#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxc n ASP 5 N 0.00 0.12 -4.18 -3.46 8.00 -0.52 -4.91 116.55 111.60 1rxc n ASP 5 Ca 0.00 0.20 -0.15 0.00 0.71 0.00 0.00 54.79 55.55 1rxc n ASP 5 Cb 0.00 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 1rxc n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxc s VAL 6 N -2.90 0.98 0.19 2.53 -7.23 -1.23 -5.05 120.40 107.69 1rxc s VAL 6 Ca 0.17 -1.63 0.15 0.00 -1.81 0.00 0.00 61.98 58.85 1rxc s VAL 6 Cb 0.19 -1.36 0.05 0.00 0.56 0.00 0.00 36.38 35.82 1rxc s VAL 6 CO 0.54 -0.53 1.65 0.15 -0.31 0.00 0.00 175.10 176.60 1rxc h PHE 7 N 3.58 0.00 0.00 2.82 3.57 -1.95 -3.38 116.94 121.59 1rxc h PHE 7 Ca -0.38 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 1rxc h PHE 7 Cb 1.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1rxc h PHE 7 CO 0.64 0.51 -1.15 0.72 -2.23 0.00 0.00 178.31 176.79 1rxc n HIS 8 N -3.62 0.00 0.23 0.41 8.25 -1.26 -4.82 115.22 114.41 1rxc n HIS 8 Ca -0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1rxc n HIS 8 Cb 0.58 -0.10 0.41 0.00 1.12 0.00 0.00 29.99 32.00 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 -0.04 0.00 -0.98 2.41 3.38 -1.93 -3.45 115.31 114.71 1rxc h LEU 9 Ca -0.06 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1rxc h LEU 9 Cb 1.08 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.89 1rxc h LEU 9 CO -0.02 0.12 -0.31 0.61 0.09 0.00 0.00 178.44 178.93 1rxc n GLY 10 N 0.49 0.26 3.30 0.83 0.00 -1.26 -4.69 105.19 104.12 1rxc n GLY 10 Ca 0.02 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.91 2.45 0.29 0.99 1.43 -1.26 -4.81 118.68 113.85 1rxc s LEU 11 Ca 0.26 -0.87 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1rxc s LEU 11 Cb -0.11 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 1rxc s LEU 11 CO 0.34 -0.10 -0.08 0.42 0.23 0.00 0.00 176.35 177.16 1rxc s THR 12 N -2.24 2.89 0.36 5.49 -4.23 -1.26 -1.44 115.64 115.21 1rxc s THR 12 Ca 0.15 -2.12 0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1rxc s THR 12 Cb -0.05 -2.62 0.32 0.00 1.34 0.00 0.00 72.50 71.49 1rxc s THR 12 CO 0.05 -0.34 1.89 0.50 -0.54 0.00 0.00 174.62 176.18 1rxc h LYS 13 N 2.02 0.65 -0.43 3.99 3.64 -1.95 -2.09 116.57 122.40 1rxc h LYS 13 Ca -0.42 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 1rxc h LYS 13 Cb 1.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1rxc h LYS 13 CO 0.62 0.43 0.03 -0.91 -2.27 0.00 0.00 179.45 177.35 1rxc h ASN 14 N 0.67 0.64 -0.90 4.20 -0.26 -1.96 -2.71 115.58 115.27 1rxc h ASN 14 Ca 0.42 -0.13 0.14 0.00 -0.56 0.00 0.00 56.30 56.16 1rxc h ASN 14 Cb 0.65 -0.17 -0.09 0.00 -1.06 0.00 0.00 38.32 37.66 1rxc h ASN 14 CO -0.18 0.69 0.51 0.44 -1.06 0.00 0.00 177.43 177.84 1rxc h ASP 15 N 0.65 0.68 0.93 5.81 3.32 -1.78 -2.72 116.42 123.32 1rxc h ASP 15 Ca 0.14 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1rxc h ASP 15 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1rxc h ASP 15 CO 0.01 0.32 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.60 1rxc h LEU 16 N 0.76 0.00 -1.27 1.55 4.07 -1.53 -3.48 115.31 115.41 1rxc h LEU 16 Ca 0.47 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 58.00 1rxc h LEU 16 Cb 0.59 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.37 1rxc h LEU 16 CO -0.32 0.18 -0.77 0.00 -1.08 0.00 0.00 178.44 