#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxc h ASP 5 N 0.00 0.00 -4.45 -3.46 3.32 -1.55 -3.46 116.42 106.82 1rxc h ASP 5 Ca 0.00 -0.15 -0.43 0.00 0.02 0.00 0.00 57.03 56.48 1rxc h ASP 5 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 1rxc h ASP 5 CO 0.00 0.07 -0.78 0.68 -1.72 0.00 0.00 179.24 177.49 1rxc s VAL 6 N -3.19 1.17 0.20 -1.35 -7.23 -1.21 -5.05 120.40 103.74 1rxc s VAL 6 Ca 0.06 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 1rxc s VAL 6 Cb 0.12 -1.12 -0.10 0.00 0.56 0.00 0.00 36.38 35.84 1rxc s VAL 6 CO 0.71 -0.21 1.46 0.15 -0.31 0.00 0.00 175.10 176.91 1rxc h PHE 7 N 4.27 0.25 0.00 2.82 3.04 -1.94 -3.33 116.94 122.05 1rxc h PHE 7 Ca -0.41 -0.12 -0.37 0.00 3.98 0.00 0.00 57.97 61.04 1rxc h PHE 7 Cb 1.19 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 39.60 1rxc h PHE 7 CO 0.63 0.87 -2.38 0.72 -2.02 0.00 0.00 178.31 176.13 1rxc n HIS 8 N -3.73 0.00 0.24 0.41 8.25 -1.26 -4.64 115.22 114.48 1rxc n HIS 8 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1rxc n HIS 8 Cb 0.73 -0.92 0.17 0.00 1.12 0.00 0.00 29.99 31.08 1rxc n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxc h LEU 9 N -0.16 0.00 -1.33 2.41 3.38 -1.93 -3.44 115.31 114.24 1rxc h LEU 9 Ca -0.56 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.18 1rxc h LEU 9 Cb 1.79 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.63 1rxc h LEU 9 CO -0.14 0.00 -0.46 0.61 0.09 0.00 0.00 178.44 178.55 1rxc n GLY 10 N 1.12 -0.03 3.24 0.83 0.00 -1.25 -4.64 105.19 104.47 1rxc n GLY 10 Ca 0.04 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1rxc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 11 N -4.86 2.34 0.17 0.99 1.43 -1.26 -4.84 118.68 112.65 1rxc s LEU 11 Ca 0.19 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1rxc s LEU 11 Cb -0.08 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1rxc s LEU 11 CO 0.46 -0.06 -0.04 0.42 0.23 0.00 0.00 176.35 177.36 1rxc s THR 12 N -1.62 3.49 0.37 5.49 -4.23 -1.26 -1.23 115.64 116.65 1rxc s THR 12 Ca 0.06 -1.50 0.17 0.00 -1.18 0.00 0.00 61.69 59.23 1rxc s THR 12 Cb -0.08 -2.74 0.37 0.00 1.34 0.00 0.00 72.50 71.39 1rxc s THR 12 CO 0.04 -0.09 1.71 0.11 -0.54 0.00 0.00 174.62 175.84 1rxc h LYS 13 N 2.85 0.37 -0.57 3.99 1.57 -1.96 -1.93 116.57 120.88 1rxc h LYS 13 Ca -0.47 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 1rxc h LYS 13 Cb 1.20 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1rxc h LYS 13 CO 0.56 0.24 -0.00 -0.97 -0.57 0.00 0.00 179.45 178.71 1rxc h ASN 14 N 0.38 0.96 -1.01 0.86 -0.73 -1.95 -1.93 115.58 112.15 1rxc h ASN 14 Ca 0.68 -0.26 0.25 0.00 1.87 0.00 0.00 56.30 58.84 1rxc h ASN 14 Cb 1.64 -0.26 -0.09 0.00 0.27 0.00 0.00 38.32 39.88 1rxc h ASN 14 CO -0.45 1.02 0.65 0.44 -0.37 0.00 0.00 177.43 178.71 1rxc h ASP 15 N 0.90 0.50 0.39 1.15 3.32 -1.76 -1.93 116.42 119.00 1rxc h ASP 15 Ca 0.16 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 1rxc h ASP 15 Cb 0.53 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1rxc h ASP 15 CO 0.03 0.12 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.07 1rxc h LEU 16 N 0.46 0.17 -1.04 1.55 4.07 -1.39 -3.48 115.31 115.64 1rxc h LEU 16 Ca 0.58 -0.08 -0.35 0.00 0.08 0.00 0.00 57.88 58.10 1rxc h LEU 16 Cb 1.36 -0.05 0.13 0.00 1.08 0.00 0.00 40.66 43.19 1rxc h LEU 16 CO -0.30 0.66 -0.64 0.00 -1.08 0.00 0.00 178.44 177.08 1rxc n GLN 17 N -3.92 -7.08 -0.81 1.13 6.02 -0.73 -2.48 117.38 109.52 1rxc n GLN 17 Ca -0.02 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1rxc n GLN 17 Cb 0.55 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.21 1rxc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 18 N -1.73 0.77 3.74 1.08 0.00 -1.26 -4.77 105.19 103.02 1rxc n GLY 18 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1rxc n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc n ALA 19 N 0.42 2.37 -0.00 4.61 0.00 -1.03 -4.90 120.51 121.96 1rxc n ALA 19 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1rxc n ALA 19 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.01 1rxc n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxc n THR 20 N 2.03 0.00 -4.56 0.00 -2.24 -1.26 -4.33 114.28 103.92 1rxc n THR 20 Ca 0.09 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 1rxc n THR 20 Cb 0.36 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.43 1rxc n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxc s LEU 21 N -0.10 1.63 -0.04 3.22 0.20 -1.26 -0.49 118.68 121.84 1rxc s LEU 21 Ca 0.00 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.58 1rxc s LEU 21 Cb 0.00 -0.84 -0.02 0.00 -0.43 0.00 0.00 46.19 44.90 1rxc s LEU 21 CO 0.00 0.03 -0.24 0.00 -0.29 0.00 0.00 176.35 175.84 1rxc s ALA 22 N 0.71 2.21 -0.14 5.97 0.00 -0.43 -1.73 121.76 128.35 1rxc s ALA 22 Ca -0.14 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 1rxc s ALA 22 Cb -0.16 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1rxc s ALA 22 CO 0.03 0.48 0.47 0.42 0.00 0.00 0.00 175.76 177.16 1rxc s ILE 23 N -0.40 5.18 -0.52 0.00 1.01 0.44 -1.65 121.20 125.26 1rxc s ILE 23 Ca 0.04 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.64 1rxc s ILE 23 Cb -0.12 -3.81 0.14 0.00 0.01 0.00 0.00 42.46 38.68 1rxc s ILE 23 CO 0.01 0.29 0.28 0.68 0.00 0.00 0.00 174.94 176.21 1rxc s VAL 24 N 0.89 2.24 0.74 2.92 -7.23 0.07 -1.41 120.40 118.63 1rxc s VAL 24 Ca 0.25 -3.21 -0.11 0.00 -1.81 0.00 0.00 61.98 57.09 1rxc s VAL 24 Cb -0.15 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.28 1rxc s VAL 24 CO 0.10 -0.86 1.10 -2.16 -0.31 0.00 0.00 175.10 172.96 1rxc s PRO 25 N -0.25 2.58 -0.01 4.82 0.04 -1.24 -3.42 135.00 137.52 1rxc s PRO 25 Ca 0.18 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 61.54 1rxc s PRO 25 Cb -0.22 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 32.10 1rxc s PRO 25 CO -0.02 -1.25 1.09 0.78 0.04 0.00 0.00 177.00 177.64 1rxc h GLY 26 N -0.81 0.40 -5.69 0.56 0.00 -1.84 -1.43 103.07 94.26 1rxc h GLY 26 Ca -0.46 -0.70 -0.58 0.00 0.00 0.00 0.00 47.33 45.59 1rxc h GLY 26 CO 0.62 0.62 0.13 -0.35 0.00 0.00 0.00 176.54 177.56 1rxc s ASP 27 N -6.65 6.78 0.49 0.19 3.68 -1.26 -0.86 116.67 119.03 1rxc s ASP 27 Ca -0.14 0.94 0.15 0.00 2.13 0.00 0.00 52.55 55.63 1rxc s ASP 27 Cb 0.03 -2.37 1.17 0.00 -1.45 0.00 0.00 42.92 40.30 1rxc s ASP 27 CO 0.80 -0.24 2.10 1.55 0.13 0.00 0.00 175.17 179.51 1rxc h PRO 28 N 7.27 0.16 0.00 4.34 0.13 -1.89 -2.54 132.00 139.47 1rxc h PRO 28 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1rxc h PRO 28 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1rxc h PRO 28 CO 0.78 0.11 0.00 -0.44 -0.23 0.00 0.00 178.00 178.22 1rxc h ASP 29 N 0.17 0.00 1.34 1.44 3.32 -1.95 -3.07 116.42 117.66 1rxc h ASP 29 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1rxc h ASP 29 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rxc h ASP 29 CO -0.01 0.00 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.13 1rxc h ARG 30 N 0.00 0.00 -0.31 3.56 2.43 -1.87 -3.39 114.38 114.80 1rxc h ARG 30 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1rxc h ARG 30 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1rxc h ARG 30 CO 0.00 0.00 0.10 0.28 -1.51 0.00 0.00 179.97 178.84 1rxc h VAL 31 N 0.00 1.20 -0.86 0.20 2.07 -1.64 -2.03 116.25 115.19 1rxc h VAL 31 Ca 0.00 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1rxc h VAL 31 Cb 0.81 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1rxc h VAL 31 CO 0.00 0.22 0.53 -0.08 0.02 0.00 0.00 177.57 178.26 1rxc h GLU 32 N 0.34 1.15 -0.57 1.57 4.81 -1.80 -1.18 114.58 118.90 1rxc h GLU 32 Ca 0.10 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1rxc h GLU 32 Cb 0.25 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1rxc h GLU 32 CO -0.00 0.79 0.34 0.87 -0.73 0.00 0.00 179.01 180.28 1rxc h LYS 33 N 1.18 0.65 -0.24 1.92 6.56 -1.63 -1.60 116.57 123.40 1rxc h LYS 33 Ca 0.31 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.73 1rxc h LYS 33 Cb -0.08 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.44 1rxc h LYS 33 CO -0.06 0.43 -0.38 0.82 -2.06 0.00 0.00 179.45 178.20 1rxc h ILE 34 N 0.66 1.31 -0.23 1.86 2.04 -0.93 -3.15 117.51 119.08 1rxc h ILE 34 Ca 0.23 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1rxc h ILE 34 Cb 0.04 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1rxc h ILE 34 CO -0.11 0.50 0.06 0.00 0.00 0.00 0.00 178.15 178.60 1rxc h ALA 35 N 0.65 1.68 0.00 1.87 0.00 -1.05 -2.82 119.26 119.59 1rxc h ALA 35 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1rxc h ALA 35 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1rxc h ALA 35 CO 0.09 0.25 -0.20 0.00 0.00 0.00 0.00 179.25 179.39 1rxc h ALA 36 N 