#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 -3.80 4.04 3.32 -1.59 -3.47 116.42 114.91 1rxc h ASP 5 Ca 0.00 -0.12 -0.44 0.00 0.02 0.00 0.00 57.03 56.49 1rxc h ASP 5 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 1rxc h ASP 5 CO 0.00 0.06 -0.76 0.68 -1.72 0.00 0.00 179.24 177.50 1rxc s VAL 6 N -3.18 1.49 0.19 -1.35 -7.23 -1.21 -5.05 120.40 104.06 1rxc s VAL 6 Ca 0.07 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1rxc s VAL 6 Cb 0.12 -1.71 -0.12 0.00 0.56 0.00 0.00 36.38 35.23 1rxc s VAL 6 CO 0.70 -0.44 1.43 0.15 -0.31 0.00 0.00 175.10 176.62 1rxc h PHE 7 N 3.26 0.05 0.00 2.82 3.04 -1.94 -3.37 116.94 120.80 1rxc h PHE 7 Ca -0.40 -0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.30 1rxc h PHE 7 Cb 1.20 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.67 1rxc h PHE 7 CO 0.67 0.84 -1.84 0.72 -2.02 0.00 0.00 178.31 176.67 1rxc n HIS 8 N -3.59 0.00 0.72 0.41 8.25 -1.26 -4.75 115.22 115.00 1rxc n HIS 8 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1rxc n HIS 8 Cb 0.78 -0.57 0.28 0.00 1.12 0.00 0.00 29.99 31.60 1rxc n HIS 8 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1rxc n LEU 9 N -2.89 0.60 -3.07 2.41 4.77 -1.26 -4.80 117.00 112.76 1rxc n LEU 9 Ca -0.26 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1rxc n LEU 9 Cb 0.79 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1rxc n LEU 9 CO 0.16 -0.03 0.09 0.61 -1.33 0.00 0.00 177.39 176.88 1rxc n GLY 10 N 1.39 -0.33 2.95 -0.72 0.00 -1.26 -4.70 105.19 102.51 1rxc n GLY 10 Ca 0.05 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.65 2.09 0.35 0.99 1.43 -1.26 -4.80 118.68 111.83 1rxc s LEU 11 Ca 0.05 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1rxc s LEU 11 Cb -0.01 -0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 1rxc s LEU 11 CO 0.63 -0.07 0.30 0.42 0.23 0.00 0.00 176.35 177.85 1rxc s THR 12 N -0.55 3.36 0.30 5.49 -4.23 -1.26 -1.37 115.64 117.37 1rxc s THR 12 Ca -0.04 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1rxc s THR 12 Cb -0.04 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1rxc s THR 12 CO -0.00 -0.15 1.96 0.50 -0.54 0.00 0.00 174.62 176.39 1rxc h LYS 13 N 1.23 1.07 0.00 3.99 3.64 -1.97 -2.47 116.57 122.07 1rxc h LYS 13 Ca -0.44 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1rxc h LYS 13 Cb 1.26 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1rxc h LYS 13 CO 0.59 0.71 -0.18 -0.91 -2.27 0.00 0.00 179.45 177.38 1rxc h ASN 14 N 1.10 0.00 0.11 4.20 2.35 -1.96 -2.69 115.58 118.70 1rxc h ASN 14 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1rxc h ASN 14 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1rxc h ASN 14 CO -0.08 0.18 -0.09 0.44 -1.65 0.00 0.00 177.43 176.24 1rxc h ASP 15 N 0.00 0.00 0.88 5.81 3.32 -1.85 -2.77 116.42 121.82 1rxc h ASP 15 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rxc h ASP 15 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1rxc h ASP 15 CO 0.02 0.09 -0.38 0.18 -1.72 0.00 0.00 179.24 177.43 1rxc n LEU 16 N -4.25 0.53 -3.62 1.55 4.32 -1.01 -4.96 117.00 109.56 1rxc n LEU 16 Ca -0.03 0.27 -0.27 0.00 -0.02 0.00 0.00 56.01 55.96 1rxc n LEU 16 Cb 0.17 -0.28 0.03 0.00 -1.62 0.00 0.00 43.42 41.72 1rxc n LEU 16 CO 0.33 -0.01 0.09 0.00 -1.22 0.00 0.00 177.39 176.58 1rxc n GLN 17 N -1.85 -5.43 -0.75 3.23 6.02 -1.05 -1.58 117.38 115.98 1rxc n GLN 17 Ca 0.05 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1rxc n GLN 17 Cb 0.39 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.10 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 -1.62 0.63 3.76 1.08 0.00 -1.26 -4.78 105.19 103.00 1rxc n GLY 18 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1rxc n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc s ALA 19 N -2.02 3.12 0.00 4.61 0.00 -0.62 -4.95 121.76 121.90 1rxc s ALA 19 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1rxc s ALA 19 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1rxc s ALA 19 CO 0.00 -0.93 0.44 0.25 0.00 0.00 0.00 175.76 175.52 1rxc n THR 20 N -0.24 0.10 -4.32 0.00 -2.24 -1.26 -4.26 114.28 102.06 1rxc n THR 20 Ca 0.06 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.22 1rxc n THR 20 Cb 0.45 1.17 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.68 -0.02 3.22 0.20 -1.26 -0.87 118.68 121.53 1rxc s LEU 21 Ca 0.00 -0.17 0.06 0.00 0.69 0.00 0.00 54.13 54.71 1rxc s LEU 21 Cb 0.00 -0.51 -0.01 0.00 -0.43 0.00 0.00 46.19 45.24 1rxc s LEU 21 CO 0.00 0.03 -0.20 0.00 -0.29 0.00 0.00 176.35 175.89 1rxc s ALA 22 N 0.38 1.67 -0.18 5.97 0.00 -0.09 -2.03 121.76 127.48 1rxc s ALA 22 Ca -0.06 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1rxc s ALA 22 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1rxc s ALA 22 CO 0.01 0.38 0.41 0.42 0.00 0.00 0.00 175.76 176.97 1rxc s ILE 23 N -0.34 5.21 -0.54 0.00 1.01 0.35 -1.07 121.20 125.81 1rxc s ILE 23 Ca 0.05 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.48 1rxc s ILE 23 Cb -0.09 -3.74 0.14 0.00 0.01 0.00 0.00 42.46 38.78 1rxc s ILE 23 CO 0.00 0.28 0.29 0.68 0.00 0.00 0.00 174.94 176.20 1rxc s VAL 24 N 1.05 2.55 0.80 2.92 -7.23 0.11 -1.53 120.40 119.07 1rxc s VAL 24 Ca 0.20 -3.42 -0.12 0.00 -1.81 0.00 0.00 61.98 56.84 1rxc s VAL 24 Cb -0.15 -2.76 0.07 0.00 0.56 0.00 0.00 36.38 34.11 1rxc s VAL 24 CO 0.08 -0.84 1.11 -2.16 -0.31 0.00 0.00 175.10 172.98 1rxc s PRO 25 N -0.43 2.08 -0.03 4.82 0.04 -1.24 -3.48 135.00 136.76 1rxc s PRO 25 Ca 0.18 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1rxc s PRO 25 Cb -0.23 -1.93 -0.26 0.00 0.04 0.00 0.00 34.50 32.13 1rxc s PRO 25 CO -0.02 -1.59 0.73 0.78 0.04 0.00 0.00 177.00 176.94 1rxc h GLY 26 N -1.06 0.20 -6.54 0.56 0.00 -1.82 -0.41 103.07 94.00 1rxc h GLY 26 Ca -0.47 -0.51 -0.61 0.00 0.00 0.00 0.00 47.33 45.74 1rxc h GLY 26 CO 0.61 0.44 0.30 -0.35 0.00 0.00 0.00 176.54 177.55 1rxc s ASP 27 N -6.74 6.57 0.54 0.19 3.68 -1.26 -1.83 116.67 117.81 1rxc s ASP 27 Ca -0.10 0.47 0.25 0.00 2.13 0.00 0.00 52.55 55.30 1rxc s ASP 27 Cb 0.07 -2.38 1.41 0.00 -1.45 0.00 0.00 42.92 40.57 1rxc s ASP 27 CO 0.83 -0.61 2.01 1.55 0.13 0.00 0.00 175.17 179.08 1rxc h PRO 28 N 8.27 0.00 0.00 4.34 0.13 -1.89 -0.36 132.00 142.49 1rxc h PRO 28 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1rxc h PRO 28 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1rxc h PRO 28 CO 0.87 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.20 1rxc h ASP 29 N 0.00 0.00 1.50 1.44 3.32 -1.96 -2.84 116.42 117.88 1rxc h ASP 29 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1rxc h ASP 29 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1rxc h ASP 29 CO -0.00 0.00 0.00 -0.09 -1.72 0.00 0.00 179.24 177.43 1rxc h ARG 30 N 0.00 0.00 -0.27 3.56 2.43 -1.47 -3.37 114.38 115.26 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 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1rxc h ARG 30 CO 0.00 0.00 0.09 0.28 -1.51 0.00 0.00 179.97 178.83 1rxc h VAL 31 N 0.00 1.19 -0.54 0.20 2.07 -1.59 -1.79 116.25 115.79 1rxc h VAL 31 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1rxc h VAL 31 Cb 0.75 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1rxc h VAL 31 CO 0.00 0.20 0.35 -0.08 0.02 0.00 0.00 177.57 178.06 1rxc h GLU 32 N 0.28 0.71 -0.19 1.57 4.81 -1.78 -1.39 114.58 118.59 1rxc h GLU 32 Ca 0.09 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1rxc h GLU 32 Cb 0.22 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1rxc h GLU 32 CO -0.00 0.48 -0.25 0.87 -0.73 0.00 0.00 179.01 179.38 1rxc h LYS 33 N 0.73 -0.27 -0.54 1.92 6.56 -1.64 -1.07 116.57 122.25 1rxc h LYS 33 Ca 0.20 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.79 1rxc h LYS 33 Cb -0.07 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 1rxc h LYS 33 CO -0.04 -0.18 0.28 0.82 -2.06 0.00 0.00 179.45 178.27 1rxc h ILE 34 N -0.28 1.19 0.00 1.86 2.04 -1.18 -2.81 117.51 118.33 1rxc h ILE 34 Ca 0.12 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1rxc h ILE 34 Cb 0.46 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1rxc h ILE 34 CO -0.36 0.21 -0.22 0.00 0.00 0.00 0.00 178.15 177.79 1rxc h ALA 35 N 1.11 1.26 0.00 1.87 0.00 -0.92 -2.97 119.26 119.62 1rxc h ALA 35 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxc h ALA 35 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rxc h ALA 35 CO -0.03 