176.45 1rxc n GLN 17 N -3.34 -5.82 -0.83 1.13 6.02 -1.03 -2.35 117.38 111.16 1rxc n GLN 17 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1rxc n GLN 17 Cb 0.40 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.18 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 -1.66 0.82 3.74 1.08 0.00 -1.26 -4.76 105.19 103.14 1rxc n GLY 18 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.49 2.47 -0.03 4.61 0.00 -0.99 -4.92 120.51 122.14 1rxc n ALA 19 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1rxc n ALA 19 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 1.99 0.00 -5.02 0.00 -2.24 -1.26 -4.24 114.28 103.50 1rxc n THR 20 Ca 0.08 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 1rxc n THR 20 Cb 0.37 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.12 1.97 -0.09 3.22 0.20 -1.26 0.37 118.68 122.98 1rxc s LEU 21 Ca 0.00 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1rxc s LEU 21 Cb 0.00 -1.17 0.01 0.00 -0.43 0.00 0.00 46.19 44.61 1rxc s LEU 21 CO 0.00 0.18 -0.14 0.00 -0.29 0.00 0.00 176.35 176.10 1rxc s ALA 22 N 0.07 1.46 -0.13 5.97 0.00 0.15 -1.48 121.76 127.80 1rxc s ALA 22 Ca -0.07 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 1rxc s ALA 22 Cb -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1rxc s ALA 22 CO 0.04 0.02 0.96 0.42 0.00 0.00 0.00 175.76 177.20 1rxc s ILE 23 N 0.84 4.80 -0.46 0.00 1.01 -0.18 -0.99 121.20 126.23 1rxc s ILE 23 Ca -0.11 1.93 0.03 0.00 0.00 0.00 0.00 60.65 62.51 1rxc s ILE 23 Cb -0.15 -4.27 0.13 0.00 0.01 0.00 0.00 42.46 38.18 1rxc s ILE 23 CO 0.01 0.00 0.21 0.68 0.00 0.00 0.00 174.94 175.85 1rxc s VAL 24 N 2.11 2.12 0.81 2.92 -7.23 0.37 -1.67 120.40 119.83 1rxc s VAL 24 Ca 0.45 -2.87 -0.12 0.00 -1.81 0.00 0.00 61.98 57.64 1rxc s VAL 24 Cb -0.18 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.35 1rxc s VAL 24 CO 0.16 -0.79 1.17 -2.16 -0.31 0.00 0.00 175.10 173.17 1rxc s PRO 25 N 0.16 1.94 -0.08 4.82 0.04 -1.24 -3.05 135.00 137.58 1rxc s PRO 25 Ca 0.16 0.13 -0.21 0.00 0.04 0.00 0.00 61.00 61.12 1rxc s PRO 25 Cb -0.24 -1.95 -0.29 0.00 0.04 0.00 0.00 34.50 32.06 1rxc s PRO 25 CO -0.02 -1.62 0.74 0.78 0.04 0.00 0.00 177.00 176.92 1rxc h GLY 26 N -1.07 0.27 -6.11 0.56 0.00 -1.87 -1.89 103.07 92.95 1rxc h GLY 26 Ca -0.46 -0.69 -0.59 0.00 0.00 0.00 0.00 47.33 45.58 1rxc h GLY 26 CO 0.66 0.60 -0.18 -0.35 0.00 0.00 0.00 176.54 177.28 1rxc s ASP 27 N -6.91 6.51 0.36 0.19 3.68 -1.26 -1.11 116.67 118.14 1rxc s ASP 27 Ca -0.17 0.60 0.09 0.00 2.13 0.00 0.00 52.55 55.21 1rxc s ASP 27 Cb 0.02 -2.25 0.83 0.00 -1.45 0.00 0.00 42.92 40.07 1rxc s ASP 27 CO 0.78 -0.06 1.89 1.55 0.13 0.00 0.00 175.17 179.47 1rxc h PRO 28 N 7.17 0.65 -0.37 4.34 0.13 -1.90 -1.66 132.00 140.36 1rxc h PRO 28 Ca -0.37 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 1rxc h PRO 28 Cb 1.16 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1rxc h PRO 28 CO 0.73 0.43 0.30 -0.44 -0.23 0.00 0.00 178.00 178.80 1rxc h ASP 29 N 0.67 0.00 1.48 1.44 3.32 -1.95 -2.20 116.42 119.18 1rxc h ASP 29 Ca 0.42 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1rxc h ASP 29 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1rxc h ASP 29 CO -0.18 0.00 -0.06 -0.09 -1.72 0.00 0.00 179.24 177.19 1rxc h ARG 30 N 0.00 0.00 -0.02 3.56 9.65 -1.71 -3.39 114.38 