1.75 1.00 0.00 0.00 0.00 -1.25 -2.10 119.26 118.67 1rxc h ALA 36 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rxc h ALA 36 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rxc h ALA 36 CO -0.00 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1rxc n LEU 37 N -3.32 0.31 0.00 0.00 4.77 -1.06 -4.81 117.00 112.89 1rxc n LEU 37 Ca 0.01 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.34 1rxc n LEU 37 Cb 0.43 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1rxc n LEU 37 CO 0.33 -0.37 0.03 0.23 -1.33 0.00 0.00 177.39 176.28 1rxc n MET 38 N -1.84 0.84 -3.01 3.23 2.81 -0.79 -5.14 117.12 113.23 1rxc n MET 38 Ca 0.03 -2.84 -0.25 0.00 -1.81 0.00 0.00 57.70 52.82 1rxc n MET 38 Cb 0.21 0.35 -0.00 0.00 -0.71 0.00 0.00 33.22 33.07 1rxc n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxc s ASP 39 N -3.61 6.24 -1.39 7.83 -0.00 -0.58 -4.57 116.67 120.58 1rxc s ASP 39 Ca 0.23 0.66 -0.15 0.00 -0.00 0.00 0.00 52.55 53.29 1rxc s ASP 39 Cb -0.02 -2.09 0.02 0.00 -0.00 0.00 0.00 42.92 40.83 1rxc s ASP 39 CO 0.15 -0.46 0.33 0.29 -0.00 0.00 0.00 175.17 175.47 1rxc n LYS 40 N -2.03 -0.81 -2.32 8.23 4.76 -1.26 -0.33 118.16 124.39 1rxc n LYS 40 Ca -0.02 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 1rxc n LYS 40 Cb 0.56 -3.22 -0.03 0.00 -1.84 0.00 0.00 35.03 30.50 1rxc n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1rxc s PRO 41 N -7.33 4.31 -0.03 1.97 0.04 -1.26 -4.36 135.00 128.34 1rxc s PRO 41 Ca 0.22 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1rxc s PRO 41 Cb -0.12 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 30.88 1rxc s PRO 41 CO 0.98 -0.52 -0.04 0.08 0.04 0.00 0.00 177.00 177.54 1rxc s VAL 42 N 2.30 0.42 0.07 -0.36 1.01 0.23 -5.01 120.40 119.07 1rxc s VAL 42 Ca 0.61 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 1rxc s VAL 42 Cb -0.29 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 1rxc s VAL 42 CO 0.25 0.18 1.24 -0.75 0.00 0.00 0.00 175.10 176.01 1rxc s LYS 43 N 0.68 4.41 -0.23 2.72 2.20 -1.26 -0.62 119.74 127.64 1rxc s LYS 43 Ca -0.08 1.83 -0.05 0.00 -0.36 0.00 0.00 55.97 57.31 1rxc s LYS 43 Cb -0.12 -3.33 -0.18 0.00 -1.51 0.00 0.00 37.83 32.70 1rxc s LYS 43 CO -0.00 -0.29 -0.10 1.28 -0.36 0.00 0.00 175.35 175.88 1rxc n LEU 44 N 3.93 2.62 -3.66 5.43 4.77 0.34 -4.89 117.00 125.54 1rxc n LEU 44 Ca 0.09 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1rxc n LEU 44 Cb 0.46 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1rxc n LEU 44 CO 0.56 0.80 0.90 0.00 -1.33 0.00 0.00 177.39 178.32 1rxc s ALA 45 N -2.51 -1.97 -0.30 -1.18 0.00 -0.96 -5.00 121.76 109.84 1rxc s ALA 45 Ca -0.33 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1rxc s ALA 45 Cb 0.09 0.42 0.19 0.00 0.00 0.00 0.00 23.12 23.82 1rxc s ALA 45 CO 0.61 -0.97 0.58 0.45 0.00 0.00 0.00 175.76 176.43 1rxc s SER 46 N -2.84 -1.33 -0.01 0.00 0.15 -1.26 -1.21 113.70 107.20 1rxc s SER 46 Ca 0.12 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1rxc s SER 46 Cb 0.02 2.08 0.00 0.00 -1.71 0.00 0.00 66.02 66.41 1rxc s SER 46 CO -0.02 -0.27 -0.06 -1.00 1.20 0.00 0.00 173.24 173.09 1rxc s HIS 47 N 2.83 0.60 0.00 3.44 3.76 -0.83 -5.00 115.29 120.09 1rxc s HIS 47 Ca 0.19 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1rxc s HIS 47 Cb -0.14 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.12 1rxc s HIS 47 CO -0.22 -0.04 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1rxc n ARG 48 N 3.15 0.00 0.00 1.40 1.74 -1.26 -0.82 116.66 120.87 1rxc n ARG 48 Ca -0.16 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.06 1rxc n ARG 48 Cb 0.56 0.00 0.52 0.00 -1.02 0.00 0.00 32.46 32.52 1rxc n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxc n GLU 49 N 14.00 1.57 -3.22 5.56 0.00 -1.26 -4.78 120.64 132.51 1rxc n GLU 49 Ca 0.00 -0.90 -0.45 0.00 0.00 0.00 0.00 57.16 55.81 1rxc n GLU 49 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 31.44 29.91 1rxc n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxc s PHE 50 N -2.05 3.13 -0.18 -1.84 0.08 -0.00 -4.08 117.98 113.04 1rxc s PHE 50 Ca 0.37 -1.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.27 1rxc s PHE 50 Cb 0.21 -3.84 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1rxc s PHE 50 CO 0.35 -1.12 0.03 0.99 -0.10 0.00 0.00 175.22 175.37 1rxc s THR 51 N 2.11 4.38 -0.11 0.64 2.01 -1.26 -1.97 115.64 121.45 1rxc s THR 51 Ca 0.07 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1rxc s THR 51 Cb -0.27 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1rxc s THR 51 CO 0.05 0.46 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.36 1rxc s THR 52 N 0.55 1.69 0.09 -0.82 2.01 -0.35 -1.56 115.64 117.24 1rxc s THR 52 Ca 0.01 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 61.33 1rxc s THR 52 Cb -0.13 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1rxc s THR 52 CO 0.02 0.48 -0.25 0.26 -0.69 0.00 0.00 174.62 174.43 1rxc s TRP 53 N 0.77 2.36 0.06 4.92 0.52 0.45 -0.51 118.94 127.51 1rxc s TRP 53 Ca -0.10 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.67 1rxc s TRP 53 Cb -0.16 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 1rxc s TRP 53 CO 0.01 0.25 0.07 0.50 0.02 0.00 0.00 176.95 177.81 1rxc s ARG 54 N -1.69 2.89 0.36 4.98 3.52 0.21 -0.60 118.95 128.62 1rxc s ARG 54 Ca 0.14 -0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1rxc s ARG 54 Cb -0.10 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1rxc s ARG 54 CO 0.05 0.59 0.57 0.00 -0.81 0.00 0.00 175.30 175.69 1rxc s ALA 55 N -1.32 0.36 0.04 6.12 0.00 -0.32 -0.60 121.76 126.04 1rxc s ALA 55 Ca 0.27 -1.31 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1rxc s ALA 55 Cb -0.12 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 1rxc s ALA 55 CO 0.19 -0.85 -0.24 -1.21 0.00 0.00 0.00 175.76 173.65 1rxc s GLU 56 N -2.81 1.67 -0.13 0.00 2.02 0.55 -0.54 118.70 119.45 1rxc s GLU 56 Ca 0.26 -1.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 1rxc s GLU 56 Cb -0.02 -1.82 0.05 0.00 0.10 0.00 0.00 34.13 32.44 1rxc s GLU 56 CO 0.18 0.47 0.04 -1.17 0.02 0.00 0.00 175.26 174.80 1rxc s LEU 57 N -1.18 0.72 -1.57 1.80 2.96 0.48 -1.53 118.68 120.34 1rxc s LEU 57 Ca 0.10 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1rxc s LEU 57 Cb -0.10 -0.43 0.09 0.00 0.50 0.00 0.00 46.19 46.25 1rxc s LEU 57 CO 0.02 -0.27 0.61 0.47 -1.32 0.00 0.00 176.35 175.86 1rxc n ASP 58 N 5.15 -1.98 0.00 3.68 8.00 -1.26 -1.45 116.55 128.69 1rxc n ASP 58 Ca -0.07 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1rxc n ASP 58 Cb 0.49 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 1rxc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxc n GLY 59 N -1.70 0.77 3.25 0.44 0.00 -1.26 -5.04 105.19 101.65 1rxc n GLY 59 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1rxc n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxc s LYS 60 N -0.17 2.44 0.35 1.61 -0.14 -0.53 -5.08 119.74 118.21 1rxc s LYS 60 Ca 0.00 -0.87 -0.28 0.00 -1.36 0.00 0.00 55.97 53.46 1rxc s LYS 60 Cb 0.00 -2.08 -0.10 0.00 -1.68 0.00 0.00 37.83 33.97 1rxc s LYS 60 CO 0.00 0.37 1.29 -1.25 -0.76 0.00 0.00 175.35 175.00 1rxc s PRO 61 N -0.16 4.28 -0.07 -1.68 0.04 -1.26 -0.39 135.00 135.76 1rxc s PRO 61 Ca -0.03 2.17 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 1rxc s PRO 61 Cb -0.13 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.44 1rxc s PRO 61 CO 0.03 -0.23 0.18 0.08 0.04 0.00 0.00 177.00 177.10 1rxc s VAL 62 N -1.18 -0.02 -0.06 -0.36 1.01 0.30 -4.40 120.40 115.69 1rxc s VAL 62 Ca 0.51 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1rxc s VAL 62 Cb -0.39 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1rxc s VAL 62 CO 0.51 0.03 0.23 -0.63 0.00 0.00 0.00 175.10 175.24 1rxc s ILE 63 N 0.59 5.35 -0.16 2.22 -1.09 -0.71 -1.17 121.20 126.23 1rxc s ILE 63 Ca -0.04 0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1rxc s ILE 63 Cb -0.06 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1rxc s ILE 63 CO -0.03 0.55 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.34 1rxc s VAL 64 N -1.11 1.96 -0.07 2.92 1.01 0.23 -0.42 120.40 124.92 1rxc s VAL 64 Ca 0.20 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1rxc s VAL 64 Cb -0.13 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1rxc s VAL 64 CO 0.09 0.53 0.14 0.00 0.00 0.00 0.00 175.10 175.85 1rxc s SER 66 N 1.65 6.91 -0.02 0.00 1.04 -0.60 -3.66 113.70 119.01 1rxc s SER 66 Ca -0.04 1.92 0.21 0.00 0.48 0.00 0.00 55.95 58.52 1rxc s SER 66 Cb -0.12 -2.57 -0.30 0.00 0.10 0.00 0.00 66.02 63.12 1rxc s SER 66 CO -0.05 -0.38 0.56 0.35 0.98 0.00 0.00 173.24 174.69 1rxc n THR 67 N -0.08 0.00 -0.66 2.02 -2.24 -0.54 -4.39 114.28 