 -0.23 0.00 -0.80 0.00 0.00 55.06 54.02 2cxs s HIS 373 Cb 0.41 0.34 -0.08 0.00 -1.43 0.00 0.00 32.58 31.82 2cxs s HIS 373 CO -0.00 -1.00 1.12 -0.65 -2.00 0.00 0.00 174.74 172.21 2cxs s GLN 374 N -3.95 3.80 0.00 -0.38 -1.52 -1.26 -5.06 119.66 111.29 2cxs s GLN 374 Ca 0.16 1.66 0.00 0.00 -1.95 0.00 0.00 55.36 55.23 2cxs s GLN 374 Cb -0.02 -2.36 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 2cxs s GLN 374 CO 0.04 -0.49 0.00 0.25 -0.25 0.00 0.00 175.29 174.85 2cxs n THR 375 N -0.53 0.00 -1.68 -0.19 -2.24 -1.26 -4.90 114.28 103.48 2cxs n THR 375 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 2cxs n THR 375 Cb 0.49 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.73 2cxs n THR 375 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cxs n GLY 376 N 5.00 0.32 3.92 3.38 0.00 -0.35 -4.99 105.19 112.46 2cxs n GLY 376 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2cxs n GLY 376 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cxs s PRO 377 N -2.18 2.54 -0.19 1.61 0.04 -1.26 -4.79 135.00 130.76 2cxs s PRO 377 Ca 0.62 -0.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 2cxs s PRO 377 Cb -0.52 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2cxs s PRO 377 CO 0.57 -1.03 0.98 0.42 0.04 0.00 0.00 177.00 177.98 2cxs s ILE 378 N -3.19 4.75 -0.12 0.56 1.01 -0.08 -4.68 121.20 119.46 2cxs s ILE 378 Ca 0.58 1.93 -0.09 0.00 0.00 0.00 0.00 60.65 63.06 2cxs s ILE 378 Cb -0.11 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2cxs s ILE 378 CO 0.46 -0.10 0.19 -0.69 0.00 0.00 0.00 174.94 174.80 2cxs s VAL 379 N 2.75 5.41 0.32 2.92 1.01 -1.26 -0.85 120.40 130.69 2cxs s VAL 379 Ca 0.43 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 2cxs s VAL 379 Cb -0.16 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2cxs s VAL 379 CO 0.10 0.57 0.69 -1.66 0.00 0.00 0.00 175.10 174.80 2cxs s TRP 380 N -0.69 0.07 0.00 5.22 1.48 -1.01 -4.78 118.94 119.23 2cxs s TRP 380 Ca 0.15 -0.58 0.00 0.00 -1.06 0.00 0.00 56.10 54.61 2cxs s TRP 380 Cb -0.13 0.63 0.00 0.00 -1.16 0.00 0.00 33.47 32.82 2cxs s TRP 380 CO 0.04 -1.31 0.00 0.41 -4.06 0.00 0.00 176.95 172.03 2cxs n GLY 381 N -0.48 3.59 3.08 3.67 0.00 -1.26 -0.92 105.19 112.88 2cxs n GLY 381 Ca -0.05 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 2cxs n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cxs s GLU 382 N -2.43 0.59 0.52 1.61 0.41 -1.25 -4.84 118.70 113.30 2cxs s GLU 382 Ca 0.00 -0.95 -0.23 0.00 -0.41 0.00 0.00 54.97 53.38 2cxs s GLU 382 Cb 0.00 -0.15 -0.06 0.00 -1.78 0.00 0.00 34.13 32.14 2cxs s GLU 382 CO 0.00 -0.00 1.36 -1.25 -0.49 0.00 0.00 175.26 174.88 2cxs s PRO 383 N -2.46 3.32 0.42 0.39 0.04 -1.26 -4.45 135.00 131.00 2cxs s PRO 383 Ca -0.03 2.26 -0.21 0.00 0.04 0.00 0.00 61.00 63.06 2cxs s PRO 383 Cb -0.04 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 32.02 2cxs s PRO 383 CO -0.02 -1.06 0.95 0.20 0.04 0.00 0.00 177.00 177.10 2cxs s GLY 384 N -0.86 2.41 0.00 0.56 0.00 -0.40 -2.40 107.32 106.63 2cxs s GLY 384 Ca 0.68 0.40 0.28 0.00 0.00 0.00 0.00 44.72 46.08 2cxs s GLY 384 CO 0.49 0.69 1.75 -1.30 0.00 0.00 0.00 173.10 174.73 2cxs n THR 385 N -0.58 0.00 -0.23 0.90 -2.24 -1.26 -3.74 114.28 107.13 2cxs n THR 385 Ca 0.07 -0.20 0.04 0.00 -2.27 0.00 0.00 64.05 61.68 2cxs n THR 385 Cb 0.54 0.39 0.15 0.00 -2.10 0.00 0.00 70.33 69.31 2cxs n THR 385 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2cxs h ASN 386 N 1.92 -0.09 -0.92 3.42 2.35 -1.84 -0.72 115.58 119.71 2cxs h ASN 386 Ca 0.00 0.15 0.17 0.00 -0.55 0.00 0.00 56.30 56.07 2cxs h ASN 386 Cb 0.46 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 2cxs h ASN 386 CO 0.00 -0.06 0.59 1.23 -1.65 0.00 0.00 177.43 177.54 2cxs h GLY 387 N 0.22 1.25 0.85 2.83 0.00 -1.73 -0.86 103.07 105.63 2cxs h GLY 387 Ca 0.39 -0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.58 2cxs h GLY 387 CO -0.52 0.04 0.43 1.46 0.00 0.00 0.00 176.54 177.95 2cxs h GLN 388 N 0.65 0.17 -0.68 4.80 4.20 -1.44 -0.37 115.11 122.44 2cxs h GLN 388 Ca 0.48 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.18 2cxs h GLN 388 Cb 0.86 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2cxs h GLN 388 CO -0.23 0.11 0.00 0.72 -0.67 0.00 0.00 178.83 178.76 2cxs n HIS 389 N -4.42 0.90 0.03 2.96 8.25 -0.34 -4.28 115.22 118.33 2cxs n HIS 389 Ca 0.11 -0.48 -0.00 0.00 -0.26 0.00 0.00 57.72 57.09 2cxs n HIS 389 Cb 0.57 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.67 2cxs n HIS 389 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cxs n ALA 390 N 1.55 2.93 -0.44 -1.41 0.00 -0.50 -5.00 120.51 117.65 2cxs n ALA 390 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2cxs n ALA 390 Cb 0.61 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.24 2cxs n ALA 390 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2cxs n PHE 391 N -3.27 0.00 0.27 0.00 1.16 -0.27 -4.73 117.46 110.63 2cxs n PHE 391 Ca -0.00 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.71 2cxs n PHE 391 Cb 0.01 0.00 0.77 0.00 -1.61 0.00 0.00 39.48 38.65 2cxs n PHE 391 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 2cxs h TYR 392 N 0.00 0.00 -0.74 2.97 -1.99 -1.68 -1.67 116.97 113.85 2cxs h TYR 392 Ca 0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 2cxs h TYR 392 Cb 0.22 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.82 2cxs h TYR 392 CO 0.00 0.10 0.06 0.37 -0.00 0.00 0.00 178.16 178.69 2cxs h GLN 393 N 0.00 0.14 -0.33 4.88 5.75 -1.85 0.69 115.11 124.40 2cxs h GLN 393 Ca -0.00 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.35 2cxs h GLN 393 Cb 0.30 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2cxs h GLN 393 CO 0.01 0.09 -0.36 1.25 -2.65 0.00 0.00 178.83 177.18 2cxs h LEU 394 N 0.15 0.79 -0.69 -2.39 6.46 -1.66 -0.03 115.31 117.94 2cxs h LEU 394 Ca 0.41 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2cxs h LEU 394 Cb 0.73 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2cxs h LEU 394 CO -0.62 1.07 0.22 0.40 -0.62 0.00 0.00 178.44 178.89 2cxs h ILE 395 N 0.62 1.25 0.11 4.05 2.04 -1.17 0.67 117.51 125.08 2cxs h ILE 395 Ca 0.06 -0.88 -0.29 0.00 1.00 0.00 0.00 64.86 64.75 2cxs h ILE 395 Cb 0.90 0.52 0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2cxs h ILE 395 CO 0.08 0.34 -1.21 0.45 0.00 0.00 0.00 178.15 177.81 2cxs h HIS 396 N 1.01 1.01 0.00 1.37 3.86 -0.83 -3.41 115.15 118.16 2cxs h HIS 396 Ca 0.22 -0.63 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2cxs h HIS 396 Cb 0.30 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2cxs