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1rxc h ALA 36 N 1.78 1.00 0.00 0.00 0.00 -0.93 -2.41 119.26 118.71 1rxc h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rxc h ALA 36 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rxc h ALA 36 CO 0.03 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.21 1rxc h LEU 37 N 0.00 0.00 0.00 0.00 3.38 -1.57 -3.47 115.31 113.65 1rxc h LEU 37 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1rxc h LEU 37 Cb 0.63 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.43 1rxc h LEU 37 CO 0.00 0.00 0.01 0.23 0.09 0.00 0.00 178.44 178.77 1rxc n MET 38 N -2.68 0.34 -3.37 1.13 2.81 -0.91 -5.10 117.12 109.35 1rxc n MET 38 Ca 0.04 -2.83 -0.38 0.00 -1.81 0.00 0.00 57.70 52.71 1rxc n MET 38 Cb 0.42 -0.39 -0.06 0.00 -0.71 0.00 0.00 33.22 32.47 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 -4.62 6.93 -1.22 7.83 -0.00 0.37 -4.60 116.67 121.37 1rxc s ASP 39 Ca 0.60 1.11 -0.19 0.00 -0.00 0.00 0.00 52.55 54.07 1rxc s ASP 39 Cb -0.04 -2.31 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 1rxc s ASP 39 CO 0.39 0.27 0.68 0.29 -0.00 0.00 0.00 175.17 176.80 1rxc n LYS 40 N 1.91 -1.43 -2.36 8.23 5.02 -1.26 -0.21 118.16 128.07 1rxc n LYS 40 Ca -0.12 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.18 1rxc n LYS 40 Cb 0.51 -3.86 -0.01 0.00 -0.02 0.00 0.00 35.03 31.65 1rxc n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxc s PRO 41 N -6.43 3.59 -0.15 1.97 0.04 -1.26 -4.52 135.00 128.23 1rxc s PRO 41 Ca 0.37 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 1rxc s PRO 41 Cb -0.15 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1rxc s PRO 41 CO 0.89 -0.64 0.34 0.08 0.04 0.00 0.00 177.00 177.71 1rxc s VAL 42 N -1.80 -0.21 0.20 -0.36 1.01 -0.36 -4.99 120.40 113.90 1rxc s VAL 42 Ca 0.69 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1rxc s VAL 42 Cb -0.22 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 1rxc s VAL 42 CO 0.26 0.06 1.20 -0.75 0.00 0.00 0.00 175.10 175.87 1rxc s LYS 43 N 1.76 4.50 -0.20 2.72 2.20 -1.26 -1.16 119.74 128.30 1rxc s LYS 43 Ca -0.06 1.88 -0.13 0.00 -0.36 0.00 0.00 55.97 57.31 1rxc s LYS 43 Cb -0.10 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 1rxc s LYS 43 CO -0.11 -0.07 -0.29 1.28 -0.36 0.00 0.00 175.35 175.80 1rxc n LEU 44 N 2.34 1.67 -3.54 5.43 4.77 0.26 -4.92 117.00 123.01 1rxc n LEU 44 Ca 0.04 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1rxc n LEU 44 Cb 0.44 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1rxc n LEU 44 CO 0.56 0.24 0.47 0.00 -1.33 0.00 0.00 177.39 177.32 1rxc s ALA 45 N -2.52 -1.55 -0.16 -1.18 0.00 -1.01 -5.01 121.76 110.33 1rxc s ALA 45 Ca -0.30 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1rxc s ALA 45 Cb 0.10 0.81 0.08 0.00 0.00 0.00 0.00 23.12 24.10 1rxc s ALA 45 CO 0.39 -0.83 0.33 0.45 0.00 0.00 0.00 175.76 176.10 1rxc s SER 46 N -2.76 0.10 -0.19 0.00 0.15 -1.26 -1.02 113.70 108.72 1rxc s SER 46 Ca 0.04 0.75 -0.07 0.00 0.70 0.00 0.00 55.95 57.37 1rxc s SER 46 Cb -0.02 0.99 0.08 0.00 -1.71 0.00 0.00 66.02 65.36 1rxc s SER 46 CO -0.08 -0.24 0.41 -1.00 1.20 0.00 0.00 173.24 173.53 1rxc s HIS 47 N 2.51 -0.74 0.00 3.44 3.76 -0.74 -5.01 115.29 118.51 1rxc s HIS 47 Ca 0.00 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 1rxc s HIS 47 Cb -0.12 0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.85 1rxc s HIS 47 CO -0.11 -0.45 0.00 0.54 -0.85 0.00 0.00 174.74 173.88 1rxc n ARG 48 N 5.17 0.00 -0.00 1.40 1.74 -1.26 -1.34 116.66 122.37 1rxc n ARG 48 Ca -0.11 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1rxc n ARG 48 Cb 0.51 0.00 0.57 0.00 -1.02 0.00 0.00 32.46 32.51 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 1.03 -3.33 5.56 0.00 -1.26 -4.72 120.64 131.92 1rxc n GLU 49 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 57.16 56.65 1rxc n GLU 49 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 31.44 30.09 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 -1.99 3.35 -0.12 -1.84 0.08 -0.45 -3.87 117.98 113.14 1rxc s PHE 50 Ca 0.29 -1.46 -0.03 0.00 0.12 0.00 0.00 56.93 55.84 1rxc s PHE 50 Cb 0.14 -3.78 -0.03 0.00 -0.57 0.00 0.00 43.02 38.78 1rxc s PHE 50 CO 0.23 -1.01 0.01 0.99 -0.10 0.00 0.00 175.22 175.33 1rxc s THR 51 N 1.33 4.32 -0.07 0.64 2.01 -1.26 -1.80 115.64 120.81 1rxc s THR 51 Ca 0.06 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 1rxc s THR 51 Cb -0.26 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.41 1rxc s THR 51 CO 0.01 0.55 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.57 1rxc s THR 52 N -0.35 0.58 0.35 -0.82 2.01 -0.19 -1.38 115.64 115.84 1rxc s THR 52 Ca 0.07 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.10 1rxc s THR 52 Cb -0.12 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1rxc s THR 52 CO 0.02 0.27 0.03 0.26 -0.69 0.00 0.00 174.62 174.51 1rxc s TRP 53 N 1.50 2.56 0.15 4.92 0.52 0.79 -0.57 118.94 128.80 1rxc s TRP 53 Ca -0.02 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 55.73 1rxc s TRP 53 Cb -0.13 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1rxc s TRP 53 CO -0.03 0.44 -0.18 0.50 0.02 0.00 0.00 176.95 177.70 1rxc s ARG 54 N -3.74 1.23 0.06 4.98 3.52 -0.30 -1.27 118.95 123.42 1rxc s ARG 54 Ca 0.35 -1.36 -0.03 0.00 -0.13 0.00 0.00 55.73 54.57 1rxc s ARG 54 Cb 0.01 -1.30 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1rxc s ARG 54 CO 0.20 0.27 0.16 0.00 -0.81 0.00 0.00 175.30 175.11 1rxc n ALA 55 N 0.43 -0.37 -2.60 6.12 0.00 -0.34 -1.22 120.51 122.53 1rxc n ALA 55 Ca -0.14 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 1rxc n ALA 55 Cb 0.57 0.16 -0.15 0.00 0.00 0.00 0.00 19.45 20.02 1rxc n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rxc s GLU 56 N -2.01 1.03 -0.08 0.00 2.02 0.71 -0.80 118.70 119.56 1rxc s GLU 56 Ca 0.03 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 1rxc s GLU 56 Cb -0.01 -1.00 0.03 0.00 0.10 0.00 0.00 34.13 33.25 1rxc s GLU 56 CO 0.02 0.27 -0.03 -0.51 0.02 0.00 0.00 175.26 175.03 1rxc s LEU 57 N -0.37 0.87 -1.34 1.80 1.02 -0.32 -0.48 118.68 119.86 1rxc s LEU 57 Ca 0.05 -0.16 -0.09 0.00 0.02 0.00 0.00 54.13 53.94 1rxc s LEU 57 Cb -0.05 -0.58 0.06 0.00 0.02 0.00 0.00 46.19 45.64 1rxc s LEU 57 CO -0.00 -0.15 0.53 0.47 0.02 0.00 0.00 176.35 177.22 1rxc n ASP 58 N 4.96 -4.14 0.00 2.29 8.00 -1.26 -1.31 116.55 125.09 1rxc n ASP 58 Ca -0.11 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1rxc n ASP 58 Cb 0.50 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 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 -1.25 1.00 3.58 0.44 0.00 -1.26 -5.04 105.19 102.66 1rxc n GLY 59 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.33 2.47 0.25 1.61 1.02 -0.43 -5.07 119.74 119.26 1rxc s LYS 60 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1rxc s LYS 60 Cb 0.00 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1rxc s LYS 60 CO 0.00 0.59 1.09 -1.25 -0.92 0.00 0.00 175.35 174.86 1rxc s PRO 61 N -1.52 4.64 0.03 -1.68 0.04 -1.26 -1.18 135.00 134.07 1rxc s PRO 61 Ca 0.18 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.02 1rxc s PRO 61 Cb -0.11 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1rxc s PRO 61 CO 0.08 0.19 -0.11 0.08 0.04 0.00 0.00 177.00 177.29 1rxc s VAL 62 N -0.92 0.82 -0.07 -0.36 1.01 0.02 -4.47 120.40 116.42 1rxc s VAL 62 Ca 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1rxc s VAL 62 Cb -0.31 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1rxc s VAL 62 CO 0.39 -0.10 -0.06 -0.63 0.00 0.00 0.00 175.10 174.70 1rxc s ILE 63 N -0.90 3.79 -0.15 2.22 -1.09 -0.86 -1.20 121.20 123.01 1rxc s ILE 63 Ca -0.02 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 1rxc s ILE 63 Cb -0.08 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1rxc s ILE 63 CO 0.01 0.59 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.42 1rxc s VAL 64 N -0.76 2.00 -0.05 2.92 1.01 -0.40 -0.50 120.40 124.63 1rxc s VAL 64 Ca 0.12 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1rxc s VAL 64 Cb -0.11 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1rxc s VAL 64 CO 0.02 0.54 0.11 0.00 0.00 0.00 0.00 175.10 175.76 1rxc s SER 66 N 0.95 6.81 -0.00 0.00 1.04 -0.48 -3.65 113.70 118.37 1rxc s SER 66 Ca -0.08 1.30 0.21 0.00 0.48 0.00 0.00 55.95 57.87 1rxc s SER 66 Cb -0.10 -2.38 -0.23 0.00 0.10 0.00 0.00 66.02 63.41 1rxc s SER 66 