122.46 1rxc h ARG 30 Ca 0.18 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1rxc h ARG 30 Cb 0.78 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1rxc h ARG 30 CO -0.00 0.06 -0.00 0.28 2.80 0.00 0.00 179.97 183.11 1rxc h VAL 31 N 0.00 1.29 -0.92 0.20 2.07 -1.47 -2.94 116.25 114.48 1rxc h VAL 31 Ca -0.00 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.76 1rxc h VAL 31 Cb 0.82 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 1rxc h VAL 31 CO 0.01 0.23 0.55 -0.08 0.02 0.00 0.00 177.57 178.30 1rxc h GLU 32 N -0.31 0.88 -0.93 1.57 4.81 -1.77 -1.30 114.58 117.54 1rxc h GLU 32 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1rxc h GLU 32 Cb 0.38 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1rxc h GLU 32 CO 0.00 0.58 0.54 -0.22 -0.73 0.00 0.00 179.01 179.18 1rxc h LYS 33 N 0.90 1.27 -0.18 1.92 1.63 -1.76 -0.43 116.57 119.92 1rxc h LYS 33 Ca 0.45 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.96 1rxc h LYS 33 Cb 0.41 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1rxc h LYS 33 CO -0.25 0.90 -0.52 0.82 -3.45 0.00 0.00 179.45 176.94 1rxc h ILE 34 N 1.28 1.32 -0.38 2.00 2.04 -1.27 -3.25 117.51 119.25 1rxc h ILE 34 Ca 0.33 -1.76 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1rxc h ILE 34 Cb -0.03 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1rxc h ILE 34 CO -0.06 0.55 0.02 0.00 0.00 0.00 0.00 178.15 178.66 1rxc h ALA 35 N 0.57 1.32 0.00 1.87 0.00 -1.01 -2.88 119.26 119.14 1rxc h ALA 35 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rxc h ALA 35 Cb 1.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rxc h ALA 35 CO 0.11 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1rxc n ALA 36 N -2.47 1.88 0.38 0.00 0.00 -0.19 -1.80 120.51 118.31 1rxc n ALA 36 Ca 0.02 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1rxc n ALA 36 Cb 0.25 -1.42 0.49 0.00 0.00 0.00 0.00 19.45 18.76 1rxc n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rxc h LEU 37 N 0.00 0.00-10.47 0.00 4.07 -1.58 -3.46 115.31 103.88 1rxc h LEU 37 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1rxc h LEU 37 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1rxc h LEU 37 CO 0.00 0.00 -0.22 -0.04 -1.08 0.00 0.00 178.44 177.10 1rxc s MET 38 N -3.36 2.24 0.42 1.13 -1.94 -0.75 -5.13 119.30 111.91 1rxc s MET 38 Ca 0.05 -1.95 -0.11 0.00 -1.71 0.00 0.00 55.69 51.97 1rxc s MET 38 Cb 0.09 -2.25 -0.07 0.00 2.01 0.00 0.00 34.83 34.61 1rxc s MET 38 CO 0.52 -0.75 0.80 -0.51 -0.01 0.00 0.00 175.02 175.06 1rxc s ASP 39 N -4.43 6.54 -1.27 3.03 -0.00 -0.30 -4.53 116.67 115.71 1rxc s ASP 39 Ca 0.42 1.19 -0.25 0.00 -0.00 0.00 0.00 52.55 53.91 1rxc s ASP 39 Cb -0.03 -2.35 0.03 0.00 -0.00 0.00 0.00 42.92 40.57 1rxc s ASP 39 CO 0.26 -0.42 0.57 0.29 -0.00 0.00 0.00 175.17 175.88 1rxc n LYS 40 N -1.31 -0.71 -2.01 8.23 5.02 -1.26 -0.13 118.16 125.99 1rxc n LYS 40 Ca 0.03 0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 1rxc n LYS 40 Cb 0.54 -3.08 -0.02 0.00 -0.02 0.00 0.00 35.03 32.45 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 -7.15 4.27 -0.05 1.97 0.04 -1.26 -4.34 135.00 128.48 1rxc s PRO 41 Ca 0.38 2.33 -0.02 0.00 0.04 0.00 0.00 61.00 63.72 1rxc s PRO 41 Cb -0.19 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.32 1rxc s PRO 41 CO 0.96 -0.35 