h HIS 396 CO 0.02 1.47 -0.27 1.04 0.86 0.00 0.00 177.93 181.05 2cxs n GLN 397 N -3.81 0.47 -0.13 2.45 6.02 -0.03 -4.61 117.38 117.74 2cxs n GLN 397 Ca -0.13 -1.29 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 2cxs n GLN 397 Cb 0.97 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 31.48 2cxs n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cxs n GLY 398 N -0.34 0.31 0.47 1.08 0.00 0.22 -4.93 105.19 102.01 2cxs n GLY 398 Ca 0.03 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.30 2cxs n GLY 398 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cxs n THR 399 N -0.48 1.68 -4.67 2.61 -2.24 -1.26 -5.00 114.28 104.92 2cxs n THR 399 Ca 0.00 -1.63 -0.33 0.00 -2.27 0.00 0.00 64.05 59.82 2cxs n THR 399 Cb 0.00 0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.16 2cxs n THR 399 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cxs s LYS 400 N -2.12 2.57 -0.21 -0.78 3.01 -1.26 -5.11 119.74 115.84 2cxs s LYS 400 Ca 0.28 -0.67 -0.18 0.00 -1.01 0.00 0.00 55.97 54.40 2cxs s LYS 400 Cb 0.22 -2.47 -0.03 0.00 -1.01 0.00 0.00 37.83 34.53 2cxs s LYS 400 CO 0.07 0.63 0.49 1.41 0.51 0.00 0.00 175.35 178.46 2cxs s MET 401 N -0.99 4.16 -0.32 1.68 -2.45 -1.26 -4.94 119.30 115.19 2cxs s MET 401 Ca 0.13 0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 54.91 2cxs s MET 401 Cb -0.11 -3.57 0.10 0.00 1.25 0.00 0.00 34.83 32.50 2cxs s MET 401 CO 0.03 -0.16 0.12 0.42 1.05 0.00 0.00 175.02 176.48 2cxs s ILE 402 N 1.69 0.78 0.21 10.11 1.01 -1.26 -4.69 121.20 129.05 2cxs s ILE 402 Ca 0.22 -1.44 -0.32 0.00 0.00 0.00 0.00 60.65 59.11 2cxs s ILE 402 Cb -0.15 -1.59 -0.12 0.00 0.01 0.00 0.00 42.46 40.60 2cxs s ILE 402 CO 0.09 -0.72 1.68 -2.65 0.00 0.00 0.00 174.94 173.35 2cxs n PRO 403 N 4.75 2.65 -5.04 2.79 -0.02 -1.26 -4.80 135.00 134.07 2cxs n PRO 403 Ca -0.01 0.96 -0.29 0.00 -2.02 0.00 0.00 63.50 62.14 2cxs n PRO 403 Cb 0.41 -2.78 -0.16 0.00 -0.02 0.00 0.00 33.50 30.95 2cxs n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cxs s ASP 405 N -0.04 5.96 -0.19 0.00 1.01 0.21 -0.94 116.67 122.68 2cxs s ASP 405 Ca -0.04 -0.32 -0.13 0.00 0.71 0.00 0.00 52.55 52.77 2cxs s ASP 405 Cb -0.13 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 2cxs s ASP 405 CO 0.03 -0.18 0.24 -0.36 0.21 0.00 0.00 175.17 175.12 2cxs s PHE 406 N 1.72 3.41 -0.00 4.23 0.40 0.14 -0.48 117.98 127.40 2cxs s PHE 406 Ca 0.06 0.47 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 2cxs s PHE 406 Cb -0.17 -2.31 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 2cxs s PHE 406 CO 0.10 0.19 -0.18 -0.51 0.70 0.00 0.00 175.22 175.52 2cxs s LEU 407 N 0.65 2.07 -0.22 -0.37 1.02 -0.98 -0.05 118.68 120.79 2cxs s LEU 407 Ca 0.13 -0.36 -0.25 0.00 0.02 0.00 0.00 54.13 53.67 2cxs s LEU 407 Cb -0.13 -0.88 0.07 0.00 0.02 0.00 0.00 46.19 45.27 2cxs s LEU 407 CO 0.03 0.19 0.69 -0.51 0.02 0.00 0.00 176.35 176.77 2cxs s ILE 408 N -0.50 0.00 0.22 -0.59 2.07 -0.75 0.63 121.20 122.27 2cxs s ILE 408 Ca 0.06 -0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 59.01 2cxs s ILE 408 Cb -0.07 -0.97 -0.09 0.00 0.13 0.00 0.00 42.46 41.46 2cxs s ILE 408 CO -0.00 -0.00 0.90 -2.16 -1.91 0.00 0.00 174.94 171.76 2cxs s PRO 409 N 0.06 4.78 0.12 3.50 0.04 -1.26 -2.01 135.00 140.22 2cxs s PRO 409 Ca -0.02 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 2cxs s PRO 409 Cb -0.04 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2cxs s PRO 409 CO 0.03 0.53 1.62 0.28 0.04 0.00 0.00 177.00 179.49 2cxs h VAL 410 N 3.22 1.22 -3.39 -0.36 2.07 -0.61 -3.42 116.25 114.97 2cxs h VAL 410 Ca -0.45 -0.74 -0.60 0.00 0.82 0.00 0.00 66.70 65.73 2cxs h VAL 410 Cb 1.20 1.04 -0.12 0.00 -1.52 0.00 0.00 31.29 31.89 2cxs h VAL 410 CO 0.68 0.25 -0.43 -1.10 0.02 0.00 0.00 177.57 176.99 2cxs s GLN 411 N -5.32 4.17 0.31 1.57 -0.21 -0.20 -5.03 119.66 114.95 2cxs s GLN 411 Ca -0.13 -0.12 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2cxs s GLN 411 Cb 0.09 -3.47 -0.08 0.00 1.00 0.00 0.00 33.01 30.55 2cxs s GLN 411 CO 0.75 0.18 0.68 -0.08 -2.12 0.00 0.00 175.29 174.70 2cxs s THR 412 N 0.70 4.78 -0.28 -0.19 -1.32 -1.26 -4.45 115.64 113.62 2cxs s THR 412 Ca 0.11 0.72 0.28 0.00 -1.21 0.00 0.00 61.69 61.59 2cxs s THR 412 Cb -0.13 -3.64 0.32 0.00 -1.51 0.00 0.00 72.50 67.55 2cxs s THR 412 CO 0.02 -0.22 1.81 1.56 -2.21 0.00 0.00 174.62 175.59 2cxs h GLN 413 N 2.13 0.00 -2.40 7.08 1.08 -1.98 -3.38 115.11 117.64 2cxs h GLN 413 Ca -0.47 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.14 2cxs h GLN 413 Cb 1.18 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.21 2cxs h GLN 413 CO 0.66 0.00 -0.89 0.72 -0.95 0.00 0.00 178.83 178.37 2cxs n HIS 414 N -2.69 0.49 -1.08 2.96 8.25 -1.26 -5.02 115.22 116.87 2cxs n HIS 414 Ca 0.02 -3.65 -0.27 0.00 -0.26 0.00 0.00 57.72 53.56 2cxs n HIS 414 Cb 0.33 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 2cxs n HIS 414 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2cxs n PRO 415 N 2.12 2.82 -1.13 -0.41 -0.04 -1.26 -4.91 135.00 132.19 2cxs n PRO 415 Ca 0.26 -1.66 -0.31 0.00 -0.04 0.00 0.00 63.50 61.75 2cxs n PRO 415 Cb 0.46 -2.47 0.12 0.00 -0.04 0.00 0.00 33.50 31.57 2cxs n PRO 415 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2cxs s ILE 416 N 2.08 2.96 -1.55 0.52 -4.36 -1.26 -3.20 121.20 116.38 2cxs s ILE 416 Ca 0.62 0.31 -0.11 0.00 -0.26 0.00 0.00 60.65 61.21 2cxs s ILE 416 Cb 0.20 -2.70 0.09 0.00 1.25 0.00 0.00 42.46 41.29 2cxs s ILE 416 CO -0.04 -0.41 0.76 0.54 0.24 0.00 0.00 174.94 176.03 2cxs n ARG 417 N -3.74 -4.10 -2.87 0.37 5.12 -1.26 -1.12 116.66 109.06 2cxs n ARG 417 Ca 0.09 0.47 -0.19 0.00 -1.93 0.00 0.00 57.85 56.29 2cxs n ARG 417 Cb 0.53 -5.10 0.00 0.00 -1.16 0.00 0.00 32.46 26.74 2cxs n ARG 417 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2cxs n LYS 418 N -4.48 -3.16 -0.49 5.56 5.02 -1.24 -1.83 118.16 117.54 2cxs n LYS 418 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2cxs n LYS 418 Cb 0.56 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 2cxs n LYS 418 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cxs n GLY 419 N -1.11 0.75 0.15 0.72 0.00 -0.28 -4.99 105.19 100.45 2cxs n GLY 419 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2cxs n GLY 419 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cxs h LEU 420 N 0.00 0.37 -0.53 0.99 5.85 -1.30 -0.72 115.31 119.96 2cxs h LEU 420 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2cxs h LEU 420 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2cxs