CO -0.04 -0.18 0.81 0.35 0.98 0.00 0.00 173.24 175.16 1rxc n THR 67 N -0.23 0.01 -2.12 2.02 -2.24 -0.16 -4.36 114.28 107.19 1rxc n THR 67 Ca 0.03 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.75 1rxc n THR 67 Cb 0.53 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.43 -1.85 3.74 3.38 0.00 -0.76 -3.43 105.19 107.71 1rxc n GLY 68 Ca 0.02 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.11 4.90 0.00 -0.61 1.01 -1.26 -4.62 121.20 119.50 1rxc s ILE 69 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1rxc s ILE 69 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1rxc s ILE 69 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1rxc n GLY 70 N 2.64 2.47 0.33 6.18 0.00 -1.26 -4.64 105.19 110.91 1rxc n GLY 70 Ca -0.04 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 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 1.21 0.40 -0.02 0.00 -1.88 -2.24 103.07 100.55 1rxc h GLY 71 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.87 1rxc h GLY 71 CO 0.00 0.49 -0.20 -2.55 0.00 0.00 0.00 176.54 174.27 1rxc h PRO 72 N 1.15 -0.26 0.00 4.80 0.11 -1.95 0.27 132.00 136.11 1rxc h PRO 72 Ca 0.30 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.32 1rxc h PRO 72 Cb -0.05 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1rxc h PRO 72 CO -0.06 -0.17 -0.53 0.66 -0.21 0.00 0.00 178.00 177.69 1rxc h SER 73 N -0.27 0.00 -0.29 -2.05 4.64 -1.80 -2.85 113.55 110.93 1rxc h SER 73 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1rxc h SER 73 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1rxc h SER 73 CO -0.26 0.53 0.13 0.74 -0.87 0.00 0.00 176.83 177.10 1rxc h THR 74 N 0.00 1.16 -0.27 2.95 2.02 -0.99 -2.33 112.91 115.45 1rxc h THR 74 Ca -0.01 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1rxc h THR 74 Cb 1.08 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1rxc h THR 74 CO 0.07 0.17 0.18 0.77 0.37 0.00 0.00 175.52 177.07 1rxc h SER 75 N 0.33 0.31 0.08 4.18 4.64 -0.30 -0.94 113.55 121.84 1rxc h SER 75 Ca 0.10 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1rxc h SER 75 Cb 0.14 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1rxc h SER 75 CO -0.01 0.22 -0.04 0.40 -0.87 0.00 0.00 176.83 176.53 1rxc h ILE 76 N 0.36 1.14 -0.30 0.95 2.04 -1.31 -2.40 117.51 117.99 1rxc h ILE 76 Ca 0.10 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1rxc h ILE 76 Cb -0.04 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1rxc h ILE 76 CO -0.02 0.20 0.10 0.00 0.00 0.00 0.00 178.15 178.42 1rxc h ALA 77 N 0.42 0.34 -0.27 1.87 0.00 -0.84 -1.38 119.26 119.40 1rxc h ALA 77 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1rxc h ALA 77 Cb 0.40 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rxc h ALA 77 CO 0.02 -0.31 0.01 0.28 0.00 0.00 0.00 179.25 179.25 1rxc h VAL 78 N 0.23 1.25 -0.60 0.00 2.07 -1.27 -1.02 116.25 116.91 1rxc h VAL 78 Ca 0.13 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1rxc h VAL 78 Cb 0.11 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1rxc h VAL 78 CO -0.14 0.29 0.39 -0.08 0.02 0.00 0.00 177.57 178.05 1rxc h GLU 79 N 0.27 0.77 -0.00 1.57 4.57 -1.28 -0.21 114.58 120.27 1rxc h GLU 79 Ca 0.08 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 1rxc h GLU 79 Cb 0.41 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1rxc h GLU 79 CO 0.01 0.51 -0.87 0.93 -1.18 0.00 0.00 179.01 178.42 1rxc h GLU 80 N 0.80 0.24 -0.38 1.92 5.08 -1.13 -1.44 114.58 119.67 1rxc h GLU 80 Ca 0.22 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1rxc h GLU 80 Cb -0.07 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rxc h GLU 80 CO -0.06 0.97 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.57 1rxc h LEU 81 N 0.14 0.83 -0.70 1.33 3.38 -1.07 -2.68 115.31 116.54 1rxc h LEU 81 Ca -0.05 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1rxc h LEU 81 Cb 1.49 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1rxc h LEU 81 CO 0.14 1.06 0.22 0.00 0.09 0.00 0.00 178.44 179.94 1rxc h ALA 82 N 1.00 0.91 -0.66 1.53 0.00 -0.87 -1.49 119.26 119.68 1rxc h ALA 82 Ca 0.08 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1rxc h ALA 82 Cb 0.82 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1rxc h ALA 82 CO 0.07 0.59 0.43 1.96 0.00 0.00 0.00 179.25 182.30 1rxc h GLN 83 N 1.02 0.54 -0.01 0.00 4.20 -1.06 -1.75 115.11 118.06 1rxc h GLN 83 Ca 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1rxc h GLN 83 Cb 0.30 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1rxc h GLN 83 CO -0.01 0.36 -0.01 1.28 -0.67 0.00 0.00 178.83 179.78 1rxc n LEU 84 N -4.48 1.16 0.00 1.46 4.32 -0.72 -4.91 117.00 113.83 1rxc n LEU 84 Ca 0.10 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1rxc n LEU 84 Cb 0.31 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1rxc n LEU 84 CO 0.34 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.31 1rxc n GLY 85 N 1.15 0.89 3.72 -0.72 0.00 -0.66 -4.83 105.19 104.74 1rxc n GLY 85 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.91 -0.05 -0.61 -1.09 -0.64 -4.44 121.20 116.27 1rxc s ILE 86 Ca 0.00 1.39 0.02 0.00 -2.23 0.00 0.00 60.65 59.83 1rxc s ILE 86 Cb 0.00 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1rxc s ILE 86 CO 0.00 0.12 0.07 0.54 -1.23 0.00 0.00 174.94 174.44 1rxc n ARG 87 N 3.80 2.80 -4.55 2.79 5.12 -0.05 -4.17 116.66 122.40 1rxc n ARG 87 Ca 0.09 -0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.71 1rxc n ARG 87 Cb 0.46 -0.86 -0.17 0.00 -1.16 0.00 0.00 32.46 30.73 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 -1.74 1.52 -0.11 0.55 2.01 -0.61 -1.15 115.64 116.11 1rxc s THR 88 Ca -0.00 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1rxc s THR 88 Cb 0.02 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.16 1rxc s THR 88 CO 0.10 0.44 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.94 1rxc s PHE 89 N 0.88 2.10 -0.25 4.92 0.08 0.65 -0.91 117.98 125.44 1rxc s PHE 89 Ca -0.09 -1.00 -0.02 0.00 0.12 0.00 0.00 56.93 55.95 1rxc s PHE 89 Cb -0.15 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1rxc s PHE 89 CO 0.00 -0.50 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.06 1rxc s LEU 90 N 0.94 3.22 -0.01 -0.37 1.43 -0.24 -1.15 118.68 122.51 1rxc s LEU 90 Ca -0.07 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 51.94 1rxc s LEU 90 Cb -0.15 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1rxc s LEU 90 CO -0.01 -0.13 0.66 -0.60 0.23 0.00 0.00 176.35 176.49 1rxc s ARG 91 N 1.33 4.39 -0.07 1.70 3.52 -0.42 0.05 118.95 129.45 1rxc s ARG 91 Ca 0.00 0.84 0.04 0.00 -0.13 0.00 0.00 55.73 56.49 1rxc s ARG 91 Cb -0.17 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1rxc s ARG 91 CO -0.04 0.27 -0.21 -1.50 -0.81 0.00 0.00 175.30 173.00 1rxc s ILE 92 N 0.10 2.36 0.31 4.11 -1.16 -1.23 -1.78 121.20 123.91 1rxc s ILE 92 Ca 0.34 -0.95 0.00 0.00 -0.51 0.00 0.00 60.65 59.54 1rxc s ILE 92 Cb -0.19 -1.90 0.00 0.00 0.61 0.00 0.00 42.46 40.99 1rxc s ILE 92 CO 0.19 0.56 0.40 0.61 -2.81 0.00 0.00 174.94 173.89 1rxc n GLY 93 N 3.04 2.39 3.60 1.50 0.00 -0.46 -4.08 105.19 111.17 1rxc n GLY 93 Ca -0.18 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.88 3.41 0.02 2.61 -4.23 -1.26 -1.13 115.64 112.19 1rxc s THR 94 Ca 0.28 -1.39 -0.24 0.00 -1.18 0.00 0.00 61.69 59.16 1rxc s THR 94 Cb -0.00 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1rxc s THR 94 CO 0.20 0.01 0.55 0.28 -0.54 0.00 0.00 174.62 175.13 1rxc s THR 95 N -1.44 0.02 -0.24 3.99 -1.32 -0.79 -4.86 115.64 111.00 1rxc s THR 95 Ca 0.24 -0.18 -0.10 0.00 -1.21 0.00 0.00 61.69 60.44 1rxc s THR 95 Cb -0.10 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1rxc s THR 95 CO 0.15 -0.10 0.14 -0.83 -2.21 0.00 0.00 174.62 171.78 1rxc s GLY 96 N -1.75 1.95 0.41 6.08 0.00 -1.00 -1.52 107.32 111.48 1rxc s GLY 96 Ca -0.07 -0.91 -0.23 0.00 0.00 0.00 0.00 44.72 43.50 1rxc s GLY 96 CO 0.01 0.40 1.01 0.00 0.00 0.00 0.00 173.10 174.52 1rxc s ALA 97 N 1.10 3.06 -0.17 3.20 0.00 -0.49 -0.34 121.76 128.12 1rxc s ALA 97 Ca 0.07 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1rxc s ALA 97 Cb -0.14 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1rxc s ALA 97 CO 0.05 -0.09 0.71 0.44 0.00 0.00 0.00 175.76 176.87 1rxc n ILE 98 N -0.25 0.34 -3.64 0.00 -5.35 -0.49 -0.81 119.36 109.16 1rxc n ILE 98 Ca 0.06 -0.67 -0.34 0.00 -0.27 0.00 0.00 62.75 61.53 