108.40 1rxc n THR 67 Ca 0.05 -0.37 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1rxc n THR 67 Cb 0.51 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1rxc n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxc n GLY 68 N 1.34 -1.79 3.72 3.38 0.00 -0.04 -3.43 105.19 108.38 1rxc n GLY 68 Ca -0.02 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1rxc n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 69 N -1.89 4.43 0.00 -0.61 1.01 -1.26 -4.71 121.20 118.17 1rxc s ILE 69 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1rxc s ILE 69 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1rxc s ILE 69 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1rxc n GLY 70 N 2.70 2.77 0.31 6.18 0.00 -1.26 -4.68 105.19 111.20 1rxc n GLY 70 Ca 0.05 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.40 1rxc n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxc h GLY 71 N 0.00 1.33 0.56 -0.02 0.00 -1.86 -2.53 103.07 100.55 1rxc h GLY 71 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1rxc h GLY 71 CO 0.00 0.04 -0.14 -2.55 0.00 0.00 0.00 176.54 173.89 1rxc h PRO 72 N 0.70 -0.19 0.00 4.80 0.11 -1.95 0.18 132.00 135.65 1rxc h PRO 72 Ca 0.43 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.45 1rxc h PRO 72 Cb 0.52 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1rxc h PRO 72 CO -0.31 -0.13 -0.49 0.66 -0.21 0.00 0.00 178.00 177.52 1rxc h SER 73 N -0.20 0.00 -0.54 -2.05 4.64 -1.80 -2.76 113.55 110.84 1rxc h SER 73 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1rxc h SER 73 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1rxc h SER 73 CO -0.19 0.49 0.28 0.74 -0.87 0.00 0.00 176.83 177.28 1rxc h THR 74 N 0.00 1.19 0.00 2.95 2.02 -1.17 -2.49 112.91 115.41 1rxc h THR 74 Ca -0.00 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 1rxc h THR 74 Cb 1.31 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1rxc h THR 74 CO 0.06 0.21 -0.19 0.77 0.37 0.00 0.00 175.52 176.74 1rxc h SER 75 N 0.72 0.00 -0.05 4.18 4.64 -0.38 -1.56 113.55 121.10 1rxc h SER 75 Ca 0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1rxc h SER 75 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1rxc h SER 75 CO -0.03 0.19 -0.34 0.40 -0.87 0.00 0.00 176.83 176.19 1rxc h ILE 76 N 0.00 1.44 -0.47 0.95 2.04 -1.26 -2.39 117.51 117.83 1rxc h ILE 76 Ca -0.00 -1.78 -0.11 0.00 1.00 0.00 0.00 64.86 63.96 1rxc h ILE 76 Cb 0.44 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1rxc h ILE 76 CO 0.03 0.51 -0.15 0.00 0.00 0.00 0.00 178.15 178.54 1rxc h ALA 77 N 0.40 0.65 -0.20 1.87 0.00 -1.13 -1.16 119.26 119.69 1rxc h ALA 77 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1rxc h ALA 77 Cb 1.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1rxc h ALA 77 CO 0.07 0.58 -0.08 0.28 0.00 0.00 0.00 179.25 180.10 1rxc h VAL 78 N 0.77 1.30 -0.46 0.00 2.07 -1.40 -0.09 116.25 118.43 1rxc h VAL 78 Ca 0.11 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1rxc h VAL 78 Cb 0.71 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1rxc h VAL 78 CO 0.05 0.34 0.30 -0.08 0.02 0.00 0.00 177.57 178.20 1rxc h GLU 79 N 0.10 0.61 0.00 1.57 4.57 -1.36 -0.65 114.58 119.43 1rxc h GLU 79 Ca 0.05 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 1rxc h GLU 79 Cb 0.55 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1rxc h GLU 79 CO 0.03 0.41 -0.86 0.93 -1.18 0.00 0.00 179.01 178.34 1rxc h GLU 80 N 0.63 0.07 -0.01 1.92 5.08 -1.17 -1.81 114.58 119.29 1rxc h GLU 80 Ca 0.17 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1rxc h GLU 80 Cb -0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1rxc h GLU 80 CO -0.04 0.89 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.27 1rxc h LEU 81 N 0.03 0.02 -0.61 1.33 3.38 -0.91 -2.73 115.31 115.83 1rxc h LEU 81 Ca -0.02 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1rxc h LEU 81 Cb 1.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1rxc h LEU 81 CO 0.12 0.54 -0.44 0.00 0.09 0.00 0.00 178.44 178.74 1rxc h ALA 82 N 1.47 0.79 -0.01 1.53 0.00 -0.73 -0.46 119.26 121.85 1rxc h ALA 82 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1rxc h ALA 82 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1rxc h ALA 82 CO 0.07 0.66 -0.25 1.96 0.00 0.00 0.00 179.25 181.68 1rxc h GLN 83 N 0.48 0.01 -0.01 0.00 4.20 -1.21 -2.45 115.11 116.13 1rxc h GLN 83 Ca 0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1rxc h GLN 83 Cb 0.96 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1rxc h GLN 83 CO 0.09 0.26 -0.08 1.28 -0.67 0.00 0.00 178.83 179.71 1rxc n LEU 84 N -4.23 0.67 0.00 1.46 4.32 -0.94 -4.92 117.00 113.36 1rxc n LEU 84 Ca -0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1rxc n LEU 84 Cb 0.31 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1rxc n LEU 84 CO 0.37 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 1rxc n GLY 85 N 1.21 1.19 3.72 -0.72 0.00 -0.92 -4.82 105.19 104.85 1rxc n GLY 85 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rxc n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 86 N -2.00 4.75 -0.01 -0.61 -1.09 -0.23 -4.37 121.20 117.64 1rxc s ILE 86 Ca 0.00 2.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1rxc s ILE 86 Cb 0.00 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1rxc s ILE 86 CO 0.00 0.23 0.01 0.54 -1.23 0.00 0.00 174.94 174.49 1rxc n ARG 87 N 3.47 2.47 -4.18 2.79 5.12 0.36 -4.26 116.66 122.42 1rxc n ARG 87 Ca 0.04 -0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.69 1rxc n ARG 87 Cb 0.50 -0.83 -0.17 0.00 -1.16 0.00 0.00 32.46 30.80 1rxc n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxc s THR 88 N -1.68 1.14 -0.09 0.55 2.01 -0.81 -1.46 115.64 115.31 1rxc s THR 88 Ca -0.00 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1rxc s THR 88 Cb 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1rxc s THR 88 CO 0.02 0.38 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.76 1rxc s PHE 89 N 1.29 2.59 -0.26 4.92 0.08 -0.10 -1.31 117.98 125.19 1rxc s PHE 89 Ca -0.02 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.26 1rxc s PHE 89 Cb -0.14 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.68 1rxc s PHE 89 CO -0.04 -0.26 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.25 1rxc s LEU 90 N 0.11 3.17 0.02 -0.37 1.43 -0.66 -1.54 118.68 120.84 1rxc s LEU 90 Ca -0.10 -1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 51.29 1rxc s LEU 90 Cb -0.16 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1rxc s LEU 90 CO 0.06 -0.24 0.96 -0.60 0.23 0.00 0.00 176.35 176.75 1rxc s ARG 91 N 1.23 4.58 -0.14 1.70 3.52 -0.36 -0.75 118.95 128.72 1rxc s ARG 91 Ca -0.04 1.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.97 1rxc s ARG 91 Cb -0.19 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1rxc s ARG 91 CO -0.07 0.01 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.73 1rxc s ILE 92 N 0.79 2.23 0.30 4.11 -1.16 -1.22 -1.57 121.20 124.68 1rxc s ILE 92 Ca 0.50 -0.92 0.05 0.00 -0.51 0.00 0.00 60.65 59.77 1rxc s ILE 92 Cb -0.21 -1.91 -0.02 0.00 0.61 0.00 0.00 42.46 40.93 1rxc s ILE 92 CO 0.28 0.54 0.19 0.61 -2.81 0.00 0.00 174.94 173.75 1rxc n GLY 93 N 4.06 3.21 3.75 1.50 0.00 -0.70 -3.93 105.19 113.08 1rxc n GLY 93 Ca -0.20 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 1rxc n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxc s THR 94 N -3.01 3.89 0.14 2.61 -4.23 -1.26 -0.92 115.64 112.87 1rxc s THR 94 Ca 0.27 -1.62 -0.24 0.00 -1.18 0.00 0.00 61.69 58.92 1rxc s THR 94 Cb 0.01 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.78 1rxc s THR 94 CO 0.19 -0.33 0.63 0.28 -0.54 0.00 0.00 174.62 174.85 1rxc s THR 95 N -2.24 0.00 -0.24 3.99 -1.32 -0.46 -4.84 115.64 110.53 1rxc s THR 95 Ca 0.33 -0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 60.78 1rxc s THR 95 Cb -0.07 -1.01 0.01 0.00 -1.51 0.00 0.00 72.50 69.93 1rxc s THR 95 CO 0.23 0.00 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.76 1rxc s GLY 96 N -2.72 1.62 0.37 6.08 0.00 -0.91 -1.81 107.32 109.95 1rxc s GLY 96 Ca 0.02 -1.34 -0.26 0.00 0.00 0.00 0.00 44.72 43.13 1rxc s GLY 96 CO -0.12 0.49 1.14 0.00 0.00 0.00 0.00 173.10 174.61 1rxc s ALA 97 N 1.40 3.23 -0.31 3.20 0.00 -0.36 -1.05 121.76 127.86 1rxc s ALA 97 Ca 0.03 0.93 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1rxc s ALA 97 Cb -0.16 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.73 1rxc s ALA 97 CO -0.04 -0.40 1.10 0.44 0.00 0.00 0.00 175.76 176.86 1rxc n ILE 98 N 0.37 1.07 -4.98 0.00 -5.35 -0.42 0.03 119.36 110.07 1rxc n ILE 98 Ca 0.03 -1.07 -0.32 0.00 -0.27 0.00 0.00 62.75 61.11 1rxc n ILE 98 Cb 0.46 