h LEU 420 CO 0.00 0.27 0.27 0.45 -0.34 0.00 0.00 178.44 179.09 2cxs h HIS 421 N 0.44 0.75 -0.13 1.25 3.86 -1.84 -2.12 115.15 117.35 2cxs h HIS 421 Ca 0.12 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 2cxs h HIS 421 Cb -0.04 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 2cxs h HIS 421 CO -0.06 0.57 -0.46 1.25 0.86 0.00 0.00 177.93 180.09 2cxs h HIS 422 N 0.71 0.39 -0.23 2.45 -0.00 -1.83 -0.69 115.15 115.96 2cxs h HIS 422 Ca 0.18 -0.12 0.03 0.00 -0.00 0.00 0.00 60.37 60.46 2cxs h HIS 422 Cb 0.08 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 2cxs h HIS 422 CO -0.01 0.73 0.06 -0.22 -0.00 0.00 0.00 177.93 178.49 2cxs h LYS 423 N 0.26 0.16 -0.50 5.26 3.64 -0.88 0.49 116.57 125.00 2cxs h LYS 423 Ca 0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2cxs h LYS 423 Cb 0.91 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2cxs h LYS 423 CO 0.08 0.10 0.15 0.82 -2.27 0.00 0.00 179.45 178.33 2cxs h ILE 424 N 0.16 1.23 -0.27 2.00 2.04 -1.12 -1.09 117.51 120.46 2cxs h ILE 424 Ca 0.10 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.20 2cxs h ILE 424 Cb 0.08 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2cxs h ILE 424 CO -0.11 0.29 0.08 0.25 0.00 0.00 0.00 178.15 178.65 2cxs h LEU 425 N 0.68 0.08 -0.69 1.44 5.85 -0.91 -1.68 115.31 120.08 2cxs h LEU 425 Ca 0.16 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2cxs h LEU 425 Cb 0.29 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2cxs h LEU 425 CO -0.00 0.08 0.35 -0.07 -0.34 0.00 0.00 178.44 178.45 2cxs h LEU 426 N 0.20 0.88 -0.84 2.25 3.38 -0.78 -1.36 115.31 119.05 2cxs h LEU 426 Ca 0.12 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2cxs h LEU 426 Cb 0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2cxs h LEU 426 CO -0.13 0.75 0.54 0.00 0.09 0.00 0.00 178.44 179.69 2cxs h ALA 427 N 1.17 1.09 -0.38 1.53 0.00 -0.86 -1.31 119.26 120.49 2cxs h ALA 427 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2cxs h ALA 427 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2cxs h ALA 427 CO -0.03 0.40 -0.17 -0.91 0.00 0.00 0.00 179.25 178.54 2cxs h ASN 428 N 1.07 0.80 -0.53 0.00 2.35 -1.09 -0.33 115.58 117.85 2cxs h ASN 428 Ca 0.32 -0.40 0.08 0.00 -0.55 0.00 0.00 56.30 55.76 2cxs h ASN 428 Cb -0.04 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.04 2cxs h ASN 428 CO -0.10 1.02 0.15 0.15 -1.65 0.00 0.00 177.43 177.01 2cxs h PHE 429 N 0.58 0.26 -0.13 1.19 3.57 -0.85 -1.12 116.94 120.43 2cxs h PHE 429 Ca 0.09 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 2cxs h PHE 429 Cb 0.71 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.42 2cxs h PHE 429 CO 0.06 0.05 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.60 2cxs h LEU 430 N 0.31 0.67 -0.97 0.59 3.38 -1.16 -3.29 115.31 114.83 2cxs h LEU 430 Ca 0.27 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2cxs h LEU 430 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2cxs h LEU 430 CO -0.30 1.18 0.18 0.00 0.09 0.00 0.00 178.44 179.58 2cxs h ALA 431 N 0.51 1.17 -0.40 1.53 0.00 -0.83 -2.44 119.26 118.80 2cxs h ALA 431 Ca -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2cxs h ALA 431 Cb 1.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2cxs h ALA 431 CO 0.11 0.57 -0.07 1.96 0.00 0.00 0.00 179.25 181.82 2cxs h GLN 432 N 0.90 0.75 -0.13 0.00 1.08 -1.28 0.23 115.11 116.66 2cxs h GLN 432 Ca 0.20 -0.28 -0.17 0.00 -1.45 0.00 0.00 58.65 56.95 2cxs h GLN 432 Cb 0.27 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2cxs h GLN 432 CO -0.01 0.88 -0.64 1.79 -0.95 0.00 0.00 178.83 179.90 2cxs h THR 433 N 0.57 1.35 -0.27 -0.54 1.35 -1.63 -0.56 112.91 113.18 2cxs h THR 433 Ca 0.10 -1.95 0.02 0.00 -0.55 0.00 0.00 66.41 64.03 2cxs h THR 433 Cb 0.58 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 2cxs h THR 433 CO 0.03 0.60 0.12 -0.08 -0.25 0.00 0.00 175.52 175.94 2cxs h GLU 434 N 0.35 0.25 -0.34 4.72 4.81 -1.25 -1.70 114.58 121.42 2cxs h GLU 434 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2cxs h GLU 434 Cb 1.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2cxs h GLU 434 CO 0.11 0.16 0.20 0.00 -0.73 0.00 0.00 179.01 178.76 2cxs h ALA 435 N 1.15 0.44 -0.88 2.92 0.00 -0.36 0.32 119.26 122.85 2cxs h ALA 435 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2cxs h ALA 435 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2cxs h ALA 435 CO -0.09 -0.05 0.57 -0.07 0.00 0.00 0.00 179.25 179.61 2cxs h LEU 436 N 0.44 1.02 0.24 0.00 3.38 -0.99 -0.74 115.31 118.66 2cxs h LEU 436 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2cxs h LEU 436 Cb 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2cxs h LEU 436 CO -0.02 0.75 -0.12 -0.03 0.09 0.00 0.00 178.44 179.11 2cxs h MET 437 N 1.20 -0.32 0.04 1.13 4.05 -1.05 -0.78 114.93 119.20 2cxs h MET 437 Ca 0.32 0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.61 2cxs h MET 437 Cb -0.12 0.07 0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2cxs h MET 437 CO -0.07 0.04 -0.61 -0.22 0.23 0.00 0.00 176.91 176.28 2cxs h LYS 438 N -0.76 0.34 0.00 0.39 3.64 -0.80 -1.46 116.57 117.93 2cxs h LYS 438 Ca -0.03 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2cxs h LYS 438 Cb 0.50 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2cxs h LYS 438 CO 0.06 1.12 0.00 0.41 -2.27 0.00 0.00 179.45 178.76 2cxs n GLY 439 N 1.25 0.45 3.06 5.01 0.00 -0.30 -4.68 105.19 109.98 2cxs n GLY 439 Ca -0.11 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 2cxs n GLY 439 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cxs s LYS 440 N 0.00 0.32 0.60 1.61 2.20 0.51 -4.92 119.74 120.06 2cxs s LYS 440 Ca 0.00 0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 56.18 2cxs s LYS 440 Cb 0.00 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 2cxs s LYS 440 CO 0.00 -0.46 1.12 -0.51 -0.36 0.00 0.00 175.35 175.13 2cxs s LEU 441 N 2.57 3.58 0.28 5.43 1.43 -1.26 -1.76 118.68 128.94 2cxs s LEU 441 Ca 0.06 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2cxs s LEU 441 Cb -0.14 -4.57 0.64 0.00 0.03 0.00 0.00 46.19 42.16 2cxs s LEU 441 CO -0.14 -1.40 1.66 -0.65 0.23 0.00 0.00 176.35 176.05 2cxs h PRO 442 N 0.65 0.24 -0.22 1.29 0.11 -1.95 -0.17 132.00 131.94 2cxs h PRO 442 Ca -0.48 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2cxs h PRO 442 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2cxs h PRO 442 CO 0.56 0.16 -0.19 0.93 -0.21 0.00 0.00 178.00 179.25 2cxs h GLU 443 N 0.25 0.38 -0.26 1.05 4.39 -1.99 0.10 114.58 118.50 