1rxc n ILE 98 Cb 0.51 0.85 -0.05 0.00 -1.74 0.00 0.00 39.64 39.21 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 -0.42 3.69 0.34 6.28 -1.52 -1.24 -4.75 119.66 122.04 1rxc s GLN 99 Ca 0.02 0.07 0.12 0.00 -1.95 0.00 0.00 55.36 53.62 1rxc s GLN 99 Cb 0.01 -3.00 0.61 0.00 -0.22 0.00 0.00 33.01 30.42 1rxc s GLN 99 CO 0.02 0.57 1.76 -1.00 -0.25 0.00 0.00 175.29 176.39 1rxc h PRO 100 N 3.66 0.00 0.00 2.91 0.14 -1.96 -3.22 132.00 133.52 1rxc h PRO 100 Ca -0.49 -0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.65 1rxc h PRO 100 Cb 1.19 -0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.33 1rxc h PRO 100 CO 0.67 0.45 -0.28 -2.39 0.14 0.00 0.00 178.00 176.59 1rxc n HIS 101 N -4.01 0.49 -3.12 1.56 1.44 -1.26 -4.78 115.22 105.54 1rxc n HIS 101 Ca -0.02 0.14 -0.40 0.00 -2.01 0.00 0.00 57.72 55.43 1rxc n HIS 101 Cb 0.47 -0.66 -0.06 0.00 0.12 0.00 0.00 29.99 29.85 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 -3.09 5.00 0.25 0.61 1.01 -1.22 -5.05 121.20 118.71 1rxc s ILE 102 Ca 0.10 1.13 0.06 0.00 0.00 0.00 0.00 60.65 61.93 1rxc s ILE 102 Cb 0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1rxc s ILE 102 CO 0.64 0.06 0.32 0.20 0.00 0.00 0.00 174.94 176.16 1rxc s ASN 103 N 1.38 6.09 0.33 3.58 0.01 -1.26 -4.85 114.94 120.21 1rxc s ASN 103 Ca 0.27 -0.03 -0.29 0.00 -0.71 0.00 0.00 52.86 52.09 1rxc s ASN 103 Cb -0.16 -1.71 -0.11 0.00 0.41 0.00 0.00 41.25 39.68 1rxc s ASN 103 CO 0.09 -0.08 1.56 0.52 -1.51 0.00 0.00 177.10 177.68 1rxc n VAL 104 N -1.36 1.41 0.00 1.60 0.31 -1.26 -1.54 118.33 117.49 1rxc n VAL 104 Ca -0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1rxc n VAL 104 Cb 0.57 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1rxc n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxc n GLY 105 N 1.49 2.00 3.79 2.92 0.00 -0.39 -5.01 105.19 109.98 1rxc n GLY 105 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.23 5.33 -0.12 1.61 1.11 -0.59 -4.77 116.67 117.01 1rxc s ASP 106 Ca 0.00 1.85 -0.01 0.00 0.18 0.00 0.00 52.55 54.57 1rxc s ASP 106 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 1rxc s ASP 106 CO 0.00 -1.47 -0.09 -0.69 1.18 0.00 0.00 175.17 174.10 1rxc s VAL 107 N -2.56 3.49 -0.19 -1.27 1.01 -0.82 -1.38 120.40 118.67 1rxc s VAL 107 Ca 0.63 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1rxc s VAL 107 Cb -0.17 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1rxc s VAL 107 CO 0.44 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 175.17 1rxc s LEU 108 N 0.02 2.45 -0.20 3.92 1.43 0.34 -1.81 118.68 124.83 1rxc s LEU 108 Ca -0.02 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 1rxc s LEU 108 Cb -0.14 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1rxc s LEU 108 CO 0.03 0.00 0.12 -0.69 0.23 0.00 0.00 176.35 176.05 1rxc s VAL 109 N 1.30 5.29 -0.32 -1.59 1.01 -0.37 -1.22 120.40 124.51 1rxc s VAL 109 Ca 0.04 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1rxc s VAL 109 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1rxc s VAL 109 CO -0.08 0.43 0.27 -0.89 0.00 0.00 0.00 175.10 174.82 1rxc s THR 110 N 0.49 5.26 0.14 3.92 2.01 -0.84 -1.85 115.64 124.77 1rxc s THR 110 Ca 0.07 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1rxc s THR 110 Cb -0.12 -3.69 -0.12 0.00 0.01 0.00 0.00 72.50 68.57 1rxc s THR 110 CO -0.01 0.05 1.38 0.71 -0.69 0.00 0.00 174.62 176.06 1rxc h THR 111 N 5.47 1.33 -2.30 -0.82 1.35 -1.53 -3.41 112.91 112.99 1rxc h THR 111 Ca -0.32 -2.05 0.17 0.00 -0.55 0.00 0.00 66.41 63.66 1rxc h THR 111 Cb 1.16 2.03 -0.10 0.00 -1.73 0.00 0.00 68.15 69.52 1rxc h THR 111 CO 0.63 0.63 0.50 0.00 -0.25 0.00 0.00 175.52 177.03 1rxc s ALA 112 N -3.70 -1.71 0.06 6.62 0.00 -1.25 -1.08 121.76 120.71 1rxc s ALA 112 Ca -0.08 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.28 1rxc s ALA 112 Cb 0.10 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1rxc s ALA 112 CO 0.87 -0.97 -0.21 -1.12 0.00 0.00 0.00 175.76 174.33 1rxc s SER 113 N -2.85 2.54 -0.10 0.00 0.01 -0.60 -1.73 113.70 110.97 1rxc s SER 113 Ca 0.11 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1rxc s SER 113 Cb -0.01 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1rxc s SER 113 CO -0.00 0.14 1.15 -0.69 0.41 0.00 0.00 173.24 174.25 1rxc s VAL 114 N -0.90 4.42 -1.09 3.43 1.01 0.89 -4.38 120.40 123.78 1rxc s VAL 114 Ca 0.07 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 1rxc s VAL 114 Cb -0.09 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.27 1rxc s VAL 114 CO 0.03 -0.04 1.43 -0.13 0.00 0.00 0.00 175.10 176.38 1rxc s ARG 115 N 2.49 3.75 -0.46 2.72 0.52 -1.26 -1.81 118.95 124.90 1rxc s ARG 115 Ca 0.53 -1.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.08 1rxc s ARG 115 Cb -0.22 -5.24 0.63 0.00 0.52 0.00 0.00 34.95 30.64 1rxc s ARG 115 CO 0.18 -2.04 1.89 1.28 0.02 0.00 0.00 175.30 176.62 1rxc n LEU 116 N 7.71 6.61 -4.59 2.53 4.77 -0.09 -4.97 117.00 128.98 1rxc n LEU 116 Ca 0.35 -3.72 -0.27 0.00 -0.03 0.00 0.00 56.01 52.34 1rxc n LEU 116 Cb 0.48 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1rxc n LEU 116 CO 0.64 1.13 -0.28 1.51 -1.33 0.00 0.00 177.39 179.06 1rxc s ASP 117 N -1.50 3.55 -0.21 -1.43 3.84 -1.22 -1.76 116.67 117.95 1rxc s ASP 117 Ca 0.57 -1.40 0.11 0.00 -0.00 0.00 0.00 52.55 51.84 1rxc s ASP 117 Cb 0.48 -0.25 -0.22 0.00 -1.38 0.00 0.00 42.92 41.54 1rxc s ASP 117 CO 0.08 -0.52 0.02 0.61 -0.00 0.00 0.00 175.17 175.36 1rxc n GLY 118 N -0.93 -0.77 0.16 2.12 0.00 -1.26 -4.62 105.19 99.88 1rxc n GLY 118 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.64 1.15 -0.95 4.61 0.00 -1.98 -2.45 119.26 120.28 1rxc h ALA 119 Ca -0.54 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 53.93 1rxc h ALA 119 Cb 2.11 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 1rxc h ALA 119 CO -0.00 0.64 0.63 0.66 0.00 0.00 0.00 179.25 181.17 1rxc h SER 120 N 0.00 1.06 0.19 0.00 4.64 -1.85 -2.13 113.55 115.46 1rxc h SER 120 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1rxc h SER 120 Cb 0.91 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1rxc h SER 120 CO 0.07 0.74 0.00 -0.07 -0.87 0.00 0.00 176.83 176.70 1rxc h LEU 121 N 1.23 0.00 -0.05 5.97 3.38 -1.54 -1.18 115.31 123.12 1rxc h LEU 121 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1rxc h LEU 121 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1rxc h LEU 121 CO -0.10 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.84 1rxc n HIS 122 N -2.86 0.59 -0.05 1.13 8.25 -0.80 -4.06 115.22 117.42 1rxc n HIS 122 Ca -0.02 0.18 -0.05 0.00 -0.26 0.00 0.00 57.72 57.56 1rxc n HIS 122 Cb 0.11 -0.79 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 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 -1.99 0.00 -3.59 4.41 3.72 -0.51 -5.07 117.46 114.44 1rxc n PHE 123 Ca 0.06 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 1rxc n PHE 123 Cb 0.38 -0.50 -0.07 0.00 -0.94 0.00 0.00 39.48 38.35 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 -2.24 -1.52 0.76 4.37 0.00 -0.81 -4.99 121.76 117.32 1rxc s ALA 124 Ca -0.06 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 1rxc s ALA 124 Cb 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.12 1rxc s ALA 124 CO 0.40 -0.34 1.12 -1.25 0.00 0.00 0.00 175.76 175.70 1rxc s PRO 125 N -1.07 2.14 0.42 0.00 0.04 -1.26 -3.84 135.00 131.43 1rxc s PRO 125 Ca -0.10 1.38 0.18 0.00 0.04 0.00 0.00 61.00 62.50 1rxc s PRO 125 Cb -0.02 -1.87 1.10 0.00 0.04 0.00 0.00 34.50 33.76 1rxc s PRO 125 CO 0.08 -1.76 1.82 1.25 0.04 0.00 0.00 177.00 178.43 1rxc h LEU 126 N -0.86 0.41 -2.70 -3.56 5.85 -1.93 -1.30 115.31 111.22 1rxc h LEU 126 Ca -0.45 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1rxc h LEU 126 Cb 1.25 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rxc h LEU 126 CO 0.50 0.13 0.04 1.05 -0.34 0.00 0.00 178.44 179.82 1rxc h GLU 127 N 0.39 0.00 -6.75 1.25 9.09 -2.03 -3.43 114.58 113.10 1rxc h GLU 127 Ca 0.52 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.41 1rxc h GLU 127 Cb 1.32 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 28.46 1rxc h GLU 127 CO -0.21 0.00 0.61 0.12 0.05 0.00 0.00 179.01 179.58 1rxc s PHE 128 N -4.34 3.27 0.08 2.06 5.36 -0.49 -5.01 117.98 118.92 1rxc s PHE 128 Ca -0.05 1.37 -0.30 0.00 -0.96 0.00 0.00 56.93 56.99 1rxc s PHE 128 Cb 0.14 -3.55 -0.05 0.00 -0.34 0.00 0.00 43.02 39.21 1rxc s PHE 128 CO 0.45 -1.58 1.02 -1.25 -1.46 0.00 0.00 175.22 172.40 1rxc s PRO 129 N -0.77 4.61 -1.44 10.12 0.04 -1.26 -4.94 135.00 141.35 1rxc s PRO 129 Ca 0.52 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1rxc s PRO 129 Cb -0.36 -3.38 0.06 0.00 0.04 0.00 0.00 34.50 30.85 1rxc s PRO 129 CO 0.42 0.05 2.19 0.00 0.04 0.00 0.00 177.00 179.70 1rxc n ALA 130 N 3.21 5.53 -2.73 8.56 0.00 -1.26 -4.72 120.51 129.10 1rxc n ALA 130 Ca 0.04 -3.94 -0.37 0.00 0.00 0.00 0.00 53.44 49.18 1rxc n ALA 130 Cb 0.49 -3.