0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 38.67 1rxc n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxc s GLN 99 N -1.12 2.60 0.59 6.28 -1.52 -1.25 -4.67 119.66 120.56 1rxc s GLN 99 Ca 0.10 -0.75 0.36 0.00 -1.95 0.00 0.00 55.36 53.12 1rxc s GLN 99 Cb 0.06 -2.34 1.78 0.00 -0.22 0.00 0.00 33.01 32.29 1rxc s GLN 99 CO 0.05 0.52 2.15 -1.00 -0.25 0.00 0.00 175.29 176.76 1rxc h PRO 100 N 5.68 0.00 0.00 2.91 0.13 -1.97 -2.55 132.00 136.20 1rxc h PRO 100 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1rxc h PRO 100 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1rxc h PRO 100 CO 0.50 0.03 -0.26 -2.39 -0.23 0.00 0.00 178.00 175.65 1rxc n HIS 101 N -3.22 0.05 -3.27 1.56 1.44 -1.26 -4.83 115.22 105.68 1rxc n HIS 101 Ca -0.01 0.01 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1rxc n HIS 101 Cb 0.20 -0.40 -0.06 0.00 0.12 0.00 0.00 29.99 29.86 1rxc n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxc s ILE 102 N -3.01 4.99 0.17 0.61 1.01 -0.96 -5.07 121.20 118.94 1rxc s ILE 102 Ca 0.12 1.12 0.05 0.00 0.00 0.00 0.00 60.65 61.94 1rxc s ILE 102 Cb 0.18 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1rxc s ILE 102 CO 0.62 0.42 0.17 0.20 0.00 0.00 0.00 174.94 176.35 1rxc s ASN 103 N -0.13 5.64 0.25 3.58 0.01 -1.26 -4.92 114.94 118.11 1rxc s ASN 103 Ca 0.29 -0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 52.04 1rxc s ASN 103 Cb -0.17 -1.50 -0.10 0.00 0.41 0.00 0.00 41.25 39.88 1rxc s ASN 103 CO 0.15 0.05 1.44 -0.69 -1.51 0.00 0.00 177.10 176.55 1rxc s VAL 104 N -1.79 2.64 0.00 1.60 1.01 -1.26 -2.06 120.40 120.53 1rxc s VAL 104 Ca 0.32 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1rxc s VAL 104 Cb -0.10 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1rxc s VAL 104 CO 0.24 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1rxc n GLY 105 N 2.17 2.84 3.80 4.51 0.00 -0.41 -5.00 105.19 113.09 1rxc n GLY 105 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1rxc n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxc s ASP 106 N -1.20 5.06 -0.19 1.61 1.01 -0.88 -4.75 116.67 117.34 1rxc s ASP 106 Ca 0.00 1.70 -0.03 0.00 0.71 0.00 0.00 52.55 54.93 1rxc s ASP 106 Cb 0.00 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1rxc s ASP 106 CO 0.00 -1.66 -0.05 -0.69 0.21 0.00 0.00 175.17 172.98 1rxc s VAL 107 N -2.97 3.49 -0.20 -1.27 1.01 -0.90 -1.91 120.40 117.65 1rxc s VAL 107 Ca 0.59 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1rxc s VAL 107 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1rxc s VAL 107 CO 0.55 0.45 -0.11 -0.76 0.00 0.00 0.00 175.10 175.23 1rxc s LEU 108 N 1.06 2.57 -0.23 3.92 1.43 -0.56 -1.42 118.68 125.45 1rxc s LEU 108 Ca 0.01 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1rxc s LEU 108 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1rxc s LEU 108 CO 0.00 0.00 0.11 -0.69 0.23 0.00 0.00 176.35 176.00 1rxc s VAL 109 N 1.33 4.90 -0.23 -1.59 1.01 -0.12 -1.75 120.40 123.94 1rxc s VAL 109 Ca 0.04 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 1rxc s VAL 109 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1rxc s VAL 109 CO -0.06 0.37 0.60 -0.89 0.00 0.00 0.00 175.10 175.12 1rxc s THR 110 N 1.08 5.02 0.09 3.92 2.01 -0.69 -1.65 115.64 125.43 1rxc s THR 110 Ca 0.06 1.10 -0.00 0.00 0.31 0.00 0.00 61.69 63.15 1rxc s THR 110 Cb -0.14 -3.91 -0.25 0.00 0.01 0.00 0.00 72.50 68.20 1rxc s THR 110 CO 0.04 0.07 1.20 0.71 -0.69 0.00 0.00 174.62 175.95 1rxc h THR 111 N 5.32 1.57 -1.84 -0.82 1.35 -1.48 -3.41 112.91 113.60 1rxc h THR 111 Ca -0.29 -3.16 0.16 0.00 -0.55 0.00 0.00 66.41 62.57 1rxc h THR 111 Cb 1.13 2.89 -0.18 0.00 -1.73 0.00 0.00 68.15 70.26 1rxc h THR 111 CO 0.76 0.92 0.63 0.00 -0.25 0.00 0.00 175.52 177.58 1rxc s ALA 112 N -2.70 -1.94 0.13 6.62 0.00 -1.26 -1.26 121.76 121.35 1rxc s ALA 112 Ca -0.02 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.39 1rxc s ALA 112 Cb 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1rxc s ALA 112 CO 0.86 -0.59 -0.27 -1.12 0.00 0.00 0.00 175.76 174.64 1rxc s SER 113 N -2.13 3.32 -0.18 0.00 0.01 -0.36 -1.88 113.70 112.49 1rxc s SER 113 Ca 0.06 -0.75 -0.28 0.00 1.31 0.00 0.00 55.95 56.29 1rxc s SER 113 Cb -0.01 -0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 1rxc s SER 113 CO -0.06 0.18 0.95 -0.69 0.41 0.00 0.00 173.24 174.03 1rxc s VAL 114 N -1.06 4.78 -1.07 3.43 1.01 0.64 -4.35 120.40 123.78 1rxc s VAL 114 Ca 0.14 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 1rxc s VAL 114 Cb -0.10 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.14 1rxc s VAL 114 CO 0.06 -0.06 1.38 -0.13 0.00 0.00 0.00 175.10 176.35 1rxc s ARG 115 N 2.51 3.75 -0.47 2.72 0.52 -1.26 -1.76 118.95 124.95 1rxc s ARG 115 Ca 0.43 -1.76 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1rxc s ARG 115 Cb -0.16 -5.18 0.52 0.00 0.52 0.00 0.00 34.95 30.65 1rxc s ARG 115 CO 0.11 -1.98 1.90 1.28 0.02 0.00 0.00 175.30 176.63 1rxc n LEU 116 N 7.39 6.74 -4.57 2.53 4.77 -0.46 -4.95 117.00 128.45 1rxc n LEU 116 Ca 0.33 -3.63 -0.26 0.00 -0.03 0.00 0.00 56.01 52.42 1rxc n LEU 116 Cb 0.48 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 1rxc n LEU 116 CO 0.62 1.14 -0.26 1.51 -1.33 0.00 0.00 177.39 179.07 1rxc s ASP 117 N -1.18 3.22 -0.24 -1.43 3.84 -1.22 -1.93 116.67 117.73 1rxc s ASP 117 Ca 0.53 -1.48 0.04 0.00 -0.00 0.00 0.00 52.55 51.64 1rxc s ASP 117 Cb 0.44 0.03 -0.17 0.00 -1.38 0.00 0.00 42.92 41.84 1rxc s ASP 117 CO 0.06 -0.66 -0.19 0.61 -0.00 0.00 0.00 175.17 174.99 1rxc n GLY 118 N -0.92 -0.42 0.29 2.12 0.00 -1.26 -4.68 105.19 100.33 1rxc n GLY 118 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 1rxc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc h ALA 119 N 0.12 1.29 -1.00 4.61 0.00 -1.98 -2.41 119.26 119.89 1rxc h ALA 119 Ca -0.55 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.27 1rxc h ALA 119 Cb 1.91 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1rxc h ALA 119 CO -0.07 0.50 0.63 0.66 0.00 0.00 0.00 179.25 180.97 1rxc h SER 120 N 0.71 0.94 -0.04 0.00 4.64 -1.85 -1.16 113.55 116.79 1rxc h SER 120 Ca 0.16 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1rxc h SER 120 Cb 0.28 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1rxc h SER 120 CO -0.00 0.53 0.03 -0.07 -0.87 0.00 0.00 176.83 176.45 1rxc h LEU 121 N 1.02 0.00 0.00 5.97 3.38 -1.55 -1.12 115.31 123.02 1rxc h LEU 121 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1rxc h LEU 121 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rxc h LEU 121 CO -0.24 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.70 1rxc n HIS 122 N -4.05 0.00 -0.00 1.13 8.25 -0.44 -3.52 115.22 116.60 1rxc n HIS 122 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1rxc n HIS 122 Cb 0.13 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 1rxc n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxc n PHE 123 N -1.23 0.00 -3.55 4.41 3.72 -0.49 -5.08 117.46 115.22 1rxc n PHE 123 Ca 0.11 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.35 1rxc n PHE 123 Cb 0.15 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1rxc n PHE 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxc s ALA 124 N -2.05 -1.81 0.86 4.37 0.00 -0.79 -4.97 121.76 117.38 1rxc s ALA 124 Ca -0.01 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 1rxc s ALA 124 Cb 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 23.12 22.84 1rxc s ALA 124 CO 0.05 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 175.32 1rxc s PRO 125 N -0.83 1.49 0.48 0.00 0.04 -1.26 -3.93 135.00 130.99 1rxc s PRO 125 Ca -0.07 1.21 0.17 0.00 0.04 0.00 0.00 61.00 62.35 1rxc s PRO 125 Cb -0.01 -1.81 1.17 0.00 0.04 0.00 0.00 34.50 33.90 1rxc s PRO 125 CO 0.06 -2.19 2.03 1.25 0.04 0.00 0.00 177.00 178.19 1rxc h LEU 126 N -1.53 0.19 -1.35 -3.56 5.85 -1.94 -1.40 115.31 111.57 1rxc h LEU 126 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1rxc h LEU 126 Cb 1.