2cxs h GLU 443 Ca 0.51 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 60.02 2cxs h GLU 443 Cb 0.99 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2cxs h GLU 443 CO -0.60 0.56 -0.13 0.93 -1.16 0.00 0.00 179.01 178.61 2cxs h GLU 444 N 0.35 0.55 -0.62 2.33 5.08 -1.51 -2.47 114.58 118.29 2cxs h GLU 444 Ca 0.06 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2cxs h GLU 444 Cb 0.53 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2cxs h GLU 444 CO 0.03 0.80 0.11 0.00 -1.00 0.00 0.00 179.01 178.96 2cxs h ALA 445 N 0.73 1.03 -0.39 3.43 0.00 -0.82 -2.64 119.26 120.60 2cxs h ALA 445 Ca 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2cxs h ALA 445 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2cxs h ALA 445 CO 0.04 0.63 0.22 -0.09 0.00 0.00 0.00 179.25 180.04 2cxs h ARG 446 N 0.95 0.43 -0.82 0.00 2.43 -0.76 -1.40 114.38 115.20 2cxs h ARG 446 Ca 0.19 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2cxs h ARG 446 Cb 0.39 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2cxs h ARG 446 CO 0.01 0.28 0.44 0.87 -1.51 0.00 0.00 179.97 180.06 2cxs h LYS 447 N 0.44 1.15 -0.50 0.20 1.57 -1.30 -0.61 116.57 117.52 2cxs h LYS 447 Ca 0.16 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2cxs h LYS 447 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2cxs h LYS 447 CO -0.09 0.85 0.10 0.93 -0.57 0.00 0.00 179.45 180.66 2cxs h GLU 448 N 1.15 0.82 -0.39 3.15 5.08 -1.10 -1.45 114.58 121.84 2cxs h GLU 448 Ca 0.29 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2cxs h GLU 448 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2cxs h GLU 448 CO -0.05 0.80 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.40 2cxs h LEU 449 N 0.70 0.88 -0.67 1.33 3.38 -0.96 -2.06 115.31 117.90 2cxs h LEU 449 Ca 0.15 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2cxs h LEU 449 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2cxs h LEU 449 CO 0.01 1.11 0.28 -0.61 0.09 0.00 0.00 178.44 179.32 2cxs h GLN 450 N 0.72 1.00 0.00 1.13 5.75 -1.01 -2.49 115.11 120.20 2cxs h GLN 450 Ca 0.08 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 2cxs h GLN 450 Cb 0.85 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2cxs h GLN 450 CO 0.07 0.82 -0.25 0.00 -2.65 0.00 0.00 178.83 176.82 2cxs h ALA 451 N 1.13 1.47 0.00 3.38 0.00 -1.12 -2.57 119.26 121.56 2cxs h ALA 451 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cxs h ALA 451 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2cxs h ALA 451 CO -0.02 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2cxs n ALA 452 N -2.44 1.98 -0.52 0.00 0.00 -0.79 -4.90 120.51 113.84 2cxs n ALA 452 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2cxs n ALA 452 Cb 0.31 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2cxs n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cxs n GLY 453 N 0.69 0.76 3.74 0.00 0.00 -0.97 -5.05 105.19 104.36 2cxs n GLY 453 Ca 0.04 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2cxs n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cxs s LYS 454 N -1.10 4.47 0.74 1.61 -0.14 -1.05 -5.02 119.74 119.26 2cxs s LYS 454 Ca 0.00 1.92 -0.14 0.00 -1.36 0.00 0.00 55.97 56.39 2cxs s LYS 454 Cb 0.00 -3.22 0.04 0.00 -1.68 0.00 0.00 37.83 32.97 2cxs s LYS 454 CO 0.00 -0.11 1.15 -1.54 -0.76 0.00 0.00 175.35 174.10 2cxs s SER 455 N 0.07 4.34 0.31 2.83 1.04 -1.26 -4.68 113.70 116.35 2cxs s SER 455 Ca 0.53 2.16 0.07 0.00 0.48 0.00 0.00 55.95 59.18 2cxs s SER 455 Cb -0.34 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 64.03 2cxs s SER 455 CO 0.38 -2.15 1.71 -0.65 0.98 0.00 0.00 173.24 173.51 2cxs h PRO 456 N -0.51 0.47 -0.22 4.02 0.11 -1.99 0.27 132.00 134.15 2cxs h PRO 456 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2cxs h PRO 456 Cb 1.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2cxs h PRO 456 CO 0.50 0.31 -0.19 1.49 -0.21 0.00 0.00 178.00 179.90 2cxs h GLU 457 N 0.49 0.52 -0.33 1.05 4.81 -2.00 -2.37 114.58 116.75 2cxs h GLU 457 Ca 0.61 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2cxs h GLU 457 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2cxs h GLU 457 CO -0.50 0.84 -0.29 -0.44 -0.73 0.00 0.00 179.01 177.89 2cxs h ASP 458 N 0.22 0.71 0.20 1.04 5.19 -1.70 -2.49 116.42 119.59 2cxs h ASP 458 Ca 0.04 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 2cxs h ASP 458 Cb 0.73 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2cxs h ASP 458 CO 0.05 0.96 -0.10 0.25 -3.12 0.00 0.00 179.24 177.28 2cxs h LEU 459 N 0.59 -0.23 -1.36 1.55 6.46 -0.53 -2.42 115.31 119.38 2cxs h LEU 459 Ca 0.07 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2cxs h LEU 459 Cb 0.79 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 2cxs h LEU 459 CO 0.07 0.03 0.44 -0.08 -0.62 0.00 0.00 178.44 178.27 2cxs h GLU 460 N -0.48 0.86 -0.31 1.25 4.57 -1.42 0.17 114.58 119.21 2cxs h GLU 460 Ca -0.03 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 2cxs h GLU 460 Cb 0.37 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2cxs h GLU 460 CO 0.04 0.57 -0.11 0.87 -1.18 0.00 0.00 179.01 179.20 2cxs h LYS 461 N 0.88 0.61 0.00 1.92 1.57 -1.43 -3.30 116.57 116.82 2cxs h LYS 461 Ca 0.25 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2cxs h LYS 461 Cb -0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2cxs h LYS 461 CO -0.06 0.82 -1.09 1.25 -0.57 0.00 0.00 179.45 179.81 2cxs h LEU 462 N 0.38 0.00 -0.66 2.94 5.85 -1.05 -3.42 115.31 119.35 2cxs h LEU 462 Ca 0.07 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2cxs h LEU 462 Cb 0.61 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2cxs h LEU 462 CO 0.04 0.81 -0.53 0.25 -0.34 0.00 0.00 178.44 178.67 2cxs h LEU 463 N 0.00 -1.85 -1.65 2.25 5.85 -0.76 -1.67 115.31 117.47 2cxs h LEU 463 Ca -0.09 0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2cxs h LEU 463 Cb 1.70 0.80 -0.02 0.00 0.37 0.00 0.00 40.66 43.51 2cxs h LEU 463 CO 0.09 -0.33 0.29 1.55 -0.34 0.00 0.00 178.44 179.71 2cxs h PRO 464 N -0.22 0.43 0.00 5.25 0.13 -1.80 -0.94 132.00 134.86 2cxs h PRO 464 Ca 0.14 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2cxs h PRO 464 Cb 0.53 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2cxs h PRO 464 CO -0.74 0.29 -0.09 0.45 -0.23 0.00 0.00 178.00 177.67 2cxs h HIS 465 N 0.44 0.00 -0.02 1.56 3.86 -1.59 -2.88 115.15 116.53 2cxs h HIS 465 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2cxs h HIS 465 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2cxs h HIS 465 