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.41 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 2.83 5.34 0.48 0.00 0.11 -1.26 -1.55 120.40 126.34 1rxc s VAL 131 Ca 0.46 0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 59.71 1rxc s VAL 131 Cb 0.13 -3.54 -0.07 0.00 -1.53 0.00 0.00 36.38 31.37 1rxc s VAL 131 CO -0.08 0.52 1.28 0.00 -3.33 0.00 0.00 175.10 173.49 1rxc s ALA 132 N -0.38 3.00 0.45 1.54 0.00 -0.24 -4.68 121.76 121.46 1rxc s ALA 132 Ca 0.16 1.18 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 1rxc s ALA 132 Cb -0.13 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1rxc s ALA 132 CO 0.05 -0.99 1.41 -3.47 0.00 0.00 0.00 175.76 172.76 1rxc n ASP 133 N -0.51 3.17 0.05 0.00 -0.08 -0.15 -4.93 116.55 114.11 1rxc n ASP 133 Ca 0.07 1.11 -0.14 0.00 -1.51 0.00 0.00 54.79 54.32 1rxc n ASP 133 Cb 0.45 -1.59 -0.05 0.00 2.34 0.00 0.00 41.12 42.28 1rxc n ASP 133 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1rxc h PHE 134 N 2.21 0.71 -0.43 -0.67 3.04 -1.95 -1.99 116.94 117.86 1rxc h PHE 134 Ca -0.50 -0.37 -0.12 0.00 3.98 0.00 0.00 57.97 60.95 1rxc h PHE 134 Cb 1.27 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1rxc h PHE 134 CO 0.49 1.19 -0.22 0.93 -2.02 0.00 0.00 178.31 178.67 1rxc h GLU 135 N 0.29 0.87 -0.45 1.11 5.08 -1.96 -1.75 114.58 117.77 1rxc h GLU 135 Ca -0.08 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1rxc h GLU 135 Cb 1.55 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1rxc h GLU 135 CO 0.17 1.01 0.05 0.00 -1.00 0.00 0.00 179.01 179.24 1rxc h THR 137 N 0.62 1.27 -0.48 0.00 2.02 -1.34 -1.29 112.91 113.71 1rxc h THR 137 Ca 0.13 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1rxc h THR 137 Cb 0.41 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1rxc h THR 137 CO 0.01 0.44 0.28 0.74 0.37 0.00 0.00 175.52 177.36 1rxc h THR 138 N 0.96 1.15 -0.45 3.16 2.02 -1.27 -0.45 112.91 118.03 1rxc h THR 138 Ca 0.16 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1rxc h THR 138 Cb 0.62 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1rxc h THR 138 CO 0.04 0.16 -0.02 0.00 0.37 0.00 0.00 175.52 176.06 1rxc h ALA 139 N 1.13 1.11 -0.05 6.16 0.00 -1.14 -0.29 119.26 126.17 1rxc h ALA 139 Ca 0.17 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1rxc h ALA 139 Cb 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rxc h ALA 139 CO -0.03 0.57 -0.93 -0.07 0.00 0.00 0.00 179.25 178.79 1rxc h LEU 140 N 0.71 0.84 -0.22 0.00 3.38 -0.92 0.11 115.31 119.21 1rxc h LEU 140 Ca 0.14 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1rxc h LEU 140 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1rxc h LEU 140 CO 0.02 1.42 0.03 0.58 0.09 0.00 0.00 178.44 180.59 1rxc h VAL 141 N 0.41 1.23 -0.39 1.22 2.07 -1.03 -0.87 116.25 118.88 1rxc h VAL 141 Ca -0.09 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1rxc h VAL 141 Cb 1.56 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1rxc h VAL 141 CO 0.18 0.24 -0.01 -0.33 0.02 0.00 0.00 177.57 177.67 1rxc h GLU 142 N 0.16 0.63 -0.23 1.57 5.08 -1.02 -1.69 114.58 119.08 1rxc h GLU 142 Ca 0.07 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 1rxc h GLU 142 Cb 0.33 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1rxc h GLU 142 CO 0.01 0.66 -0.56 0.00 -1.00 0.00 0.00 179.01 178.12 1rxc h ALA 143 N 1.39 0.58 -0.69 3.43 0.00 -0.88 -0.67 119.26 122.42 1rxc h ALA 143 Ca 0.12 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1rxc h ALA 143 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1rxc h ALA 143 CO 0.02 0.69 0.13 0.00 0.00 0.00 0.00 179.25 180.08 1rxc h ALA 144 N 0.83 0.92 -0.10 0.00 0.00 -0.81 -2.11 119.26 117.99 1rxc h ALA 144 Ca 0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1rxc h ALA 144 Cb 1.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rxc h ALA 144 CO 0.11 0.67 -0.63 0.87 0.00 0.00 0.00 179.25 180.28 1rxc h LYS 145 N 1.06 0.36 -0.06 0.00 1.57 -1.29 -2.15 116.57 116.07 1rxc h LYS 145 Ca 0.21 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1rxc h LYS 145 Cb 0.43 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1rxc h LYS 145 CO 0.01 0.87 0.01 1.03 -0.57 0.00 0.00 179.45 180.80 1rxc h SER 146 N 0.26 0.10 1.37 0.86 0.87 -0.83 -3.02 113.55 113.16 1rxc h SER 146 Ca -0.01 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1rxc h SER 146 Cb 1.16 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1rxc h SER 146 CO 0.10 0.33 -0.10 2.30 -0.53 0.00 0.00 176.83 178.94 1rxc n ILE 147 N -4.90 0.55 0.00 2.23 -6.64 -0.82 -4.96 119.36 104.83 1rxc n ILE 147 Ca -0.07 -0.28 0.00 0.00 -1.77 0.00 0.00 62.75 60.63 1rxc n ILE 147 Cb 0.16 -0.51 0.00 0.00 -1.44 0.00 0.00 39.64 37.85 1rxc n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxc n GLY 148 N 1.32 1.04 3.75 3.28 0.00 -0.98 -5.10 105.19 108.50 1rxc n GLY 148 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.54 -0.26 4.61 0.00 -0.85 -4.96 121.76 120.85 1rxc s ALA 149 Ca 0.00 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 1rxc s ALA 149 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1rxc s ALA 149 CO 0.00 -1.22 1.01 0.95 0.00 0.00 0.00 175.76 176.50 1rxc s THR 150 N -1.55 4.65 0.12 0.00 -4.23 -1.26 -4.70 115.64 108.67 1rxc s THR 150 Ca 0.78 1.84 0.10 0.00 -1.18 0.00 0.00 61.69 63.22 1rxc s THR 150 Cb -0.32 -4.31 -0.04 0.00 1.34 0.00 0.00 72.50 69.17 1rxc s THR 150 CO 0.34 -0.26 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.03 1rxc s THR 151 N 3.28 2.41 0.00 3.99 2.01 -1.26 -1.95 115.64 124.12 1rxc s THR 151 Ca 0.43 -1.65 0.03 0.00 0.31 0.00 0.00 61.69 60.81 1rxc s THR 151 Cb -0.14 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1rxc s THR 151 CO 0.09 0.12 -0.10 -1.00 -0.69 0.00 0.00 174.62 173.04 1rxc s HIS 152 N -1.06 0.89 -0.10 4.92 3.76 -0.75 -4.96 115.29 117.99 1rxc s HIS 152 Ca 0.15 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1rxc s HIS 152 Cb -0.10 -0.56 0.01 0.00 1.11 0.00 0.00 32.58 33.03 1rxc s HIS 152 CO 0.07 -0.01 -0.20 0.08 -0.85 0.00 0.00 174.74 173.82 1rxc s VAL 153 N -0.38 1.81 -3.25 -0.90 1.01 -1.26 -1.23 120.40 116.19 1rxc s VAL 153 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1rxc s VAL 153 Cb -0.05 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1rxc s VAL 153 CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1rxc n GLY 154 N 3.75 -0.53 3.80 4.51 0.00 -0.77 -4.96 105.19 110.99 1rxc n GLY 154 Ca -0.20 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.20 4.48 0.04 1.61 1.01 -1.26 -1.28 120.40 121.80 1rxc s VAL 155 Ca 0.00 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.52 1rxc s VAL 155 Cb 0.00 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1rxc s VAL 155 CO 0.00 0.29 -0.23 -0.89 0.00 0.00 0.00 175.10 174.27 1rxc s THR 156 N -1.42 1.89 -0.19 3.92 2.01 -0.71 -1.08 115.64 120.06 1rxc s THR 156 Ca 0.41 -1.