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1rxc h LEU 126 CO 0.49 0.12 0.00 1.05 -0.34 0.00 0.00 178.44 179.75 1rxc h GLU 127 N 0.21 0.00 -6.52 1.25 9.09 -2.03 -3.43 114.58 113.15 1rxc h GLU 127 Ca 0.19 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.07 1rxc h GLU 127 Cb 0.49 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1rxc h GLU 127 CO -0.03 0.00 0.47 0.12 0.05 0.00 0.00 179.01 179.62 1rxc s PHE 128 N -3.54 3.57 0.01 2.06 5.36 -0.53 -5.00 117.98 119.91 1rxc s PHE 128 Ca -0.00 1.53 -0.30 0.00 -0.96 0.00 0.00 56.93 57.19 1rxc s PHE 128 Cb 0.08 -3.27 -0.05 0.00 -0.34 0.00 0.00 43.02 39.44 1rxc s PHE 128 CO 0.30 -0.64 1.19 -1.25 -1.46 0.00 0.00 175.22 173.35 1rxc s PRO 129 N 0.57 4.41 -1.22 10.12 0.04 -1.26 -4.92 135.00 142.74 1rxc s PRO 129 Ca 0.53 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 1rxc s PRO 129 Cb -0.27 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 1rxc s PRO 129 CO 0.30 -0.33 2.03 0.00 0.04 0.00 0.00 177.00 179.05 1rxc n ALA 130 N 4.46 4.23 -2.77 8.56 0.00 -1.26 -4.80 120.51 128.94 1rxc n ALA 130 Ca 0.10 -3.64 -0.35 0.00 0.00 0.00 0.00 53.44 49.55 1rxc n ALA 130 Cb 0.47 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.26 1rxc n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxc s VAL 131 N 4.63 4.77 0.61 0.00 0.11 -1.26 -1.22 120.40 128.03 1rxc s VAL 131 Ca 0.53 -0.16 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 1rxc s VAL 131 Cb 0.11 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 1rxc s VAL 131 CO 0.02 0.54 1.06 0.00 -3.33 0.00 0.00 175.10 173.39 1rxc s ALA 132 N -1.01 2.71 0.23 1.54 0.00 -0.39 -4.74 121.76 120.11 1rxc s ALA 132 Ca 0.16 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1rxc s ALA 132 Cb -0.12 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1rxc s ALA 132 CO 0.06 -0.89 1.28 0.34 0.00 0.00 0.00 175.76 176.54 1rxc s ASP 133 N -2.89 6.93 0.20 0.00 -1.08 -0.26 -4.95 116.67 114.63 1rxc s ASP 133 Ca 0.63 2.42 -0.08 0.00 -0.52 0.00 0.00 52.55 55.00 1rxc s ASP 133 Cb -0.16 -2.62 0.13 0.00 -1.46 0.00 0.00 42.92 38.81 1rxc s ASP 133 CO 0.39 -0.47 1.72 0.15 0.52 0.00 0.00 175.17 177.48 1rxc h PHE 134 N 4.84 1.19 -0.42 -5.34 3.04 -1.95 -1.54 116.94 116.76 1rxc h PHE 134 Ca -0.46 -0.14 -0.05 0.00 3.98 0.00 0.00 57.97 61.30 1rxc h PHE 134 Cb 1.22 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1rxc h PHE 134 CO 0.61 0.97 0.09 0.93 -2.02 0.00 0.00 178.31 178.88 1rxc h GLU 135 N 1.07 0.69 -0.65 1.11 5.08 -1.95 -1.50 114.58 118.44 1rxc h GLU 135 Ca 0.22 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1rxc h GLU 135 Cb 0.38 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1rxc h GLU 135 CO 0.00 0.71 0.24 0.00 -1.00 0.00 0.00 179.01 178.97 1rxc h THR 137 N 0.93 1.25 -0.58 0.00 2.02 -1.26 -1.84 112.91 113.43 1rxc h THR 137 Ca 0.21 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1rxc h THR 137 Cb 0.24 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1rxc h THR 137 CO -0.01 0.31 0.34 0.74 0.37 0.00 0.00 175.52 177.26 1rxc h THR 138 N 0.53 1.03 -0.38 3.16 2.02 -1.08 -1.35 112.91 116.85 1rxc h THR 138 Ca 0.12 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1rxc h THR 138 Cb 0.39 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1rxc h THR 138 CO 0.01 0.12 -0.03 0.00 0.37 0.00 0.00 175.52 175.99 1rxc h ALA 139 N 1.27 1.24 -0.20 6.16 0.00 -1.00 -1.82 119.26 124.91 1rxc h ALA 139 Ca 0.24 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1rxc h ALA 139 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rxc h ALA 139 CO -0.12 0.50 -0.14 -0.07 0.00 0.00 0.00 179.25 179.42 1rxc h LEU 140 N 0.58 0.46 0.06 0.00 3.38 -0.75 -1.24 115.31 117.81 1rxc h LEU 140 Ca 0.12 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1rxc h LEU 140 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1rxc h LEU 140 CO 0.02 0.80 -0.03 0.58 0.09 0.00 0.00 178.44 179.90 1rxc h VAL 141 N 0.12 0.97 -0.29 1.22 2.07 -1.16 -1.57 116.25 117.61 1rxc h VAL 141 Ca 0.04 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1rxc h VAL 141 Cb 0.65 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1rxc h VAL 141 CO 0.04 0.03 -0.17 -0.33 0.02 0.00 0.00 177.57 177.16 1rxc h GLU 142 N -0.13 0.51 -0.44 1.57 5.08 -1.35 -0.86 114.58 118.95 1rxc h GLU 142 Ca -0.01 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1rxc h GLU 142 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1rxc h GLU 142 CO 0.01 0.66 0.13 0.00 -1.00 0.00 0.00 179.01 178.82 1rxc h ALA 143 N 1.36 0.58 -0.49 3.43 0.00 -1.09 -1.02 119.26 122.02 1rxc h ALA 143 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rxc h ALA 143 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rxc h ALA 143 CO 0.04 0.23 0.19 0.00 0.00 0.00 0.00 179.25 179.71 1rxc h ALA 144 N 0.99 0.64 -0.36 0.00 0.00 -0.88 -2.38 119.26 117.26 1rxc h ALA 144 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rxc h ALA 144 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1rxc h ALA 144 CO -0.00 0.25 0.16 -0.22 0.00 0.00 0.00 179.25 179.44 1rxc h LYS 145 N 0.65 0.50 -0.14 0.00 1.63 -1.01 -1.84 116.57 116.36 1rxc h LYS 145 Ca 0.16 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.75 1rxc h LYS 145 Cb 0.21 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1rxc h LYS 145 CO -0.01 0.40 -0.59 0.66 -3.45 0.00 0.00 179.45 176.45 1rxc h SER 146 N 0.50 0.52 -0.04 4.20 4.64 -0.67 -2.77 113.55 119.93 1rxc h SER 146 Ca 0.13 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1rxc h SER 146 Cb 0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1rxc h SER 146 CO -0.02 1.00 0.00 2.30 -0.87 0.00 0.00 176.83 179.24 1rxc n ILE 147 N -3.92 0.03 -1.91 0.95 -5.35 -1.08 -4.97 119.36 103.12 1rxc n ILE 147 Ca -0.03 -0.31 -0.09 0.00 -0.27 0.00 0.00 62.75 62.05 1rxc n ILE 147 Cb 0.62 0.64 -0.01 0.00 -1.74 0.00 0.00 39.64 39.15 1rxc n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rxc n GLY 148 N 1.20 0.31 3.76 3.28 0.00 -0.74 -5.01 105.19 107.99 1rxc n GLY 148 Ca 0.18 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1rxc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc s ALA 149 N -2.42 3.36 -0.15 4.61 0.00 -0.89 -5.00 121.76 121.29 1rxc s ALA 149 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1rxc s ALA 149 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1rxc s ALA 149 CO 0.00 -0.07 1.28 -0.08 0.00 0.00 0.00 175.76 176.89 1rxc s THR 150 N -1.21 4.23 0.04 0.00 -1.32 -1.26 -4.70 115.64 111.41 1rxc s THR 150 Ca 0.45 1.50 0.04 0.00 -1.21 0.00 0.00 61.69 62.47 1rxc s THR 150 Cb -0.30 -3.97 -0.02 0.00 -1.51 0.00 0.00 72.50 66.71 1rxc s THR 150 CO 0.38 -0.12 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.65 1rxc s THR 151 N 3.38 1.00 0.03 5.08 2.01 -1.26 -2.12 115.64 123.77 1rxc s THR 151 Ca 0.56 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1rxc s THR 151 Cb -0.23 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1rxc s THR 151 CO 0.16 -0.02 -0.14 -1.00 -0.69 0.00 0.00 174.62 172.93 1rxc s HIS 152 N -0.84 1.21 -0.14 4.92 3.76 -0.51 -4.98 115.29 118.72 1rxc s HIS 152 Ca 0.00 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1rxc s HIS 152 Cb -0.08 -0.72 0.02 0.00 1.11 0.00 0.00 32.58 32.91 1rxc s HIS 152 CO 0.01 0.03 -0.17 0.08 -0.85 0.00 0.00 174.74 173.84 1rxc s VAL 153 N -0.81 1.71 -0.71 -0.90 1.01 -1.26 -0.95 120.40 118.49 1rxc s VAL 153 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1rxc s VAL 153 Cb -0.08 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1rxc s VAL 153 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1rxc n GLY 154 N 4.47 -0.64 3.83 4.51 0.00 -0.66 -4.96 105.19 111.73 1rxc n GLY 154 Ca -0.19 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1rxc n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 155 N -3.41 4.80 -0.05 1.61 1.01 -1.26 -1.17 120.40 121.92 1rxc s VAL 155 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.00 1rxc s VAL 155 Cb 0.00 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1rxc s VAL 155 CO 0.00 0.34 -0.18 -0.89 0.00 0.00 0.00 175.10 174.37 1rxc s THR 156 N -1.35 1.54 -0.20 3.92 2.01 -0.79 -1.38 115.64 119.39 1rxc s THR 156 Ca 0.35 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.35 1rxc s THR 156 Cb -0.16 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1rxc s THR 156 CO 0.19 0.44 0.79 0.00 -0.69 0.00 0.00 174.62 175.35 1rxc s ALA 157 N 0.14 3.57 -0.35 7.40 0.00 0.47 -0.26 121.76 132.73 1rxc s ALA 157 Ca -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1rxc s ALA 157 Cb -0.13 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1rxc s ALA 157 CO 0.03 -0.73 0.11 0.45 0.00 0.00 0.00 175.76 175.62 1rxc s SER 158 N 1.24 5.18 -0.09 0.00 0.15 -0.72 -1.58 113.70 117.87 1rxc s SER 158 Ca 0.35 -1.50 -0.01 0.00 0.70 0.00 0.00 55.95 55.49 1rxc s SER 158 Cb -0.16 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 1rxc s SER 158 CO 0.10 -0.39 -0.03 -0.55 1.20 0.00 0.00 173.24 173.57 1rxc s SER 159 N 1.55 4.99 0.00 5.45 0.15 0.40 -1.35 113.70 124.90 1rxc s SER 159 Ca 0.01 0.05 0.15 0.00 0.70 0.00 0.00 55.95 56.86 1rxc s SER 159 Cb -0.21 -1.42 0.67 0.00 -1.71 0.00 0.00 66.02 63.35 1rxc s SER 159 CO -0.01 0.34 1.47 0.47 1.20 0.00 0.00 173.24 176.72 1rxc n ASP 160 N 2.36 0.00 -4.32 5.45 9.92 -0.81 -4.31 116.55 124.85 1rxc n ASP 160 Ca -0.18 0.42 -0.18 0.00 -0.53 0.00 0.00 54.79 54.31 1rxc n ASP 160 Cb 0.53 -0.46 -0.10 0.00 -0.64 0.00 0.00 41.12 40.45 1rxc n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1rxc s THR 161 N -2.92 1.63 0.06 -3.53 -4.23 -1.26 -5.01 115.64 100.37 1rxc s THR 161 Ca 0.09 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1rxc s THR 161 Cb 0.10 -1.92 -0.27 0.00 1.34 0.00 0.00 72.50 71.75 1rxc s THR 161 CO 0.27 -0.55 1.06 0.15 -0.54 0.00 0.00 174.62 175.01 1rxc h PHE 162 N 2.82 0.43 0.00 3.99 3.57 -1.97 -3.39 116.94 122.39 1rxc h PHE 162 Ca -0.39 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 60.80 1rxc h PHE 162 Cb 1.21 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1rxc h PHE 162 CO 0.70 1.28 0.00 0.66 -2.23 0.00 0.00 178.31 178.71 1rxc n TYR 163 N -3.48 0.00 0.04 0.41 4.01 -1.26 -4.28 117.16 112.60 1rxc n TYR 163 Ca -0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.62 1rxc n TYR 163 Cb 1.02 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.31 1rxc n TYR 163 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1rxc h PRO 164 N 0.00 0.41 0.00 -0.72 0.13 -1.88 -1.38 132.00 128.56 1rxc h PRO 164 Ca 0.00 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1rxc h PRO 164 Cb 0.00 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1rxc h PRO 164 CO 0.00 0.60 -0.04 0.78 -0.23 0.00 0.00 178.00 179.11 1rxc h GLY 165 N 0.96 0.00 -2.69 1.56 0.00 -1.86 -0.59 103.07 100.46 1rxc h GLY 165 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1rxc h GLY 165 CO 0.04 0.00 0.04 -1.06 0.00 0.00 0.00 176.54 175.56 1rxc n GLN 166 N -3.17 3.73 -4.04 4.80 6.02 -0.83 -4.94 117.38 118.96 1rxc n GLN 166 Ca 0.00 -3.03 -0.36 0.00 -0.01 0.00 0.00 57.00 53.60 1rxc n GLN 166 Cb 0.29 -2.07 -0.01 0.00 1.02 0.00 0.00 30.24 29.48 1rxc n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxc n GLU 167 N -0.07 -1.15 -3.54 -1.09 2.13 -0.23 -4.94 120.64 111.74 1rxc n GLU 167 Ca 0.28 0.21 -0.36 0.00 0.66 0.00 0.00 57.16 57.94 1rxc n GLU 167 Cb 1.10 -3.45 -0.07 0.00 0.27 0.00 0.00 31.44 29.29 1rxc n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxc s ARG 168 N -6.99 4.23 -0.02 5.31 0.52 -0.58 -4.98 118.95 116.44 1rxc s ARG 168 Ca 0.29 0.10 0.14 0.00 -0.52 0.00 0.00 55.73 55.74 1rxc s ARG 168 Cb -0.14 -3.42 -0.20 0.00 0.52 0.00 0.00 34.95 31.72 1rxc s ARG 168 CO 0.94 0.26 0.36 0.66 0.02 0.00 0.00 175.30 177.54 1rxc n TYR 169 N 3.50 0.00 -2.30 -0.53 4.01 -1.26 -4.41 117.16 116.16 1rxc n TYR 169 Ca -0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.21 1rxc n TYR 169 Cb 0.52 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 1rxc n TYR 169 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rxc n ASP 170 N -1.85 4.45 -3.88 7.72 4.64 -1.26 -4.02 116.55 122.35 1rxc n ASP 170 Ca -0.02 -2.87 -0.14 0.00 -1.38 0.00 0.00 54.79 50.38 1rxc n ASP 170 Cb 0.33 -1.71 -0.09 0.00 -1.04 0.00 0.00 41.12 38.61 1rxc n ASP 170 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1rxc s THR 171 N 4.71 0.00 0.19 5.18 -4.23 -1.26 -4.99 115.64 115.23 1rxc s THR 171 Ca 0.54 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 58.92 1rxc s THR 171 Cb 0.06 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.56 1rxc s THR 171 CO 0.05 0.00 1.63 0.22 -0.54 0.00 0.00 174.62 175.98 1rxc h TYR 172 N 2.43 -0.43 0.02 3.99 3.20 -1.99 -2.96 116.97 121.22 1rxc h TYR 172 Ca -0.32 0.05 -0.26 0.00 3.14 0.00 0.00 58.73 61.34 1rxc h TYR 172 Cb 1.24 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 1rxc h TYR 172 CO 0.83 -0.27 -1.41 0.66 -1.64 0.00 0.00 178.16 176.33 1rxc h SER 173 N -0.07 0.05 -0.21 -2.11 4.64 -1.97 -3.48 113.55 110.40 1rxc h SER 173 Ca 0.24 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1rxc h SER 173 Cb 0.43 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 1rxc h SER 173 CO -0.55 1.07 -0.08 0.61 -0.87 0.00 0.00 176.83 177.00 1rxc n GLY 174 N 1.49 0.67 3.30 -0.77 0.00 -1.12 -5.01 105.19 103.75 1rxc n GLY 174 Ca -0.10 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1rxc n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxc s ARG 175 N -1.80 1.24 -0.06 1.61 1.70 -1.26 -4.87 118.95 115.50 1rxc s ARG 175 Ca 0.00 -1.60 0.02 0.00 -0.47 0.00 0.00 55.73 53.68 1rxc s ARG 175 Cb 0.00 -0.60 0.02 0.00 -0.57 0.00 0.00 34.95 33.79 1rxc s ARG 175 CO 0.00 -0.04 -0.10 0.08 -1.08 0.00 0.00 175.30 174.16 1rxc s VAL 176 N -3.40 0.98 0.51 4.99 1.01 -1.26 -4.92 120.40 118.30 1rxc s VAL 176 Ca 0.25 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 1rxc s VAL 176 Cb 0.05 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 1rxc s VAL 176 CO 0.06 0.32 0.70 0.55 0.00 0.00 0.00 175.10 176.73 1rxc n VAL 177 N 3.89 2.42 -0.30 2.92 3.14 -1.26 -4.52 118.33 124.63 1rxc n VAL 177 Ca -0.23 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 60.72 1rxc n VAL 177 Cb 0.51 -0.83 0.28 0.00 -1.06 0.00 0.00 33.84 32.75 1rxc n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1rxc h ARG 178 N 0.68 0.89 -1.02 1.45 2.43 -2.00 -1.21 114.38 115.59 1rxc h ARG 178 Ca -0.45 -0.05 0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1rxc h ARG 178 Cb 1.38 -0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 30.61 1rxc h ARG 178 CO 0.51 0.59 0.62 1.25 -1.51 0.00 0.00 179.97 181.42 1rxc h HIS 179 N 0.92 0.91 -0.01 2.20 2.76 -2.02 -2.65 115.15 117.25 1rxc h HIS 179 Ca 0.42 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1rxc h HIS 179 Cb 0.40 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1rxc h HIS 179 CO -0.00 0.06 -0.49 1.19 -1.30 0.00 0.00 177.93 177.39 1rxc n PHE 180 N -4.81 0.00 -1.80 5.26 3.01 -0.50 -4.79 117.46 113.83 1rxc n PHE 180 Ca 0.27 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.31 1rxc n PHE 180 Cb 0.79 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.23 1rxc n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1rxc s LYS 181 N -2.27 4.16 -0.13 -1.08 1.02 -0.96 -2.13 119.74 118.35 1rxc s LYS 181 Ca 0.14 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1rxc s LYS 181 Cb 0.15 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1rxc s LYS 181 CO 0.53 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1rxc n GLY 182 N 4.11 0.39 0.16 -3.33 0.00 -1.26 -4.93 105.19 100.32 1rxc n GLY 182 Ca 0.17 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1rxc n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxc h SER 183 N 0.00 0.73 -0.86 1.61 4.64 -1.74 -3.10 113.55 114.84 1rxc h SER 183 Ca -0.03 -0.69 0.10 0.00 -0.47 0.00 0.00 61.79 60.70 1rxc h SER 183 Cb 0.46 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 62.24 1rxc h SER 183 CO 0.04 1.51 0.51 -0.03 -0.87 0.00 0.00 176.83 177.98 1rxc h MET 184 N 0.22 0.82 -0.75 4.77 -1.53 -1.92 -1.85 114.93 114.67 1rxc h MET 184 Ca -0.17 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.05 1rxc h MET 184 Cb 1.90 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 32.73 1rxc h MET 184 CO 0.22 0.54 0.48 1.49 0.14 0.00 0.00 176.91 179.78 1rxc h GLU 185 N 0.84 1.01 -0.60 0.39 4.81 -1.95 -0.27 114.58 118.80 1rxc h GLU 185 Ca 0.42 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 1rxc h GLU 185 Cb 0.38 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1rxc h GLU 185 CO -0.25 0.69 -0.01 0.93 -0.73 0.00 0.00 179.01 179.64 1rxc h GLU 186 N 1.03 1.07 -0.28 1.92 4.39 -1.32 -1.87 114.58 119.51 1rxc h GLU 186 Ca 0.27 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1rxc h GLU 186 Cb -0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1rxc h GLU 186 CO -0.06 1.04 -0.40 -1.49 -1.16 0.00 0.00 179.01 176.94 1rxc h TRP 187 N 0.97 0.80 -0.37 4.33 -0.00 -0.99 -2.15 115.95 118.55 1rxc h TRP 187 Ca 0.17 -0.24 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 1rxc h TRP 187 Cb 0.57 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.53 1rxc h TRP 187 CO 0.04 0.97 0.23 1.96 -0.00 0.00 0.00 178.44 181.63 1rxc h GLN 188 N 0.55 0.45 0.00 0.49 4.20 -0.89 -1.34 115.11 118.57 1rxc h GLN 188 Ca 0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1rxc h GLN 188 Cb 0.93 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1rxc h GLN 188 CO 0.08 0.30 -0.30 0.00 -0.67 0.00 0.00 178.83 178.25 1rxc h ALA 189 N 1.16 1.32 -0.06 3.87 0.00 -1.22 -2.18 119.26 122.15 1rxc h ALA 189 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rxc h ALA 189 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rxc h ALA 189 CO -0.06 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 178.23 1rxc n MET 190 N -3.90 1.36 -0.86 0.00 2.81 -0.82 -4.91 117.12 110.79 1rxc n MET 190 Ca -0.02 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 1rxc n MET 190 Cb 0.37 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1rxc n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxc n GLY 