CO -0.00 0.09 -0.17 1.63 0.86 0.00 0.00 177.93 180.34 2cxs n LYS 466 N -3.38 1.51 -2.93 2.45 4.76 -0.36 -4.92 118.16 115.29 2cxs n LYS 466 Ca -0.01 -1.07 -0.40 0.00 -2.87 0.00 0.00 58.31 53.95 2cxs n LYS 466 Cb 0.25 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.92 2cxs n LYS 466 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cxs s VAL 467 N -2.23 4.65 -0.23 -0.18 1.01 -1.09 -4.87 120.40 117.46 2cxs s VAL 467 Ca 0.28 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 2cxs s VAL 467 Cb 0.20 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2cxs s VAL 467 CO 0.43 0.37 -0.07 -0.36 0.00 0.00 0.00 175.10 175.46 2cxs s PHE 468 N -0.13 3.01 0.28 5.22 0.40 -0.72 -4.95 117.98 121.10 2cxs s PHE 468 Ca 0.40 -1.43 0.22 0.00 -0.60 0.00 0.00 56.93 55.53 2cxs s PHE 468 Cb -0.21 -2.05 1.03 0.00 0.51 0.00 0.00 43.02 42.30 2cxs s PHE 468 CO 0.25 -0.70 1.90 0.93 0.70 0.00 0.00 175.22 178.30 2cxs h GLU 469 N 8.03 0.00 0.00 0.44 5.08 -1.81 0.14 114.58 126.46 2cxs h GLU 469 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2cxs h GLU 469 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2cxs h GLU 469 CO 0.59 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 179.25 2cxs n GLY 470 N -0.24 0.83 2.43 -3.84 0.00 -1.26 -4.75 105.19 98.36 2cxs n GLY 470 Ca -0.01 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2cxs n GLY 470 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cxs n ASN 471 N -2.50 -5.86 -4.54 1.61 5.15 -0.55 -4.92 115.26 103.66 2cxs n ASN 471 Ca 0.00 0.05 -0.40 0.00 -0.60 0.00 0.00 54.58 53.63 2cxs n ASN 471 Cb 0.00 -4.91 -0.10 0.00 -0.53 0.00 0.00 39.78 34.23 2cxs n ASN 471 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2cxs s ARG 472 N -4.88 3.57 0.33 1.20 0.52 -0.34 -4.95 118.95 114.40 2cxs s ARG 472 Ca 0.00 -0.58 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 2cxs s ARG 472 Cb 0.00 -3.79 -0.10 0.00 0.52 0.00 0.00 34.95 31.58 2cxs s ARG 472 CO 0.00 -0.41 0.95 -1.25 0.02 0.00 0.00 175.30 174.60 2cxs s PRO 473 N 1.75 4.55 0.04 3.54 0.04 -1.26 -3.68 135.00 139.98 2cxs s PRO 473 Ca 0.07 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 2cxs s PRO 473 Cb -0.17 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2cxs s PRO 473 CO 0.11 0.25 -0.02 0.95 0.04 0.00 0.00 177.00 178.32 2cxs s THR 474 N -1.66 0.19 -0.06 1.26 -4.23 -0.87 -3.45 115.64 106.82 2cxs s THR 474 Ca 0.51 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2cxs s THR 474 Cb -0.18 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 2cxs s THR 474 CO 0.23 -0.86 0.06 0.20 -0.54 0.00 0.00 174.62 173.71 2cxs s ASN 475 N -2.54 5.66 -0.20 3.99 0.02 -0.12 -4.00 114.94 117.75 2cxs s ASN 475 Ca 0.01 0.22 -0.01 0.00 -1.02 0.00 0.00 52.86 52.06 2cxs s ASN 475 Cb 0.03 -1.67 0.00 0.00 0.02 0.00 0.00 41.25 39.64 2cxs s ASN 475 CO -0.08 0.34 -0.12 -0.44 0.02 0.00 0.00 177.10 176.83 2cxs s SER 476 N -1.24 3.73 -0.29 -1.22 0.01 -0.49 -0.69 113.70 113.51 2cxs s SER 476 Ca 0.17 -0.51 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 2cxs s SER 476 Cb -0.12 -1.61 0.05 0.00 0.21 0.00 0.00 66.02 64.55 2cxs s SER 476 CO 0.07 -0.00 -0.02 -0.63 0.41 0.00 0.00 173.24 173.07 2cxs s ILE 477 N 1.33 2.85 -0.06 1.44 1.01 0.92 -0.69 121.20 128.00 2cxs s ILE 477 Ca 0.04 -1.41 0.06 0.00 0.00 0.00 0.00 60.65 59.34 2cxs s ILE 477 Cb -0.14 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 2cxs s ILE 477 CO -0.07 -0.08 -0.23 -0.69 0.00 0.00 0.00 174.94 173.86 2cxs s VAL 478 N 1.23 1.94 0.06 2.92 1.01 -0.33 -1.81 120.40 125.42 2cxs s VAL 478 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2cxs s VAL 478 Cb -0.20 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2cxs s VAL 478 CO -0.02 0.54 -0.07 0.72 0.00 0.00 0.00 175.10 176.28 2cxs s PHE 479 N -0.08 0.68 0.17 5.22 -0.12 -0.85 0.24 117.98 123.24 2cxs s PHE 479 Ca -0.05 -0.68 -0.15 0.00 -0.05 0.00 0.00 56.93 56.00 2cxs s PHE 479 Cb -0.14 -0.41 0.13 0.00 -0.63 0.00 0.00 43.02 41.97 2cxs s PHE 479 CO 0.04 -0.14 1.68 1.15 -0.05 0.00 0.00 175.22 177.90 2cxs h THR 480 N 3.93 0.64 -1.87 -4.49 2.02 -1.63 0.15 112.91 111.67 2cxs h THR 480 Ca -0.35 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2cxs h THR 480 Cb 1.19 0.56 -0.20 0.00 -1.74 0.00 0.00 68.15 67.95 2cxs h THR 480 CO 0.50 0.01 0.31 -0.75 0.37 0.00 0.00 175.52 175.97 2cxs s LYS 481 N -6.19 0.91 -1.25 6.66 2.20 -1.26 -1.03 119.74 119.78 2cxs s LYS 481 Ca -0.14 0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.54 2cxs s LYS 481 Cb 0.15 0.43 0.14 0.00 -1.51 0.00 0.00 37.83 37.04 2cxs s LYS 481 CO 0.71 -0.28 1.58 -0.11 -0.36 0.00 0.00 175.35 176.89 2cxs n LEU 482 N 0.83 5.35 -4.94 5.43 7.94 -1.26 -4.73 117.00 125.61 2cxs n LEU 482 Ca -0.16 -4.33 -0.24 0.00 -1.11 0.00 0.00 56.01 50.17 2cxs n LEU 482 Cb 0.57 -1.64 0.04 0.00 0.53 0.00 0.00 43.42 42.93 2cxs n LEU 482 CO 0.21 0.66 0.48 0.42 -1.11 0.00 0.00 177.39 178.05 2cxs s THR 483 N 2.17 2.98 0.23 1.96 -4.23 -1.26 -4.88 115.64 112.62 2cxs s THR 483 Ca 0.46 -0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2cxs s THR 483 Cb 0.01 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.86 2cxs s THR 483 CO 0.02 -0.17 1.73 -0.65 -0.54 0.00 0.00 174.62 175.01 2cxs h PRO 484 N -0.17 0.41 0.01 3.99 0.11 -1.92 -0.72 132.00 133.71 2cxs h PRO 484 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cxs h PRO 484 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2cxs h PRO 484 CO 0.58 0.27 -0.01 0.35 -0.21 0.00 0.00 178.00 178.98 2cxs h PHE 485 N 0.42 -0.01 -0.54 0.65 3.57 -1.87 -1.37 116.94 117.78 2cxs h PHE 485 Ca 0.39 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.78 2cxs h PHE 485 Cb 0.56 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2cxs h PHE 485 CO -0.18 0.03 -0.06 0.82 -2.23 0.00 0.00 178.31 176.69 2cxs h ILE 486 N -0.05 1.26 -0.65 1.41 1.08 -1.79 -1.70 117.51 117.07 2cxs h ILE 486 Ca -0.00 -1.18 0.02 0.00 -0.39 0.00 0.00 64.86 63.30 2cxs h ILE 486 Cb 0.05 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 2cxs h ILE 486 CO 0.00 0.42 0.42 0.25 -0.69 0.00 0.00 178.15 178.55 2cxs h LEU 487 N 0.88 0.71 -0.69 1.44 5.85 -1.01 -0.64 115.31 121.84 2cxs h LEU 487 Ca 0.15 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2cxs h LEU 487 Cb 0.60 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2cxs h LEU 487 CO 0.04 0.50 0.44 1.23 -0.34 0.00 0.00 178.44 180.31 2cxs h GLY 488 N 0.84 0.99 1.01 3.75 0.00 -0.83 -0.83 103.07 108.00 2cxs h GLY 488 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2cxs