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 1rxc s THR 156 Cb -0.19 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1rxc s THR 156 CO 0.23 0.31 0.34 0.00 -0.69 0.00 0.00 174.62 174.80 1rxc s ALA 157 N -0.78 3.57 -0.26 7.40 0.00 0.41 -0.08 121.76 132.02 1rxc s ALA 157 Ca 0.09 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1rxc s ALA 157 Cb -0.09 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.57 1rxc s ALA 157 CO 0.02 -0.17 -0.09 0.45 0.00 0.00 0.00 175.76 175.96 1rxc s SER 158 N 0.88 4.44 -0.01 0.00 0.15 -0.75 -1.66 113.70 116.74 1rxc s SER 158 Ca 0.17 -1.45 0.04 0.00 0.70 0.00 0.00 55.95 55.41 1rxc s SER 158 Cb -0.14 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1rxc s SER 158 CO 0.06 -0.21 -0.13 -0.55 1.20 0.00 0.00 173.24 173.62 1rxc s SER 159 N 1.10 4.16 0.00 5.45 0.15 -0.09 -0.91 113.70 123.57 1rxc s SER 159 Ca -0.07 -0.23 0.23 0.00 0.70 0.00 0.00 55.95 56.58 1rxc s SER 159 Cb -0.20 -0.87 1.05 0.00 -1.71 0.00 0.00 66.02 64.29 1rxc s SER 159 CO -0.05 0.31 1.74 0.47 1.20 0.00 0.00 173.24 176.91 1rxc n ASP 160 N 1.91 0.00 -4.31 5.45 9.92 -0.72 -4.33 116.55 124.47 1rxc n ASP 160 Ca -0.16 0.30 -0.20 0.00 -0.53 0.00 0.00 54.79 54.19 1rxc n ASP 160 Cb 0.52 -0.42 -0.11 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.84 1.69 0.05 -3.53 -4.23 -1.26 -5.01 115.64 100.51 1rxc s THR 161 Ca 0.15 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1rxc s THR 161 Cb 0.15 -1.79 -0.21 0.00 1.34 0.00 0.00 72.50 71.99 1rxc s THR 161 CO 0.39 -0.37 1.06 0.15 -0.54 0.00 0.00 174.62 175.31 1rxc h PHE 162 N 3.24 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.39 1rxc h PHE 162 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1rxc h PHE 162 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1rxc h PHE 162 CO 0.68 0.98 0.00 0.66 -2.23 0.00 0.00 178.31 178.40 1rxc n TYR 163 N -3.23 0.00 -0.11 0.41 4.01 -1.26 -4.39 117.16 112.59 1rxc n TYR 163 Ca -0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.65 1rxc n TYR 163 Cb 0.97 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 40.20 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 0.78 0.00 -0.72 0.13 -1.88 -1.27 132.00 129.04 1rxc h PRO 164 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1rxc h PRO 164 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1rxc h PRO 164 CO 0.00 0.74 0.00 0.78 -0.23 0.00 0.00 178.00 179.29 1rxc h GLY 165 N 0.95 0.00 -2.71 1.56 0.00 -1.87 -0.90 103.07 100.11 1rxc h GLY 165 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1rxc h GLY 165 CO 0.01 0.00 0.01 -1.06 0.00 0.00 0.00 176.54 175.49 1rxc n GLN 166 N -3.07 4.02 -4.08 4.80 6.02 -0.94 -4.93 117.38 119.20 1rxc n GLN 166 Ca 0.00 -3.03 -0.27 0.00 -0.01 0.00 0.00 57.00 53.68 1rxc n GLN 166 Cb 0.28 -2.09 -0.05 0.00 1.02 0.00 0.00 30.24 29.40 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 0.10 -2.51 -3.32 -1.09 2.13 -0.34 -4.95 120.64 110.65 1rxc n GLU 167 Ca 0.25 0.30 -0.38 0.00 0.66 0.00 0.00 57.16 57.99 1rxc n GLU 167 Cb 1.08 -4.23 -0.06 0.00 0.27 0.00 0.00 31.44 28.49 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 -6.84 4.22 -0.02 5.31 0.52 -0.52 -4.99 118.95 116.62 1rxc s ARG 168 Ca 0.02 0.55 0.13 0.00 -0.52 0.00 0.00 55.73 55.92 1rxc s ARG 168 Cb -0.01 -3.33 -0.20 0.00 0.52 0.00 0.00 34.95 31.92 1rxc s ARG 168 CO 0.93 0.40 0.31 0.66 0.02 0.00 0.00 175.30 177.62 1rxc n TYR 169 N 2.73 0.00 -1.88 -0.53 4.01 -1.26 -4.41 117.16 115.82 1rxc n TYR 169 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 1rxc n TYR 169 Cb 0.51 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.25 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 -1.92 3.88 -4.10 7.72 4.64 -1.26 -4.13 116.55 121.37 1rxc n ASP 170 Ca -0.02 -2.83 -0.16 0.00 -1.38 0.00 0.00 54.79 50.40 1rxc n ASP 170 Cb 0.34 -1.60 -0.10 0.00 -1.04 0.00 0.00 41.12 38.72 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 4.26 0.28 0.16 5.18 -4.23 -1.26 -5.00 115.64 115.02 1rxc s THR 171 Ca 0.52 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1rxc s THR 171 Cb 0.11 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1rxc s THR 171 CO -0.00 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 175.96 1rxc h TYR 172 N 2.37 -0.35 0.00 3.99 3.20 -1.99 -2.58 116.97 121.61 1rxc h TYR 172 Ca -0.35 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.40 1rxc h TYR 172 Cb 1.25 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 1rxc h TYR 172 CO 0.72 -0.22 -0.89 0.66 -1.64 0.00 0.00 178.16 176.79 1rxc h SER 173 N -0.09 0.00 -0.24 -2.11 4.64 -1.97 -3.48 113.55 110.30 1rxc h SER 173 Ca 0.16 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1rxc h SER 173 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1rxc h SER 173 CO -0.38 0.64 -0.09 0.61 -0.87 0.00 0.00 176.83 176.74 1rxc n GLY 174 N 1.31 0.62 3.42 -0.77 0.00 -0.97 -4.99 105.19 103.81 1rxc n GLY 174 Ca -0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.02 1.54 -0.05 1.61 1.70 -1.26 -4.88 118.95 115.58 1rxc s ARG 175 Ca 0.00 -1.75 0.04 0.00 -0.47 0.00 0.00 55.73 53.54 1rxc s ARG 175 Cb 0.00 -1.25 0.00 0.00 -0.57 0.00 0.00 34.95 33.13 1rxc s ARG 175 CO 0.00 0.10 -0.16 0.08 -1.08 0.00 0.00 175.30 174.24 1rxc s VAL 176 N -2.92 1.37 0.62 4.99 1.01 -1.26 -4.91 120.40 119.29 1rxc s VAL 176 Ca 0.28 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1rxc s VAL 176 Cb 0.02 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1rxc s VAL 176 CO 0.11 0.40 0.89 0.55 0.00 0.00 0.00 175.10 177.05 1rxc n VAL 177 N 3.31 3.47 -0.25 2.92 3.14 -1.26 -4.64 118.33 125.03 1rxc n VAL 177 Ca -0.19 -0.49 0.05 0.00 -2.96 0.00 0.00 64.34 60.75 1rxc n VAL 177 Cb 0.53 -1.06 0.17 0.00 -1.06 0.00 0.00 33.84 32.41 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 0.32 0.17 -0.92 1.45 2.43 -2.00 -1.72 114.38 114.11 1rxc h ARG 178 Ca -0.48 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.85 1rxc h ARG 178 Cb 1.37 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 1rxc h ARG 178 CO 0.49 0.11 0.59 1.25 -1.51 0.00 0.00 179.97 180.91 1rxc h HIS 179 N 0.18 0.78 -0.03 2.20 2.76 -2.02 -2.35 115.15 116.67 1rxc h HIS 179 Ca 0.41 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1rxc h HIS 179 Cb 0.72 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1rxc h HIS 179 CO -0.34 0.24 -0.08 1.19 -1.30 0.00 0.00 177.93 177.65 1rxc n PHE 180 N -4.58 0.00 -2.24 5.26 3.01 -0.68 -4.78 117.46 113.45 1rxc n PHE 180 Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 1rxc n PHE 180 Cb 0.56 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 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 -1.99 4.34 0.00 -1.08 1.02 -0.89 -2.30 119.74 118.84 1rxc s LYS 181 Ca 0.25 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1rxc s LYS 181 Cb 0.19 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1rxc s LYS 181 CO 0.33 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1rxc n GLY 182 N 3.46 0.47 0.19 -3.33 0.00 -1.26 -4.93 105.19 99.79 1rxc n GLY 182 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.77 -0.53 1.61 4.64 -1.76 -2.93 113.55 115.35 1rxc h SER 183 Ca 0.00 -0.56 0.06 0.00 -0.47 0.00 0.00 61.79 60.82 1rxc h SER 183 Cb 0.20 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1rxc h SER 183 CO 0.00 1.35 0.24 -0.03 -0.87 0.00 0.00 176.83 177.52 1rxc h MET 184 N 0.39 0.45 -0.69 4.77 -1.53 -1.92 -1.08 114.93 115.32 1rxc h MET 184 Ca -0.08 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.09 1rxc h MET 184 Cb 1.51 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 32.43 1rxc h MET 184 CO 0.17 0.29 0.16 1.49 0.14 0.00 0.00 176.91 179.16 1rxc h GLU 185 N 0.46 1.09 -0.20 0.39 4.81 -1.96 -0.33 114.58 118.84 1rxc h GLU 185 Ca 0.24 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1rxc h GLU 185 Cb 0.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1rxc h GLU 185 CO -0.20 0.97 0.12 0.93 -0.73 0.00 0.00 179.01 180.10 1rxc h GLU 186 N 1.04 0.27 -0.49 1.92 4.39 -1.23 -1.43 114.58 119.05 1rxc h GLU 186 Ca 0.22 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1rxc h GLU 186 Cb 0.37 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1rxc h GLU 186 CO 0.00 0.22 0.14 -1.49 -1.16 0.00 0.00 179.01 176.72 1rxc h TRP 187 N 0.24 0.75 -0.11 4.33 -0.00 -0.99 -1.67 115.95 118.50 1rxc h TRP 187 Ca 0.07 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1rxc h TRP 187 Cb 0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 28.92 1rxc h TRP 187 CO -0.05 0.62 -0.08 1.96 -0.00 0.00 0.00 178.44 180.89 1rxc h GLN 188 N 0.72 -0.09 0.00 0.49 4.20 -0.77 -1.77 115.11 117.89 1rxc h GLN 188 Ca 0.16 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1rxc h GLN 188 Cb 0.24 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1rxc h GLN 188 CO -0.01 -0.06 -0.17 0.00 -0.67 0.00 0.00 178.83 177.93 1rxc h ALA 189 N 0.99 1.60 -0.01 3.87 0.00 -0.84 -2.42 119.26 122.46 1rxc h ALA 189 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rxc h ALA 189 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rxc h ALA 189 CO -0.17 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 1rxc n MET 190 N -4.16 1.10 -0.68 0.00 2.81 -0.67 -4.90 117.12 110.63 1rxc n MET 190 Ca -0.02 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1rxc n MET 190 Cb 0.24 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.00 