0.10 0.08 0.04 0.00 0.00 177.00 177.82 1rxc s VAL 42 N -0.67 -0.12 0.17 -0.36 1.01 0.16 -4.99 120.40 115.60 1rxc s VAL 42 Ca 0.54 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1rxc s VAL 42 Cb -0.42 -0.19 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 1rxc s VAL 42 CO 0.51 0.12 1.33 -0.75 0.00 0.00 0.00 175.10 176.32 1rxc s LYS 43 N 1.68 4.37 -0.16 2.72 2.20 -1.26 -0.96 119.74 128.33 1rxc s LYS 43 Ca -0.02 2.06 0.02 0.00 -0.36 0.00 0.00 55.97 57.66 1rxc s LYS 43 Cb -0.12 -3.21 -0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1rxc s LYS 43 CO -0.04 -0.31 -0.13 1.28 -0.36 0.00 0.00 175.35 175.79 1rxc n LEU 44 N 3.02 2.83 -3.54 5.43 4.77 -0.25 -4.90 117.00 124.36 1rxc n LEU 44 Ca 0.08 -0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1rxc n LEU 44 Cb 0.43 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1rxc n LEU 44 CO 0.58 0.75 0.79 0.00 -1.33 0.00 0.00 177.39 178.18 1rxc s ALA 45 N -2.32 -1.90 -0.21 -1.18 0.00 -1.01 -5.00 121.76 110.13 1rxc s ALA 45 Ca -0.21 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 1rxc s ALA 45 Cb 0.05 0.25 0.11 0.00 0.00 0.00 0.00 23.12 23.53 1rxc s ALA 45 CO 0.38 -0.67 0.41 0.45 0.00 0.00 0.00 175.76 176.33 1rxc s SER 46 N -2.40 -0.15 -0.10 0.00 0.15 -1.26 -1.41 113.70 108.52 1rxc s SER 46 Ca 0.07 0.77 -0.04 0.00 0.70 0.00 0.00 55.95 57.45 1rxc s SER 46 Cb -0.01 1.31 0.05 0.00 -1.71 0.00 0.00 66.02 65.66 1rxc s SER 46 CO -0.07 -0.25 0.21 -1.00 1.20 0.00 0.00 173.24 173.33 1rxc s HIS 47 N 2.60 -0.30 0.00 3.44 3.76 -0.73 -5.00 115.29 119.07 1rxc s HIS 47 Ca 0.03 0.76 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 1rxc s HIS 47 Cb -0.13 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1rxc s HIS 47 CO -0.14 -0.27 0.00 0.54 -0.85 0.00 0.00 174.74 174.02 1rxc n ARG 48 N 4.85 0.00 -0.41 1.40 1.74 -1.26 -1.00 116.66 121.98 1rxc n ARG 48 Ca -0.14 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.00 1rxc n ARG 48 Cb 0.51 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.20 1rxc n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rxc n GLU 49 N 14.00 2.82 -3.39 5.56 -0.58 -1.26 -4.76 120.64 133.03 1rxc n GLU 49 Ca 0.00 -1.97 -0.45 0.00 -0.42 0.00 0.00 57.16 54.32 1rxc n GLU 49 Cb 0.00 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.16 1rxc n GLU 49 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1rxc s PHE 50 N -1.70 3.53 -0.19 -0.32 2.99 -0.17 -3.84 117.98 118.28 1rxc s PHE 50 Ca 0.36 -1.84 -0.09 0.00 0.00 0.00 0.00 56.93 55.35 1rxc s PHE 50 Cb 0.22 -3.71 -0.05 0.00 0.00 0.00 0.00 43.02 39.49 1rxc s PHE 50 CO 0.18 -0.98 0.10 0.99 -0.00 0.00 0.00 175.22 175.51 1rxc s THR 51 N 0.72 5.15 -0.12 0.64 2.01 -1.26 -1.77 115.64 121.01 1rxc s THR 51 Ca 0.12 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1rxc s THR 51 Cb -0.19 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1rxc s THR 51 CO -0.04 0.46 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.31 1rxc s THR 52 N 0.24 1.56 0.15 -0.82 2.01 -0.50 -1.78 115.64 116.49 1rxc s THR 52 Ca 0.07 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.48 1rxc s THR 52 Cb -0.12 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1rxc s THR 52 CO -0.01 0.45 -0.11 0.26 -0.69 0.00 0.00 174.62 174.52 1rxc s TRP 53 N 1.08 2.64 0.05 4.92 0.52 -0.25 -1.09 