h GLY 488 CO -0.08 0.30 0.33 0.00 0.00 0.00 0.00 176.54 177.10 2cxs h ALA 489 N 1.28 0.87 -0.40 3.60 0.00 -0.88 -1.91 119.26 121.82 2cxs h ALA 489 Ca 0.27 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2cxs h ALA 489 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2cxs h ALA 489 CO -0.09 0.43 0.04 -0.07 0.00 0.00 0.00 179.25 179.55 2cxs h LEU 490 N 0.94 0.65 -0.31 0.00 3.38 -0.62 -0.80 115.31 118.56 2cxs h LEU 490 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2cxs h LEU 490 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2cxs h LEU 490 CO -0.03 0.77 0.13 0.40 0.09 0.00 0.00 178.44 179.80 2cxs h ILE 491 N 0.51 1.17 -0.59 1.22 2.04 -1.10 -2.68 117.51 118.10 2cxs h ILE 491 Ca 0.12 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2cxs h ILE 491 Cb 0.41 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2cxs h ILE 491 CO 0.01 0.18 0.31 0.00 0.00 0.00 0.00 178.15 178.65 2cxs h ALA 492 N 0.98 1.44 -0.46 1.87 0.00 -1.26 -0.90 119.26 120.92 2cxs h ALA 492 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2cxs h ALA 492 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2cxs h ALA 492 CO -0.01 0.46 0.27 1.98 0.00 0.00 0.00 179.25 181.94 2cxs h MET 493 N 0.82 0.52 -0.14 0.00 1.85 -0.85 -1.10 114.93 116.03 2cxs h MET 493 Ca 0.21 -0.03 -0.15 0.00 -0.61 0.00 0.00 59.70 59.11 2cxs h MET 493 Cb 0.04 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 2cxs h MET 493 CO -0.03 0.35 -0.55 1.88 -0.40 0.00 0.00 176.91 178.15 2cxs h TYR 494 N 0.54 0.54 -0.52 1.39 -1.99 -1.12 -1.35 116.97 114.45 2cxs h TYR 494 Ca 0.18 -0.19 0.07 0.00 2.00 0.00 0.00 58.73 60.80 2cxs h TYR 494 Cb 0.02 -0.10 -0.06 0.00 2.00 0.00 0.00 36.73 38.59 2cxs h TYR 494 CO -0.07 0.89 0.18 0.93 -0.00 0.00 0.00 178.16 180.09 2cxs h GLU 495 N 0.33 0.35 -0.02 4.88 5.08 -0.71 -1.24 114.58 123.25 2cxs h GLU 495 Ca 0.00 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2cxs h GLU 495 Cb 1.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2cxs h GLU 495 CO 0.10 0.23 -0.72 0.45 -1.00 0.00 0.00 179.01 178.07 2cxs h HIS 496 N 0.36 0.16 -0.20 4.33 3.86 -1.04 -1.23 115.15 121.38 2cxs h HIS 496 Ca 0.25 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 2cxs h HIS 496 Cb 0.29 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 2cxs h HIS 496 CO -0.17 0.79 -0.08 -0.22 0.86 0.00 0.00 177.93 179.12 2cxs h LYS 497 N 0.08 -0.04 -0.64 2.45 3.64 -0.91 -0.36 116.57 120.79 2cxs h LYS 497 Ca -0.02 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2cxs h LYS 497 Cb 1.27 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2cxs h LYS 497 CO 0.10 -0.03 0.42 0.82 -2.27 0.00 0.00 179.45 178.50 2cxs h ILE 498 N -0.04 1.16 -0.17 2.00 2.04 -0.95 -1.45 117.51 120.09 2cxs h ILE 498 Ca 0.11 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2cxs h ILE 498 Cb 0.20 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2cxs h ILE 498 CO -0.23 0.16 0.01 0.15 0.00 0.00 0.00 178.15 178.23 2cxs h PHE 499 N 0.86 0.00 -0.53 1.37 3.57 -0.92 -1.75 116.94 119.54 2cxs h PHE 499 Ca 0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2cxs h PHE 499 Cb -0.10 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2cxs h PHE 499 CO -0.03 -0.02 0.31 0.28 -2.23 0.00 0.00 178.31 176.62 2cxs h VAL 500 N 0.06 1.17 -0.64 1.41 2.07 -0.59 -1.52 116.25 118.21 2cxs h VAL 500 Ca 0.08 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2cxs h VAL 500 Cb 0.09 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2cxs h VAL 500 CO -0.13 0.17 0.41 1.56 0.02 0.00 0.00 177.57 179.60 2cxs h GLN 501 N 0.71 0.86 -0.75 1.57 4.20 -1.12 -1.70 115.11 118.88 2cxs h GLN 501 Ca 0.19 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2cxs h GLN 501 Cb 0.01 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 2cxs h GLN 501 CO -0.03 0.59 0.48 0.78 -0.67 0.00 0.00 178.83 179.97 2cxs h GLY 502 N 0.87 1.09 0.99 3.46 0.00 -0.89 -1.12 103.07 107.47 2cxs h GLY 502 Ca 0.23 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2cxs h GLY 502 CO -0.05 0.31 0.11 -2.22 0.00 0.00 0.00 176.54 174.70 2cxs h ILE 503 N 0.93 1.25 -0.32 2.60 1.08 -0.95 -1.40 117.51 120.69 2cxs h ILE 503 Ca 0.30 -0.90 -0.07 0.00 -0.39 0.00 0.00 64.86 63.80 2cxs h ILE 503 Cb 0.01 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2cxs h ILE 503 CO -0.11 0.33 -0.11 0.24 -0.69 0.00 0.00 178.15 177.81 2cxs h MET 504 N 0.76 0.55 -0.00 2.37 2.86 -0.93 -1.75 114.93 118.79 2cxs h MET 504 Ca 0.17 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2cxs h MET 504 Cb 0.36 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2cxs h MET 504 CO 0.01 0.65 -0.04 0.91 1.06 0.00 0.00 176.91 179.50 2cxs n TRP 505 N -4.20 0.00 -2.17 -0.22 8.01 -0.46 -4.40 117.44 114.00 2cxs n TRP 505 Ca 0.01 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.05 2cxs n TRP 505 Cb 0.32 -0.40 -0.01 0.00 -2.01 0.00 0.00 31.31 29.21 2cxs n TRP 505 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2cxs n ASP 506 N -1.40 -4.50 -4.88 -0.99 2.03 -0.61 -4.72 116.55 101.48 2cxs n ASP 506 Ca 0.10 0.04 -0.21 0.00 0.52 0.00 0.00 54.79 55.24 2cxs n ASP 506 Cb 0.30 -3.61 -0.03 0.00 -0.72 0.00 0.00 41.12 37.07 2cxs n ASP 506 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2cxs s ILE 507 N -2.71 2.78 -0.47 5.18 -4.36 -0.70 -0.67 121.20 120.25 2cxs s ILE 507 Ca 0.00 -1.34 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 2cxs s ILE 507 Cb 0.00 -3.02 0.04 0.00 1.25 0.00 0.00 42.46 40.73 2cxs s ILE 507 CO 0.00 -0.02 0.57 0.21 0.24 0.00 0.00 174.94 175.93 2cxs s ASN 508 N -4.12 6.23 0.00 4.36 3.84 -1.26 -4.53 114.94 119.46 2cxs s ASN 508 Ca 0.47 -0.78 0.19 0.00 0.21 0.00 0.00 52.86 52.96 2cxs s ASN 508 Cb -0.04 -2.27 1.00 0.00 -0.55 0.00 0.00 41.25 39.39 2cxs s ASN 508 CO 0.28 -0.78 1.60 -1.20 -2.79 0.00 0.00 177.10 174.21 2cxs n SER 509 N 5.99 0.00 -0.08 -4.21 7.64 -1.26 -3.98 113.62 117.72 2cxs n SER 509 Ca -0.06 -0.05 0.01 0.00 1.01 0.00 0.00 58.87 59.78 2cxs n SER 509 Cb 0.46 -0.26 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 2cxs n SER 509 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2cxs n PHE 510 N -1.26 0.00 -3.40 1.43 3.01 -1.26 -4.33 117.46 111.65 2cxs n PHE 510 Ca 0.10 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.33 2cxs n PHE 510 Cb 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.66 2cxs n PHE 510 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2cxs s ASP 511 N -0.26 4.85 -0.46 4.37 3.84 -1.26 -4.97 116.67 122.78 2cxs s ASP 511 Ca 