0.73 3.71 3.03 0.00 -0.91 -5.02 105.19 107.73 1rxc n GLY 191 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 2.52 0.12 1.61 1.01 -0.73 -4.66 120.40 117.73 1rxc s VAL 192 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1rxc s VAL 192 Cb 0.00 -3.19 -0.21 0.00 0.00 0.00 0.00 36.38 32.98 1rxc s VAL 192 CO 0.00 0.02 1.26 0.24 0.00 0.00 0.00 175.10 176.62 1rxc h MET 193 N 7.22 0.37 -2.26 2.72 0.00 -1.43 -3.42 114.93 118.13 1rxc h MET 193 Ca -0.43 -0.44 0.14 0.00 0.00 0.00 0.00 59.70 58.96 1rxc h MET 193 Cb 1.20 0.14 -0.13 0.00 0.00 0.00 0.00 31.60 32.81 1rxc h MET 193 CO 0.93 1.13 0.51 0.54 0.00 0.00 0.00 176.91 180.02 1rxc s ASN 194 N -7.10 -0.30 -0.11 1.22 4.22 -1.26 -1.40 114.94 110.20 1rxc s ASN 194 Ca -0.05 -0.11 -0.02 0.00 -2.14 0.00 0.00 52.86 50.54 1rxc s ASN 194 Cb 0.08 0.40 -0.03 0.00 1.28 0.00 0.00 41.25 42.98 1rxc s ASN 194 CO 0.87 -0.68 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.91 1rxc s TYR 195 N -3.13 3.06 0.00 1.54 2.02 0.54 -0.44 117.35 120.93 1rxc s TYR 195 Ca 0.07 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1rxc s TYR 195 Cb -0.01 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1rxc s TYR 195 CO -0.06 0.23 0.00 -0.85 -1.57 0.00 0.00 175.55 173.30 1rxc n GLU 196 N 2.76 0.00 0.00 -0.62 -0.00 -0.66 -2.39 120.64 119.73 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 2.69 -0.00 3.44 2.81 -1.26 -0.91 117.12 123.88 1rxc n MET 197 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.92 1rxc n MET 197 Cb 0.00 -0.80 -0.04 0.00 -0.71 0.00 0.00 33.22 31.67 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 -1.28 0.59 -0.11 0.03 4.71 -1.26 -3.97 120.64 119.34 1rxc n GLU 198 Ca 0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 57.16 57.09 1rxc n GLU 198 Cb 0.00 -1.09 0.23 0.00 -1.01 0.00 0.00 31.44 29.57 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 0.72 -0.57 1.62 4.64 -1.94 -2.05 113.55 115.97 1rxc h SER 199 Ca 0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1rxc h SER 199 Cb 0.23 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1rxc h SER 199 CO 0.00 0.69 0.35 0.00 -0.87 0.00 0.00 176.83 177.00 1rxc h ALA 200 N 1.41 0.72 -0.22 5.18 0.00 -1.86 0.44 119.26 124.94 1rxc h ALA 200 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rxc h ALA 200 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rxc h ALA 200 CO -0.01 0.20 0.01 1.15 0.00 0.00 0.00 179.25 180.60 1rxc h THR 201 N 0.77 1.25 -0.03 0.00 2.02 -1.82 -2.40 112.91 112.70 1rxc h THR 201 Ca 0.21 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1rxc h THR 201 Cb -0.03 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1rxc h THR 201 CO -0.04 0.27 -0.00 0.25 0.37 0.00 0.00 175.52 176.36 1rxc h LEU 202 N 0.15 0.05 -0.55 2.58 5.85 -1.18 -1.29 115.31 120.92 1rxc h LEU 202 Ca 0.06 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 1rxc h LEU 202 Cb 0.39 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rxc h LEU 202 CO 0.01 0.37 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.21 1rxc h LEU 203 N -0.28 0.97 -0.03 2.25 3.38 -1.00 -1.39 115.31 119.22 1rxc h LEU 203 Ca 0.01 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1rxc h LEU 203 Cb 0.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rxc h LEU 203 CO 0.00 1.14 -0.01 0.74 0.09 0.00 0.00 178.44 180.40 1rxc h THR 204 N 0.82 1.32 -0.31 0.22 2.02 -1.46 -0.31 112.91 115.22 1rxc h THR 204 Ca 0.11 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 1rxc h THR 204 Cb 0.77 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1rxc h THR 204 CO 0.06 0.26 -0.07 0.00 0.37 0.00 0.00 175.52 176.14 1rxc h MET 205 N -0.34 0.50 -0.01 6.66 -0.00 -1.16 -1.67 114.93 118.92 1rxc h MET 205 Ca 0.01 -0.13 -0.11 0.00 -0.00 0.00 0.00 59.70 59.47 1rxc h MET 205 Cb 0.42 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 31.97 1rxc h MET 205 CO 0.00 0.58 -0.42 0.00 -0.00 0.00 0.00 176.91 177.07 1rxc h ALA 207 N 0.31 1.65 -0.17 0.00 0.00 -0.92 -1.41 119.26 118.72 1rxc h ALA 207 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rxc h ALA 207 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rxc h ALA 207 CO 0.08 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 1rxc n SER 208 N -4.27 1.79 -0.16 0.00 3.41 -0.64 -4.12 113.62 109.64 1rxc n SER 208 Ca -0.02 -1.71 0.02 0.00 -0.26 0.00 0.00 58.87 56.90 1rxc n SER 208 Cb 0.26 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.41 0.93 -1.14 4.33 6.02 -0.83 -5.01 117.38 122.08 1rxc n GLN 209 Ca 0.17 -1.34 -0.05 0.00 -0.01 0.00 0.00 57.00 55.76 1rxc n GLN 209 Cb 0.35 -0.84 -0.02 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.44 0.75 3.88 1.08 0.00 -0.99 -5.02 105.19 104.45 1rxc n GLY 210 Ca 0.04 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.12 4.30 -0.09 0.99 1.43 -0.59 -5.05 118.68 118.54 1rxc s LEU 211 Ca 0.00 0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 53.23 1rxc s LEU 211 Cb 0.00 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1rxc s LEU 211 CO 0.00 0.31 0.66 -0.13 0.23 0.00 0.00 176.35 177.42 1rxc s ARG 212 N -1.62 4.39 -0.02 1.70 0.52 -0.30 -3.90 118.95 119.73 1rxc s ARG 212 Ca 0.23 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.25 1rxc s ARG 212 Cb -0.12 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 31.88 1rxc s ARG 212 CO 0.13 0.04 -0.10 0.00 0.02 0.00 0.00 175.30 175.40 1rxc s ALA 213 N 0.92 0.85 0.19 2.13 0.00 -1.26 -0.26 121.76 124.34 1rxc s ALA 213 Ca 0.35 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.99 1rxc s ALA 213 Cb -0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1rxc s ALA 213 CO 0.16 0.17 -0.14 0.20 0.00 0.00 0.00 175.76 176.15 1rxc s GLY 214 N -0.03 1.35 -0.11 0.00 0.00 -0.30 -0.97 107.32 107.25 1rxc s GLY 214 Ca 0.01 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 1rxc s GLY 214 CO 0.00 -1.71 0.23 -0.29 0.00 0.00 0.00 173.10 171.33 1rxc s MET 215 N -3.61 0.14 0.01 2.90 1.75 -1.26 -1.30 119.30 117.94 1rxc s MET 215 Ca 0.21 0.60 0.00 0.00 -1.25 0.00 0.00 55.69 55.25 1rxc s MET 215 Cb -0.00 -0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.54 1rxc s MET 215 CO 0.05 -0.23 -0.02 0.54 -0.65 0.00 0.00 175.02 174.71 1rxc s VAL 216 N 1.86 0.13 -0.02 10.11 0.11 -0.74 -1.99 120.40 129.86 1rxc s VAL 216 Ca -0.03 -0.55 -0.14 0.00 -2.93 0.00 0.00 61.98 58.32 1rxc s VAL 216 Cb -0.11 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1rxc s VAL 216 CO -0.08 -0.27 0.30 0.00 -3.33 0.00 0.00 175.10 171.72 1rxc s ALA 217 N -0.84 -0.77 -0.14 1.54 0.00 -0.35 -1.35 121.76 119.84 1rxc s ALA 217 Ca -0.09 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1rxc s ALA 217 Cb -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1rxc s ALA 217 CO -0.00 -0.25 0.42 0.20 0.00 0.00 0.00 175.76 176.12 1rxc s GLY 218 N -1.19 2.30 -0.16 0.00 0.00 -0.28 -0.50 107.32 107.48 1rxc s GLY 218 Ca -0.12 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1rxc s GLY 218 CO 0.04 0.68 1.22 0.14 0.00 0.00 0.00 173.10 175.18 1rxc s VAL 219 N 0.66 4.34 -0.27 1.40 1.01 -0.48 -1.88 120.40 125.18 1rxc s VAL 219 Ca 0.22 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1rxc s VAL 219 Cb -0.14 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1rxc s VAL 219 CO 0.08 -0.13 0.30 2.30 0.00 0.00 0.00 175.10 177.66 1rxc n ILE 220 N 5.28 0.00 -3.90 2.22 -5.35 -0.58 -1.26 119.36 115.78 1rxc n ILE 220 Ca 0.13 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1rxc n ILE 220 Cb 0.45 0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.05 0.09 -0.20 7.28 0.11 -1.24 -4.27 120.40 120.13 1rxc s VAL 221 Ca 0.01 -0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 58.25 1rxc s VAL 221 Cb 0.06 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1rxc s VAL 221 CO 0.35 -0.42 -0.03 0.21 -3.33 0.00 0.00 175.10 171.87 1rxc s ASN 222 N -1.47 4.52 0.00 3.54 3.84 -1.26 -1.40 114.94 122.71 1rxc s ASN 222 Ca -0.14 -0.29 0.28 0.00 0.21 0.00 0.00 52.86 52.92 1rxc s ASN 222 Cb -0.08 -1.76 1.09 0.00 -0.55 0.00 0.00 41.25 39.95 1rxc s ASN 222 CO 0.01 0.05 1.82 0.54 -2.79 0.00 0.00 177.10 176.73 1rxc n ARG 223 N 4.33 0.01 0.07 0.43 5.12 0.01 -1.74 116.66 124.89 1rxc n ARG 223 Ca -0.18 -0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.87 1rxc n ARG 223 Cb 0.52 -1.50 0.47 0.00 -1.16 0.00 0.00 32.46 30.79 1rxc n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rxc