118.94 126.82 1rxc s TRP 53 Ca -0.04 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 55.89 1rxc s TRP 53 Cb -0.14 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 1rxc s TRP 53 CO -0.04 0.46 0.04 0.50 0.02 0.00 0.00 176.95 177.94 1rxc s ARG 54 N -2.52 2.81 0.00 4.98 3.52 -0.14 -1.13 118.95 126.47 1rxc s ARG 54 Ca 0.22 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1rxc s ARG 54 Cb -0.10 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 1rxc s ARG 54 CO 0.14 0.59 0.00 0.00 -0.81 0.00 0.00 175.30 175.21 1rxc n ALA 55 N 0.80 0.00 -3.59 6.12 0.00 -0.42 -0.67 120.51 122.75 1rxc n ALA 55 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1rxc n ALA 55 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1rxc n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxc s GLU 56 N -1.65 0.00 -0.10 0.00 2.12 0.82 -1.68 118.70 118.21 1rxc s GLU 56 Ca 0.00 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1rxc s GLU 56 Cb 0.00 -0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.23 1rxc s GLU 56 CO 0.00 -0.14 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.33 1rxc s LEU 57 N 0.88 1.27 -1.64 2.70 2.96 -0.49 -1.15 118.68 123.20 1rxc s LEU 57 Ca -0.07 -0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1rxc s LEU 57 Cb -0.10 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.84 1rxc s LEU 57 CO -0.03 -0.09 0.30 0.47 -1.32 0.00 0.00 176.35 175.68 1rxc n ASP 58 N 4.72 -0.41 0.00 3.68 8.00 -1.26 -1.20 116.55 130.09 1rxc n ASP 58 Ca -0.15 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1rxc n ASP 58 Cb 0.50 -1.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 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 -1.96 0.87 3.33 0.44 0.00 -1.26 -5.04 105.19 101.57 1rxc n GLY 59 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.16 2.25 0.44 1.61 -0.14 -0.34 -5.09 119.74 118.31 1rxc s LYS 60 Ca 0.00 -0.89 -0.24 0.00 -1.36 0.00 0.00 55.97 53.48 1rxc s LYS 60 Cb 0.00 -2.12 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 1rxc s LYS 60 CO 0.00 0.54 1.23 -1.25 -0.76 0.00 0.00 175.35 175.11 1rxc s PRO 61 N -0.55 3.79 -0.02 -1.68 0.04 -1.26 -1.40 135.00 133.92 1rxc s PRO 61 Ca 0.08 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1rxc s PRO 61 Cb -0.11 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.91 1rxc s PRO 61 CO -0.00 -0.57 0.28 0.08 0.04 0.00 0.00 177.00 176.83 1rxc s VAL 62 N -1.40 0.05 0.00 -0.36 1.01 -0.67 -4.40 120.40 114.63 1rxc s VAL 62 Ca 0.61 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1rxc s VAL 62 Cb -0.33 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1rxc s VAL 62 CO 0.41 -0.25 -0.15 -0.63 0.00 0.00 0.00 175.10 174.49 1rxc s ILE 63 N -1.16 3.03 -0.14 2.22 -1.09 -0.55 -1.30 121.20 122.21 1rxc s ILE 63 Ca -0.12 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.37 1rxc s ILE 63 Cb -0.05 -2.25 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 1rxc s ILE 63 CO 0.03 0.44 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.29 1rxc s VAL 64 N -0.87 1.93 -0.08 2.92 1.01 -0.29 -1.01 120.40 124.02 1rxc s VAL 64 Ca 0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1rxc s VAL 64 Cb -0.11 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1rxc s VAL 64 CO 0.04 0.52 0.18 0.00 0.00 0.00 0.00 175.10 