0.02 -1.07 0.06 0.00 -0.00 0.00 0.00 52.55 51.56 2cxs s ASP 511 Cb 0.02 0.49 0.31 0.00 -1.38 0.00 0.00 42.92 42.35 2cxs s ASP 511 CO 0.03 -1.32 1.09 0.00 -0.00 0.00 0.00 175.17 174.97 2cxs n GLN 512 N -2.10 0.98 0.29 2.11 0.00 -1.26 -4.78 117.38 112.62 2cxs n GLN 512 Ca 0.09 -1.89 0.18 0.00 0.00 0.00 0.00 57.00 55.37 2cxs n GLN 512 Cb 0.63 -1.08 0.79 0.00 0.00 0.00 0.00 30.24 30.57 2cxs n GLN 512 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 2cxs h TRP 513 N 3.13 0.00 0.00 2.61 4.06 -1.98 -3.21 115.95 120.56 2cxs h TRP 513 Ca -0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.84 2cxs h TRP 513 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2cxs h TRP 513 CO 0.28 0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.60 2cxs n GLY 514 N -0.26 -0.64 0.00 1.49 0.00 -1.26 -2.33 105.19 102.20 2cxs n GLY 514 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2cxs n GLY 514 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2cxs n VAL 515 N -1.09 0.00 -0.03 1.61 0.24 -1.21 -4.62 118.33 113.23 2cxs n VAL 515 Ca 0.12 -0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.30 2cxs n VAL 515 Cb 0.08 0.86 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 2cxs n VAL 515 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2cxs h GLU 516 N 0.00 0.20 -0.70 7.34 4.81 -1.71 -3.21 114.58 121.31 2cxs h GLU 516 Ca 0.00 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2cxs h GLU 516 Cb 0.50 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2cxs h GLU 516 CO 0.00 0.43 0.45 1.25 -0.73 0.00 0.00 179.01 180.41 2cxs h LEU 517 N -0.05 0.77 -0.98 1.64 5.85 -1.82 -1.78 115.31 118.94 2cxs h LEU 517 Ca 0.03 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2cxs h LEU 517 Cb 0.33 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2cxs h LEU 517 CO 0.00 0.55 0.56 1.23 -0.34 0.00 0.00 178.44 180.44 2cxs h GLY 518 N 0.91 1.35 0.95 3.75 0.00 -1.87 -1.23 103.07 106.92 2cxs h GLY 518 Ca 0.27 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2cxs h GLY 518 CO -0.08 0.54 0.15 0.50 0.00 0.00 0.00 176.54 177.65 2cxs h LYS 519 N 1.28 0.64 -0.25 4.80 1.57 -1.38 -2.03 116.57 121.20 2cxs h LYS 519 Ca 0.33 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2cxs h LYS 519 Cb -0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2cxs h LYS 519 CO -0.06 0.62 0.12 1.96 -0.57 0.00 0.00 179.45 181.51 2cxs h GLN 520 N 0.54 0.36 -0.03 3.15 4.20 -0.98 -2.57 115.11 119.79 2cxs h GLN 520 Ca 0.14 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2cxs h GLN 520 Cb 0.23 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2cxs h GLN 520 CO -0.01 0.36 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.01 2cxs h LEU 521 N 0.27 0.06 -0.54 1.46 3.38 -1.21 -2.91 115.31 115.82 2cxs h LEU 521 Ca 0.08 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2cxs h LEU 521 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2cxs h LEU 521 CO -0.01 0.48 -0.21 0.00 0.09 0.00 0.00 178.44 178.79 2cxs h ALA 522 N 1.52 0.74 -0.41 1.53 0.00 -1.22 -2.39 119.26 119.03 2cxs h ALA 522 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2cxs h ALA 522 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2cxs h ALA 522 CO 0.06 0.67 0.26 0.87 0.00 0.00 0.00 179.25 181.10 2cxs h LYS 523 N 0.83 0.55 -0.15 0.00 1.79 -1.27 -1.40 116.57 116.91 2cxs h LYS 523 Ca 0.11 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.36 2cxs h LYS 523 Cb 0.77 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2cxs h LYS 523 CO 0.06 0.38 -0.66 0.87 -1.08 0.00 0.00 179.45 179.02 2cxs h LYS 524 N 0.56 0.59 0.04 3.15 1.57 -1.33 -3.31 116.57 117.84 2cxs h LYS 524 Ca 0.15 -0.43 -0.22 0.00 -1.87 0.00 0.00 60.65 58.28 2cxs h LYS 524 Cb -0.04 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2cxs h LYS 524 CO -0.03 1.05 -1.01 0.82 -0.57 0.00 0.00 179.45 179.71 2cxs h ILE 525 N 0.42 1.54 -0.74 1.86 2.04 -0.92 -3.39 117.51 118.32 2cxs h ILE 525 Ca -0.02 -2.89 0.07 0.00 1.00 0.00 0.00 64.86 63.02 2cxs h ILE 525 Cb 1.24 2.67 -0.10 0.00 -0.74 0.00 0.00 36.82 39.90 2cxs h ILE 525 CO 0.13 0.84 -0.53 -0.33 0.00 0.00 0.00 178.15 178.26 2cxs h GLU 526 N 0.08 -0.12 0.00 2.37 5.08 -1.36 -0.90 114.58 119.74 2cxs h GLU 526 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2cxs h GLU 526 Cb 1.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2cxs h GLU 526 CO 0.15 -0.08 0.00 -1.00 -1.00 0.00 0.00 179.01 177.09 2cxs h PRO 527 N -0.12 0.00 0.00 2.33 0.13 -1.78 -2.88 132.00 129.68 2cxs h PRO 527 Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2cxs h PRO 527 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2cxs h PRO 527 CO -0.76 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 177.86 2cxs h GLU 528 N 0.00 0.00 0.00 0.86 5.08 -1.35 -2.84 114.58 116.33 2cxs h GLU 528 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cxs h GLU 528 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2cxs h GLU 528 CO 0.00 0.08 0.00 -0.07 -1.00 0.00 0.00 179.01 178.02 2cxs h LEU 529 N 0.00 0.00 -9.74 1.33 3.38 -1.34 -3.45 115.31 105.49 2cxs h LEU 529 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2cxs h LEU 529 Cb 0.67 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.45 2cxs h LEU 529 CO 0.01 0.00 0.61 -1.61 0.09 0.00 0.00 178.44 177.54 2cxs s GLU 530 N -3.40 4.44 0.02 1.13 2.02 -1.07 -4.89 118.70 116.95 2cxs s GLU 530 Ca 0.05 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.05 2cxs s GLU 530 Cb 0.08 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2cxs s GLU 530 CO 0.58 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.13 2cxs n GLY 531 N 1.83 -2.47 0.00 -1.39 0.00 -1.26 -4.69 105.19 97.22 2cxs n GLY 531 Ca 0.03 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.57 2cxs n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cxs n SER 532 N -0.87 0.79 -4.77 1.61 3.41 -1.26 -4.99 113.62 107.54 2cxs n SER 532 Ca 0.00 -0.70 -0.39 0.00 -0.26 0.00 0.00 58.87 57.52 2cxs n SER 532 Cb 0.00 0.96 -0.01 0.00 -0.26 0.00 0.00 64.21 64.90 2cxs n SER 532 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cxs s SER 533 N -3.25 6.31 0.40 4.04 1.04 -1.26 -4.98 113.70 116.00 2cxs s SER 533 Ca 0.06 2.55 -0.25 0.00 0.48 0.00 0.00 55.95 58.79 2cxs s SER 533 Cb 0.16 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.57 2cxs s SER 533 CO 0.84 -0.84 1.18 0.00 0.98 0.00 0.00 173.24 175.40 2cxs s ALA 534 N -1.32 3.15 -0.20 5.32 0.00 -1.26 -5.03 121.76 122.42 2cxs s ALA 534 Ca 0.58 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 