n THR 224 N -1.49 0.50 -0.08 0.55 -2.24 -1.26 -4.25 114.28 106.00 1rxc n THR 224 Ca 0.07 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1rxc n THR 224 Cb 0.34 -0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 1rxc n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxc n GLN 225 N -1.94 0.39 -4.10 -0.78 1.13 -0.79 -5.10 117.38 106.18 1rxc n GLN 225 Ca 0.05 0.17 -0.09 0.00 -1.94 0.00 0.00 57.00 55.19 1rxc n GLN 225 Cb 0.34 -1.16 -0.10 0.00 0.11 0.00 0.00 30.24 29.44 1rxc n GLN 225 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1rxc s GLN 226 N -2.41 0.89 -0.15 -1.09 -0.21 -0.71 -5.07 119.66 110.91 1rxc s GLN 226 Ca -0.25 -1.34 -0.10 0.00 0.02 0.00 0.00 55.36 53.70 1rxc s GLN 226 Cb 0.08 0.26 -0.24 0.00 1.00 0.00 0.00 33.01 34.11 1rxc s GLN 226 CO 0.32 -0.25 0.29 0.39 -2.12 0.00 0.00 175.29 173.93 1rxc n GLU 227 N -0.06 0.71 -4.26 2.91 1.02 -1.26 -3.99 120.64 115.70 1rxc n GLU 227 Ca -0.08 0.32 -0.35 0.00 -0.02 0.00 0.00 57.16 57.04 1rxc n GLU 227 Cb 0.63 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1rxc n GLU 227 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rxc s ILE 228 N -2.52 4.38 0.55 -3.67 1.09 -1.26 -5.02 121.20 114.76 1rxc s ILE 228 Ca -0.25 -0.20 -0.22 0.00 -1.10 0.00 0.00 60.65 58.89 1rxc s ILE 228 Cb 0.07 -2.90 -0.05 0.00 -1.06 0.00 0.00 42.46 38.52 1rxc s ILE 228 CO 0.72 0.54 1.36 -2.84 -0.10 0.00 0.00 174.94 174.62 1rxc s PRO 229 N -0.25 3.11 0.31 2.79 0.02 -1.26 -5.00 135.00 134.72 1rxc s PRO 229 Ca 0.06 2.25 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 1rxc s PRO 229 Cb -0.12 -2.25 -0.09 0.00 0.02 0.00 0.00 34.50 32.06 1rxc s PRO 229 CO 0.02 -1.21 1.13 -0.80 -0.33 0.00 0.00 177.00 175.80 1rxc s ASN 230 N -0.95 7.08 0.14 2.53 0.01 -1.26 -4.98 114.94 117.50 1rxc s ASN 230 Ca 0.72 2.31 -0.10 0.00 -0.71 0.00 0.00 52.86 55.08 1rxc s ASN 230 Cb -0.41 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 38.57 1rxc s ASN 230 CO 0.48 -0.28 1.41 0.00 -1.51 0.00 0.00 177.10 177.20 1rxc h ALA 231 N 3.51 0.49 0.00 0.60 0.00 -1.95 -3.29 119.26 118.61 1rxc h ALA 231 Ca -0.47 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1rxc h ALA 231 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rxc h ALA 231 CO 0.66 0.69 0.00 -0.85 0.00 0.00 0.00 179.25 179.74 1rxc n GLU 232 N -3.98 0.12 -0.00 0.00 0.00 -1.26 -2.70 120.64 112.82 1rxc n GLU 232 Ca -0.05 0.20 0.06 0.00 0.00 0.00 0.00 57.16 57.38 1rxc n GLU 232 Cb 0.64 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.50 1rxc n GLU 232 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1rxc n THR 233 N -1.38 0.00 0.08 3.84 5.66 -1.24 -4.70 114.28 116.55 1rxc n THR 233 Ca 0.05 -0.23 -0.12 0.00 -3.05 0.00 0.00 64.05 60.71 1rxc n THR 233 Cb 0.13 0.76 -0.13 0.00 -1.55 0.00 0.00 70.33 69.54 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 0.00 0.15 -0.24 1.09 2.86 -1.66 -3.27 114.93 113.86 1rxc h MET 234 Ca 0.00 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.34 1rxc h MET 234 Cb 0.39 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1rxc h MET 234 CO 0.00 1.11 -0.04 0.87 1.06 0.00 0.00 176.91 179.92 1rxc h LYS 235 N 0.04 0.45 0.00 1.72 6.56 -1.84 -2.02 116.57 121.49 1rxc h LYS 235 Ca -0.08 -0.16 -0.08 0.00 -1.06 0.00 0.00 60.65 59.27 1rxc h LYS 235 Cb 1.87 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.48 1rxc h LYS 235 CO 0.17 0.66 -0.39 -0.56 -2.06 0.00 0.00 179.45 177.27 1rxc h GLN 236 N 0.20 0.00 -0.19 3.15 3.07 -1.90 -2.62 115.11 116.81 1rxc h GLN 236 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.59 1rxc h GLN 236 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.05 1rxc h GLN 236 CO 0.02 0.39 -0.72 1.15 0.09 0.00 0.00 178.83 179.76 1rxc h THR 237 N 0.00 1.27 -0.09 1.86 2.02 -1.58 -2.44 112.91 113.95 1rxc h THR 237 Ca -0.00 -1.90 -0.08 0.00 0.77 0.00 0.00 66.41 65.19 1rxc h THR 237 Cb 0.99 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1rxc h THR 237 CO 0.05 0.61 -0.32 -0.08 0.37 0.00 0.00 175.52 176.15 1rxc h GLU 238 N 0.59 0.17 -0.21 6.66 4.81 -1.35 -2.77 114.58 122.47 1rxc h GLU 238 Ca -0.03 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.94 1rxc h GLU 238 Cb 1.34 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.72 1rxc h GLU 238 CO 0.15 0.47 -0.64 0.77 -0.73 0.00 0.00 179.01 179.03 1rxc h SER 239 N 0.15 0.92 -0.19 1.04 0.02 -1.43 -2.32 113.55 111.74 1rxc h SER 239 Ca 0.02 -0.59 0.05 0.00 -0.84 0.00 0.00 61.79 60.43 1rxc h SER 239 Cb 0.64 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1rxc h SER 239 CO 0.05 1.35 -0.12 -0.74 -1.14 0.00 0.00 176.83 176.23 1rxc h HIS 240 N 0.55 -0.28 -0.47 3.45 2.76 -1.35 -2.37 115.15 117.44 1rxc h HIS 240 Ca -0.02 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1rxc h HIS 240 Cb 1.27 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 1rxc h HIS 240 CO 0.08 -0.18 -0.03 0.00 -1.30 0.00 0.00 177.93 176.51 1rxc h ALA 241 N 1.05 0.64 -0.89 5.26 0.00 -1.51 -2.67 119.26 121.14 1rxc h ALA 241 Ca 0.11 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1rxc h ALA 241 Cb 0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1rxc h ALA 241 CO -0.26 0.48 0.59 0.28 0.00 0.00 0.00 179.25 180.33 1rxc h VAL 242 N 0.71 1.20 -0.56 0.00 2.07 -1.36 -0.74 116.25 117.57 1rxc h VAL 242 Ca 0.13 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1rxc h VAL 242 Cb 0.55 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1rxc h VAL 242 CO 0.03 0.22 0.07 0.50 0.02 0.00 0.00 177.57 178.41 1rxc h LYS 243 N 1.18 0.91 -0.26 1.57 3.64 -1.26 -2.36 116.57 119.99 1rxc h LYS 243 Ca 0.34 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1rxc h LYS 243 Cb -0.10 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1rxc h LYS 243 CO -0.09 0.86 -0.32 0.82 -2.27 0.00 0.00 179.45 178.45 1rxc h ILE 244 N 0.86 1.31 -0.20 2.00 2.04 -1.06 -2.31 117.51 120.16 1rxc h ILE 244 Ca 0.17 -1.51 -0.13 0.00 1.00 0.00 0.00 64.86 64.40 1rxc h ILE 244 Cb 0.41 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1rxc h ILE 244 CO 0.01 0.48 -0.42 1.62 0.00 0.00 0.00 178.15 179.84 1rxc h VAL 245 N 0.41 1.31 -0.49 1.67 3.04 -1.05 -0.92 116.25 120.22 1rxc h VAL 245 Ca 0.03 -1.58 -0.07 0.00 -1.01 0.00 0.00 66.70 64.08 1rxc h VAL 245 Cb 0.90 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1rxc h VAL 245 CO 0.08 0.49 0.03 0.58 -1.01 0.00 0.00 177.57 177.74 1rxc h VAL 246 N 0.38 1.26 -0.29 1.51 2.07 -1.45 -1.19 116.25 118.53 1rxc h VAL 246 Ca 0.03 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1rxc h VAL 246 Cb 0.89 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1rxc h VAL 246 CO 0.08 0.35 -0.13 -0.08 0.02 0.00 0.00 177.57 177.81 1rxc h GLU 247 N 0.70 0.50 -0.42 1.57 4.57 -1.13 -2.01 114.58 118.36 1rxc h GLU 247 Ca 0.14 -0.14 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1rxc h GLU 247 Cb 0.46 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1rxc h GLU 247 CO 0.02 0.62 -0.31 0.00 -1.18 0.00 0.00 179.01 178.16 1rxc h ALA 248 N 1.41 0.60 -0.94 2.92 0.00 -0.95 -2.76 119.26 119.54 1rxc h ALA 248 Ca 0.08 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1rxc h ALA 248 Cb 0.50 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1rxc h ALA 248 CO 0.03 0.65 0.61 0.00 0.00 0.00 0.00 179.25 180.54 1rxc h ALA 249 N 0.81 1.23 -0.65 0.00 0.00 -0.98 -1.74 119.26 117.93 1rxc h ALA 249 Ca 0.08 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1rxc h ALA 249 Cb 0.89 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1rxc h ALA 249 CO 0.08 0.50 0.28 -0.09 0.00 0.00 0.00 179.25 180.02 1rxc h ARG 250 N 1.20 0.48 0.00 0.00 9.65 -1.14 -2.05 114.38 122.51 1rxc h ARG 250 Ca 0.37 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1rxc h ARG 250 Cb -0.02 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1rxc h ARG 250 CO -0.11 0.32 0.00 0.54 2.80 0.00 0.00 179.97 183.51 1rxc n ARG 251 N -4.94 0.08 0.00 0.20 1.74 -0.69 -3.63 116.66 109.42 1rxc n ARG 251 Ca 0.09 0.21 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 1rxc n ARG 251 Cb 0.27 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.76 1.54 0.00 0.55 4.77 -0.79 -5.05 117.00 116.27 1rxc n LEU 252 Ca 0.05 -0.71 0.13 0.00 -0.03 0.00 0.00 56.01 55.44 1rxc n LEU 252 Cb 0.27 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.11 1rxc n LEU 252 CO 0.21 0.30 0.93 0.18 -1.33 0.00 0.00 177.39 177.69