191 N 0.99 0.52 3.72 3.03 0.00 -0.82 -5.01 105.19 107.62 1rxc n GLY 191 Ca 0.17 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1rxc n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 192 N -2.00 2.97 0.11 1.61 1.01 -0.55 -4.59 120.40 118.96 1rxc s VAL 192 Ca 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1rxc s VAL 192 Cb 0.00 -3.44 -0.21 0.00 0.00 0.00 0.00 36.38 32.72 1rxc s VAL 192 CO 0.00 0.05 1.25 0.24 0.00 0.00 0.00 175.10 176.64 1rxc h MET 193 N 6.85 0.48 -2.53 2.72 0.00 -1.55 -3.42 114.93 117.48 1rxc h MET 193 Ca -0.42 -0.55 0.12 0.00 0.00 0.00 0.00 59.70 58.84 1rxc h MET 193 Cb 1.21 0.16 -0.10 0.00 0.00 0.00 0.00 31.60 32.88 1rxc h MET 193 CO 0.89 1.19 0.41 0.54 0.00 0.00 0.00 176.91 179.94 1rxc s ASN 194 N -7.17 -0.28 -0.06 1.22 4.22 -1.26 -1.30 114.94 110.31 1rxc s ASN 194 Ca -0.07 -0.31 0.01 0.00 -2.14 0.00 0.00 52.86 50.36 1rxc s ASN 194 Cb 0.08 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 43.10 1rxc s ASN 194 CO 0.89 -0.93 -0.08 -0.31 -2.04 0.00 0.00 177.10 174.63 1rxc s TYR 195 N -3.43 2.90 0.00 1.54 2.02 -0.22 -0.39 117.35 119.78 1rxc s TYR 195 Ca 0.09 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1rxc s TYR 195 Cb -0.02 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1rxc s TYR 195 CO -0.01 0.32 0.00 -0.85 -1.57 0.00 0.00 175.55 173.44 1rxc n GLU 196 N 2.16 0.00 0.00 -0.62 -0.00 -0.62 -2.15 120.64 119.41 1rxc n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1rxc n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxc n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxc n MET 197 N 0.00 3.51 -0.00 3.44 2.81 -1.26 -0.45 117.12 125.17 1rxc n MET 197 Ca 0.00 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1rxc n MET 197 Cb 0.00 -0.34 -0.00 0.00 -0.71 0.00 0.00 33.22 32.17 1rxc n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxc n GLU 198 N -0.51 1.27 -0.08 0.03 4.71 -1.26 -3.71 120.64 121.08 1rxc n GLU 198 Ca 0.00 -0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.07 1rxc n GLU 198 Cb 0.01 -0.92 0.10 0.00 -1.01 0.00 0.00 31.44 29.62 1rxc n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxc h SER 199 N 0.00 0.78 -0.20 1.62 4.64 -1.94 -1.51 113.55 116.94 1rxc h SER 199 Ca 0.00 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1rxc h SER 199 Cb 0.01 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1rxc h SER 199 CO 0.00 0.97 0.12 0.00 -0.87 0.00 0.00 176.83 177.05 1rxc h ALA 200 N 1.09 0.26 0.40 5.18 0.00 -1.88 0.97 119.26 125.28 1rxc h ALA 200 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rxc h ALA 200 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rxc h ALA 200 CO 0.06 -0.22 -0.20 1.15 0.00 0.00 0.00 179.25 180.03 1rxc h THR 201 N 0.24 0.58 -0.10 0.00 2.02 -1.85 -1.87 112.91 111.93 1rxc h THR 201 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1rxc h THR 201 Cb 0.04 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1rxc h THR 201 CO -0.01 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.10 1rxc h LEU 202 N -0.56 -0.09 -0.81 2.58 5.85 -1.11 -1.72 115.31 119.46 1rxc h LEU 202 Ca -0.05 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1rxc h LEU 202 Cb 0.43 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1rxc h LEU 202 CO 0.08 -0.03 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.62 1rxc h LEU 203 N 0.00 0.33 -0.01 2.25 3.38 -0.83 -2.02 115.31 118.41 1rxc h LEU 203 Ca 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1rxc h LEU 203 Cb 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1rxc h LEU 203 CO -0.10 0.75 -0.07 0.74 0.09 0.00 0.00 178.44 179.85 1rxc h THR 204 N 0.25 1.55 -0.46 0.22 2.02 -1.21 -2.10 112.91 113.17 1rxc h THR 204 Ca 0.02 -1.71 -0.06 0.00 0.77 0.00 0.00 66.41 65.43 1rxc h THR 204 Cb 0.92 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.98 1rxc h THR 204 CO 0.08 0.45 0.06 0.00 0.37 0.00 0.00 175.52 176.48 1rxc h MET 205 N -0.62 0.73 -0.05 6.66 -0.00 -1.34 -0.64 114.93 119.66 1rxc h MET 205 Ca -0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 59.70 59.51 1rxc h MET 205 Cb 0.78 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.28 1rxc h MET 205 CO 0.01 0.70 -0.08 0.00 -0.00 0.00 0.00 176.91 177.54 1rxc h ALA 207 N 0.49 1.35 -0.00 0.00 0.00 -1.29 -0.55 119.26 119.26 1rxc h ALA 207 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rxc h ALA 207 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rxc h ALA 207 CO 0.02 0.25 -0.19 -1.13 0.00 0.00 0.00 179.25 178.20 1rxc n SER 208 N -3.84 0.23 -0.06 0.00 3.41 -0.26 -3.96 113.62 109.15 1rxc n SER 208 Ca -0.02 0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1rxc n SER 208 Cb 0.30 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1rxc n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxc n GLN 209 N -1.44 1.80 -1.09 4.33 6.02 -0.97 -5.01 117.38 121.03 1rxc n GLN 209 Ca 0.07 -1.52 -0.03 0.00 -0.01 0.00 0.00 57.00 55.51 1rxc n GLN 209 Cb 0.33 -0.98 -0.01 0.00 1.02 0.00 0.00 30.24 30.60 1rxc n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 210 N -0.58 0.60 3.85 1.08 0.00 -0.94 -5.02 105.19 104.18 1rxc n GLY 210 Ca 0.04 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1rxc n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 211 N -0.67 4.42 0.02 0.99 1.43 -0.26 -5.04 118.68 119.57 1rxc s LEU 211 Ca 0.00 0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 53.53 1rxc s LEU 211 Cb 0.00 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1rxc s LEU 211 CO 0.00 0.36 0.80 -0.13 0.23 0.00 0.00 176.35 177.61 1rxc s ARG 212 N -0.98 4.51 0.02 1.70 0.52 -0.54 -3.78 118.95 120.41 1rxc s ARG 212 Ca 0.19 1.12 0.01 0.00 -0.52 0.00 0.00 55.73 56.52 1rxc s ARG 212 Cb -0.14 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1rxc s ARG 212 CO 0.08 0.17 -0.04 0.00 0.02 0.00 0.00 175.30 175.53 1rxc s ALA 213 N 0.34 0.27 0.06 2.13 0.00 -1.26 -0.92 121.76 122.38 1rxc s ALA 213 Ca 0.41 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1rxc s ALA 213 Cb -0.20 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1rxc s ALA 213 CO 0.23 -0.06 -0.05 0.20 0.00 0.00 0.00 175.76 176.08 1rxc s GLY 214 N -1.12 0.55 -0.08 0.00 0.00 -0.59 -1.10 107.32 104.98 1rxc s GLY 214 Ca -0.10 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 1rxc s GLY 214 CO -0.00 -1.19 0.10 -0.29 0.00 0.00 0.00 173.10 171.72 1rxc s MET 215 N -3.14 -0.01 0.12 2.90 1.75 -1.26 -1.23 119.30 118.43 1rxc s MET 215 Ca 0.03 0.34 0.07 0.00 -1.25 0.00 0.00 55.69 54.87 1rxc s MET 215 Cb 0.01 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 36.93 1rxc s MET 215 CO -0.05 -0.40 -0.16 0.54 -0.65 0.00 0.00 175.02 174.30 1rxc s VAL 216 N 2.20 1.46 -0.13 10.11 0.11 -0.61 -1.70 120.40 131.84 1rxc s VAL 216 Ca 0.04 -1.70 -0.26 0.00 -2.93 0.00 0.00 61.98 57.13 1rxc s VAL 216 Cb -0.13 -1.56 0.06 0.00 -1.53 0.00 0.00 36.38 33.23 1rxc s VAL 216 CO -0.05 -0.33 0.64 0.00 -3.33 0.00 0.00 175.10 172.03 1rxc s ALA 217 N -1.92 -1.63 0.04 1.54 0.00 -0.72 -1.72 121.76 117.34 1rxc s ALA 217 Ca 0.09 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.35 1rxc s ALA 217 Cb -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1rxc s ALA 217 CO 0.04 -0.34 0.50 0.20 0.00 0.00 0.00 175.76 176.16 1rxc s GLY 218 N -0.53 2.59 -0.15 0.00 0.00 -0.09 -1.50 107.32 107.64 1rxc s GLY 218 Ca -0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 1rxc s GLY 218 CO 0.06 0.33 0.72 0.14 0.00 0.00 0.00 173.10 174.34 1rxc s VAL 219 N -1.08 4.98 -0.33 1.40 1.01 -0.80 -1.35 120.40 124.22 1rxc s VAL 219 Ca 0.27 1.42 0.06 0.00 0.00 0.00 0.00 61.98 63.72 1rxc s VAL 219 Cb -0.18 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1rxc s VAL 219 CO 0.17 0.13 0.30 2.30 0.00 0.00 0.00 175.10 177.99 1rxc n ILE 220 N 4.42 0.00 -3.60 2.22 -5.35 -0.75 -1.29 119.36 115.01 1rxc n ILE 220 Ca 0.01 -0.39 -0.16 0.00 -0.27 0.00 0.00 62.75 61.94 1rxc n ILE 220 Cb 0.50 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 1rxc n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxc s VAL 221 N -1.39 0.01 -0.27 7.28 0.11 -1.25 -4.33 120.40 120.57 1rxc s VAL 221 Ca 0.03 -0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1rxc s VAL 221 Cb 0.04 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1rxc s VAL 221 CO 0.21 -0.06 0.02 0.21 -3.33 0.00 0.00 175.10 172.15 1rxc s ASN 222 N -1.03 4.78 0.11 3.54 3.84 -1.26 -1.22 114.94 123.70 1rxc s ASN 222 Ca -0.10 -0.65 0.21 0.00 0.21 0.00 0.00 52.86 52.53 1rxc s ASN 222 Cb -0.02 -1.81 0.85 0.00 -0.55 0.00 0.00 41.25 39.72 1rxc s ASN 222 CO 0.07 -0.13 1.64 0.54 -2.79 0.00 0.00 177.10 176.44 1rxc n ARG 223 N 4.81 0.10 0.14 0.43 5.12 0.10 -2.19 116.66 