2cxs s ALA 534 Cb -0.35 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2cxs s ALA 534 CO 0.45 -0.56 0.08 0.08 0.00 0.00 0.00 175.76 175.81 2cxs s VAL 535 N -1.41 4.84 0.00 0.00 1.01 -1.26 -4.96 120.40 118.62 2cxs s VAL 535 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2cxs s VAL 535 Cb -0.31 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2cxs s VAL 535 CO 0.39 0.42 0.76 0.35 0.00 0.00 0.00 175.10 177.02 2cxs n THR 536 N 3.85 0.57 1.13 3.92 -2.24 -1.26 -4.70 114.28 115.55 2cxs n THR 536 Ca -0.16 -0.69 0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2cxs n THR 536 Cb 0.52 0.77 0.65 0.00 -2.10 0.00 0.00 70.33 70.17 2cxs n THR 536 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2cxs n SER 537 N -0.29 0.00 -2.63 3.42 3.41 -1.26 -4.86 113.62 111.42 2cxs n SER 537 Ca 0.00 0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 2cxs n SER 537 Cb 0.22 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 2cxs n SER 537 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2cxs n HIS 538 N -1.40 -0.03 -0.75 7.33 8.25 -1.26 -5.11 115.22 122.25 2cxs n HIS 538 Ca 0.10 -0.57 -0.31 0.00 -0.26 0.00 0.00 57.72 56.67 2cxs n HIS 538 Cb 0.28 -0.08 0.16 0.00 1.12 0.00 0.00 29.99 31.47 2cxs n HIS 538 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2cxs s ASP 539 N -1.67 3.06 0.54 0.41 1.47 -1.26 -4.74 116.67 114.47 2cxs s ASP 539 Ca 0.01 2.15 0.27 0.00 1.18 0.00 0.00 52.55 56.16 2cxs s ASP 539 Cb -0.00 -2.56 1.52 0.00 -0.34 0.00 0.00 42.92 41.54 2cxs s ASP 539 CO 0.01 -3.01 2.12 0.77 0.68 0.00 0.00 175.17 175.74 2cxs h SER 540 N -1.81 0.00 0.25 2.11 4.64 -1.98 -1.16 113.55 115.60 2cxs h SER 540 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2cxs h SER 540 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2cxs h SER 540 CO 0.43 0.09 -0.12 -1.28 -0.87 0.00 0.00 176.83 175.08 2cxs h SER 541 N 0.00 -0.28 -0.58 4.97 0.87 -1.98 0.21 113.55 116.76 2cxs h SER 541 Ca -0.00 -0.25 0.07 0.00 -1.23 0.00 0.00 61.79 60.39 2cxs h SER 541 Cb 0.23 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 2cxs h SER 541 CO 0.01 0.17 0.25 0.74 -0.53 0.00 0.00 176.83 177.47 2cxs h THR 542 N -0.82 0.86 -0.46 2.23 2.02 -1.88 0.12 112.91 114.97 2cxs h THR 542 Ca -0.03 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.03 2cxs h THR 542 Cb 0.51 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2cxs h THR 542 CO 0.06 0.09 0.22 0.78 0.37 0.00 0.00 175.52 177.04 2cxs h ASN 543 N 0.47 0.32 -0.39 4.18 2.35 -1.26 -1.72 115.58 119.53 2cxs h ASN 543 Ca 0.28 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 2cxs h ASN 543 Cb 0.27 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2cxs h ASN 543 CO -0.24 0.22 -0.17 1.23 -1.65 0.00 0.00 177.43 176.82 2cxs h GLY 544 N 0.45 0.94 1.10 2.83 0.00 -0.07 -0.75 103.07 107.56 2cxs h GLY 544 Ca 0.20 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 2cxs h GLY 544 CO -0.15 0.71 -0.11 1.41 0.00 0.00 0.00 176.54 178.40 2cxs h LEU 545 N 0.77 1.05 -0.69 3.11 3.38 -0.69 -1.44 115.31 120.80 2cxs h LEU 545 Ca 0.11 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2cxs h LEU 545 Cb 0.70 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2cxs h LEU 545 CO 0.05 1.15 0.26 0.40 0.09 0.00 0.00 178.44 180.40 2cxs h ILE 546 N 0.92 1.25 -0.75 1.22 2.04 -1.09 -1.34 117.51 119.75 2cxs h ILE 546 Ca 0.14 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.22 2cxs h ILE 546 Cb 0.68 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2cxs h ILE 546 CO 0.05 0.31 0.50 0.28 0.00 0.00 0.00 178.15 179.29 2cxs h SER 547 N 0.99 0.87 -0.40 1.72 0.02 -0.92 -1.45 113.55 114.38 2cxs h SER 547 Ca 0.23 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2cxs h SER 547 Cb 0.23 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2cxs h SER 547 CO -0.02 0.63 0.24 0.15 -1.14 0.00 0.00 176.83 176.69 2cxs h PHE 548 N 1.02 0.53 -0.35 3.45 3.57 -0.99 -0.68 116.94 123.49 2cxs h PHE 548 Ca 0.28 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.81 2cxs h PHE 548 Cb -0.11 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 2cxs h PHE 548 CO -0.02 0.39 0.13 0.82 -2.23 0.00 0.00 178.31 177.39 2cxs h ILE 549 N 0.52 0.91 -0.37 1.41 2.04 -0.89 -0.48 117.51 120.65 2cxs h ILE 549 Ca 0.14 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 2cxs h ILE 549 Cb 0.01 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2cxs h ILE 549 CO -0.03 0.05 -0.14 0.11 0.00 0.00 0.00 178.15 178.14 2cxs h LYS 550 N 0.28 0.67 -0.01 2.37 1.57 -1.05 -2.06 116.57 118.34 2cxs h LYS 550 Ca 0.16 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 2cxs h LYS 550 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2cxs h LYS 550 CO -0.16 0.78 -0.65 0.37 -0.57 0.00 0.00 179.45 179.23 2cxs h GLN 551 N 0.61 0.02 0.00 3.15 -0.00 -0.79 -3.34 115.11 114.76 2cxs h GLN 551 Ca 0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2cxs h GLN 551 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.07 2cxs h GLN 551 CO 0.04 0.67 -1.19 1.04 0.00 0.00 0.00 178.83 179.39 2cxs n GLN 552 N -3.77 0.13 0.09 1.69 1.13 -0.22 -4.53 117.38 111.91 2cxs n GLN 552 Ca -0.01 -0.04 0.12 0.00 -1.94 0.00 0.00 57.00 55.13 2cxs n GLN 552 Cb 0.64 -1.51 0.45 0.00 0.11 0.00 0.00 30.24 29.94 2cxs n GLN 552 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2cxs n ARG 553 N -1.65 0.18 0.00 -1.09 1.85 -0.79 -3.07 116.66 112.08 2cxs n ARG 553 Ca 0.02 0.28 0.10 0.00 -1.00 0.00 0.00 57.85 57.25 2cxs n ARG 553 Cb 0.38 -1.77 -0.04 0.00 -1.05 0.00 0.00 32.46 29.99 2cxs n ARG 553 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2cxs n ASP 554 N -2.09 1.59 -4.73 2.89 8.00 -1.26 -4.98 116.55 115.96 2cxs n ASP 554 Ca 0.04 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.83 2cxs n ASP 554 Cb 0.31 0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 42.02 2cxs n ASP 554 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2cxs s THR 555 N -2.42 2.81 -0.21 -3.53 2.01 -1.18 -4.99 115.64 108.13 2cxs s THR 555 Ca 0.14 0.64 -0.24 0.00 0.31 0.00 0.00 61.69 62.54 2cxs s THR 555 Cb 0.16 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2cxs s THR 555 CO 0.59 0.08 0.78 -0.54 -0.69 0.00 0.00 174.62 174.84 2cxs s LYS 556 N 0.27 4.21 0.00 4.92 1.02 -1.26 -5.14 119.74 123.77 2cxs s LYS 556 Ca 0.63 0.87 0.00 0.00 0.02 0.00 0.00 55.97 57.48 2cxs s LYS 556 Cb -0.41 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 2cxs s LYS 556 CO 0.38 -0.40 0.14 1.28 -0.92 0.00 0.00 175.35 175.83