125.17 1rxc n ARG 223 Ca -0.16 0.27 0.12 0.00 -1.93 0.00 0.00 57.85 56.16 1rxc n ARG 223 Cb 0.49 -1.66 0.50 0.00 -1.16 0.00 0.00 32.46 30.62 1rxc n ARG 223 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1rxc h THR 224 N 0.00 0.00 0.00 0.55 1.35 -1.83 -3.36 112.91 109.62 1rxc h THR 224 Ca 0.00 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 65.55 1rxc h THR 224 Cb 0.37 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1rxc h THR 224 CO 0.00 0.00 -1.17 0.00 -0.25 0.00 0.00 175.52 174.10 1rxc n GLN 225 N -2.30 0.95 -3.73 4.72 1.13 -0.97 -5.10 117.38 112.08 1rxc n GLN 225 Ca 0.02 0.01 -0.11 0.00 -1.94 0.00 0.00 57.00 54.98 1rxc n GLN 225 Cb 0.25 -1.06 -0.07 0.00 0.11 0.00 0.00 30.24 29.47 1rxc n GLN 225 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1rxc s GLN 226 N -2.06 0.86 -0.04 -1.09 -2.07 -0.93 -5.07 119.66 109.25 1rxc s GLN 226 Ca -0.03 -0.54 -0.21 0.00 -1.82 0.00 0.00 55.36 52.75 1rxc s GLN 226 Cb 0.01 0.37 -0.32 0.00 -1.09 0.00 0.00 33.01 31.99 1rxc s GLN 226 CO 0.08 -0.29 0.90 0.93 -1.32 0.00 0.00 175.29 175.59 1rxc h GLU 227 N 3.05 0.32 -5.25 9.60 5.08 -1.87 -3.33 114.58 122.17 1rxc h GLU 227 Ca -0.32 -0.54 -0.63 0.00 -1.00 0.00 0.00 59.36 56.87 1rxc h GLU 227 Cb 1.21 0.20 -0.18 0.00 0.50 0.00 0.00 28.75 30.48 1rxc h GLU 227 CO 0.47 1.26 -0.60 0.42 -1.00 0.00 0.00 179.01 179.56 1rxc s ILE 228 N -2.44 4.48 0.61 3.13 -1.09 -1.26 -4.99 121.20 119.65 1rxc s ILE 228 Ca -0.13 -0.14 -0.19 0.00 -2.23 0.00 0.00 60.65 57.95 1rxc s ILE 228 Cb 0.01 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1rxc s ILE 228 CO 0.84 0.46 1.30 -2.84 -1.23 0.00 0.00 174.94 173.47 1rxc s PRO 229 N 0.50 2.75 0.73 2.79 0.02 -1.26 -5.02 135.00 135.52 1rxc s PRO 229 Ca 0.01 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 1rxc s PRO 229 Cb -0.13 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.46 1rxc s PRO 229 CO 0.01 -1.45 1.11 -0.80 -0.33 0.00 0.00 177.00 175.55 1rxc s ASN 230 N -1.31 5.23 -0.10 2.53 0.01 -1.26 -5.05 114.94 114.99 1rxc s ASN 230 Ca 0.79 1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 54.00 1rxc s ASN 230 Cb -0.37 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1rxc s ASN 230 CO 0.41 -1.48 0.15 0.00 -1.51 0.00 0.00 177.10 174.67 1rxc h ALA 231 N -0.75 -0.05 0.00 0.60 0.00 -1.97 -3.41 119.26 113.68 1rxc h ALA 231 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rxc h ALA 231 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1rxc h ALA 231 CO 0.64 -0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.89 1rxc h GLU 232 N -1.01 0.00 -0.20 0.00 9.09 -2.02 -2.93 114.58 117.51 1rxc h GLU 232 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1rxc h GLU 232 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1rxc h GLU 232 CO 0.01 0.00 0.00 -2.37 0.05 0.00 0.00 179.01 176.70 1rxc n THR 233 N -2.99 0.36 0.15 -1.06 5.66 -1.26 -4.51 114.28 110.63 1rxc n THR 233 Ca -0.01 -0.68 0.01 0.00 -3.05 0.00 0.00 64.05 60.31 1rxc n THR 233 Cb 0.16 1.04 0.21 0.00 -1.55 0.00 0.00 70.33 70.19 1rxc n THR 233 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1rxc h MET 234 N 3.19 0.00 -0.19 1.09 2.86 -1.75 -3.25 114.93 116.88 1rxc h MET 234 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1rxc h MET 234 Cb 0.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1rxc h MET 234 CO 0.00 0.56 -0.28 -0.22 1.06 0.00 0.00 176.91 178.03 1rxc h LYS 235 N 0.00 0.37 0.00 1.72 3.11 -1.81 -2.93 116.57 117.04 1rxc h LYS 235 Ca -0.01 -0.14 -0.28 0.00 -2.81 0.00 0.00 60.65 57.42 1rxc h LYS 235 Cb 1.05 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.21 1rxc h LYS 235 CO 0.07 0.62 -1.69 0.00 -2.81 0.00 0.00 179.45 175.64 1rxc n GLN 236 N -4.12 0.63 -0.34 1.90 0.00 -1.24 -3.48 117.38 110.73 1rxc n GLN 236 Ca -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 57.00 57.24 1rxc n GLN 236 Cb 0.41 -1.79 0.09 0.00 0.00 0.00 0.00 30.24 28.95 1rxc n GLN 236 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1rxc h THR 237 N 0.00 1.25 -0.53 -0.39 2.02 -1.60 -2.84 112.91 110.81 1rxc h THR 237 Ca -0.28 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1rxc h THR 237 Cb 1.96 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 1rxc h THR 237 CO 0.07 0.27 0.26 -0.08 0.37 0.00 0.00 175.52 176.40 1rxc h GLU 238 N 1.26 0.48 0.00 6.66 4.81 -1.61 -2.85 114.58 123.33 1rxc h GLU 238 Ca 0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1rxc h GLU 238 Cb -0.05 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1rxc h GLU 238 CO -0.06 0.31 -0.06 1.03 -0.73 0.00 0.00 179.01 179.50 1rxc h SER 239 N 0.49 0.00 0.10 1.04 0.87 -1.54 -2.59 113.55 111.92 1rxc h SER 239 Ca 0.24 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.63 1rxc h SER 239 Cb 0.18 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1rxc h SER 239 CO -0.19 0.06 -0.72 -0.74 -0.53 0.00 0.00 176.83 174.72 1rxc h HIS 240 N 0.00 0.53 0.00 2.24 2.76 -1.35 -3.04 115.15 116.28 1rxc h HIS 240 Ca -0.00 -0.36 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1rxc h HIS 240 Cb 0.42 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1rxc h HIS 240 CO 0.00 1.25 -0.08 0.00 -1.30 0.00 0.00 177.93 177.81 1rxc h ALA 241 N 0.13 0.96 0.03 5.26 0.00 -1.57 -3.15 119.26 120.92 1rxc h ALA 241 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 1rxc h ALA 241 Cb 1.53 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.34 1rxc h ALA 241 CO 0.14 0.00 -1.07 0.28 0.00 0.00 0.00 179.25 178.60 1rxc h VAL 242 N 0.00 1.29 -0.70 0.00 2.07 -1.57 -1.33 116.25 116.01 1rxc h VAL 242 Ca 0.00 -2.29 0.04 0.00 0.82 0.00 0.00 66.70 65.27 1rxc h VAL 242 Cb 0.93 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 1rxc h VAL 242 CO 0.00 0.70 0.43 0.11 0.02 0.00 0.00 177.57 178.83 1rxc h LYS 243 N 0.33 0.79 -0.40 1.57 1.57 -1.60 -2.60 116.57 116.24 1rxc h LYS 243 Ca -0.14 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 1rxc h LYS 243 Cb 1.73 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1rxc h LYS 243 CO 0.21 0.52 -0.34 0.82 -0.57 0.00 0.00 179.45 180.10 1rxc h ILE 244 N 0.82 1.27 0.00 1.86 2.04 -1.50 -2.33 117.51 119.67 1rxc h ILE 244 Ca 0.29 -1.51 -0.13 0.00 1.00 0.00 0.00 64.86 64.52 1rxc h ILE 244 Cb 0.07 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1rxc h ILE 244 CO -0.13 0.51 -0.61 1.62 0.00 0.00 0.00 178.15 179.54 1rxc h VAL 245 N 0.76 1.37 -0.16 1.67 3.04 -1.16 -1.30 116.25 120.47 1rxc h VAL 245 Ca 0.07 -2.14 -0.13 0.00 -1.01 0.00 0.00 66.70 63.49 1rxc h VAL 245 Cb 0.92 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1rxc h VAL 245 CO 0.09 0.60 -0.41 0.58 -1.01 0.00 0.00 177.57 177.41 1rxc h VAL 246 N 0.00 1.35 -0.68 1.51 2.07 -1.42 -2.55 116.25 116.53 1rxc h VAL 246 Ca -0.01 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 1rxc h VAL 246 Cb 1.13 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1rxc h VAL 246 CO 0.08 0.51 0.11 -0.08 0.02 0.00 0.00 177.57 178.21 1rxc h GLU 247 N 0.20 1.12 -0.78 1.57 4.57 -1.29 -2.42 114.58 117.54 1rxc h GLU 247 Ca -0.01 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 1rxc h GLU 247 Cb 1.03 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 1rxc h GLU 247 CO 0.09 1.02 0.40 0.00 -1.18 0.00 0.00 179.01 179.34 1rxc h ALA 248 N 1.05 1.24 -0.98 2.92 0.00 -1.30 -2.14 119.26 120.05 1rxc h ALA 248 Ca 0.21 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1rxc h ALA 248 Cb 0.44 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1rxc h ALA 248 CO 0.01 0.60 0.63 0.00 0.00 0.00 0.00 179.25 180.49 1rxc h ALA 249 N 1.34 1.49 -0.86 0.00 0.00 -1.00 -1.94 119.26 118.29 1rxc h ALA 249 Ca 0.27 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1rxc h ALA 249 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1rxc h ALA 249 CO -0.04 0.33 0.57 0.00 0.00 0.00 0.00 179.25 180.11 1rxc h ARG 250 N 1.06 1.13 0.00 0.00 3.08 -1.02 -2.38 114.38 116.25 1rxc h ARG 250 Ca 0.45 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1rxc h ARG 250 Cb 0.31 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1rxc h ARG 250 CO -0.20 0.75 0.00 0.54 -1.07 0.00 0.00 179.97 179.98 1rxc n ARG 251 N -4.41 0.14 -0.02 0.04 1.74 -0.75 -3.50 116.66 109.90 1rxc n ARG 251 Ca 0.10 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.44 1rxc n ARG 251 Cb 0.03 -1.69 0.08 0.00 -1.02 0.00 0.00 32.46 29.86 1rxc n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxc n LEU 252 N -1.95 2.33 0.00 0.55 4.77 -0.91 -5.05 117.00 116.74 1rxc n LEU 252 Ca 0.05 -1.10 0.09 0.00 -0.03 0.00 0.00 56.01 55.03 1rxc n LEU 252 Cb 0.34 -0.03 0.56 0.00 -2.33 0.00 0.00 43.42 41.96 1rxc n LEU 252 CO 0.26 0.44 0.76 0.18 -1.33 0.00 0.00 177.39 177.70