175.85 1rxc s SER 66 N 1.50 6.63 -0.02 0.00 1.04 -0.73 -3.70 113.70 118.43 1rxc s SER 66 Ca -0.06 1.43 0.16 0.00 0.48 0.00 0.00 55.95 57.96 1rxc s SER 66 Cb -0.11 -2.45 -0.25 0.00 0.10 0.00 0.00 66.02 63.32 1rxc s SER 66 CO -0.07 -0.48 0.39 0.35 0.98 0.00 0.00 173.24 174.41 1rxc n THR 67 N -1.32 0.00 -4.01 2.02 -2.24 -0.71 -4.45 114.28 103.57 1rxc n THR 67 Ca 0.05 -0.35 0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1rxc n THR 67 Cb 0.54 0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.55 -1.64 3.73 3.38 0.00 -0.26 -3.65 105.19 108.31 1rxc n GLY 68 Ca -0.02 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.18 5.00 0.00 -0.61 1.01 -1.26 -4.77 121.20 120.39 1rxc s ILE 69 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 60.65 61.98 1rxc s ILE 69 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1rxc s ILE 69 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1rxc n GLY 70 N 2.88 0.59 0.11 6.18 0.00 -1.26 -4.46 105.19 109.23 1rxc n GLY 70 Ca -0.04 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 0.30 0.18 -0.02 0.00 -1.86 -1.84 103.07 99.83 1rxc h GLY 71 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.26 1rxc h GLY 71 CO 0.00 0.12 -0.26 -2.55 0.00 0.00 0.00 176.54 173.85 1rxc h PRO 72 N 0.25 -0.29 -0.92 4.80 0.11 -1.94 0.24 132.00 134.26 1rxc h PRO 72 Ca 0.07 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1rxc h PRO 72 Cb 0.02 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1rxc h PRO 72 CO -0.01 -0.19 0.55 1.03 -0.21 0.00 0.00 178.00 179.17 1rxc h SER 73 N -0.30 1.10 -0.84 -2.05 0.87 -1.77 -2.48 113.55 108.08 1rxc h SER 73 Ca 0.12 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1rxc h SER 73 Cb 0.48 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1rxc h SER 73 CO -0.36 0.84 0.46 0.74 -0.53 0.00 0.00 176.83 177.99 1rxc h THR 74 N 1.26 1.25 -0.08 2.23 2.02 -0.59 -2.81 112.91 116.18 1rxc h THR 74 Ca 0.33 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 1rxc h THR 74 Cb -0.05 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1rxc h THR 74 CO -0.06 0.27 -0.48 0.77 0.37 0.00 0.00 175.52 176.39 1rxc h SER 75 N 1.18 0.23 -0.44 4.18 4.64 -0.10 -1.54 113.55 121.70 1rxc h SER 75 Ca 0.30 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1rxc h SER 75 Cb 0.02 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1rxc h SER 75 CO -0.05 0.68 0.03 0.40 -0.87 0.00 0.00 176.83 177.02 1rxc h ILE 76 N 0.17 1.26 -0.14 0.95 2.04 -1.26 -2.21 117.51 118.33 1rxc h ILE 76 Ca 0.01 -0.98 -0.21 0.00 1.00 0.00 0.00 64.86 64.67 1rxc h ILE 76 Cb 0.92 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1rxc h ILE 76 CO 0.07 0.34 -0.76 0.00 0.00 0.00 0.00 178.15 177.81 1rxc h ALA 77 N 0.92 0.40 -0.29 1.87 0.00 -1.23 -2.24 119.26 118.69 1rxc h ALA 77 Ca 0.13 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1rxc h ALA 77 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rxc h ALA 77 CO 0.02 0.71 -0.55 0.28 0.00 0.00 0.00 179.25 179.70 1rxc h VAL 78 N 0.47 1.27 -0.32 0.00 2.07 -1.34 -1.57 116.25 116.83 1rxc h VAL 78 Ca -0.04 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1rxc h VAL 78 Cb 1.37 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1rxc h VAL 78 CO 0.15 0.57 0.16 -0.08 0.02 0.00 0.00 177.57 178.39 1rxc h GLU 79 N 0.67 0.45 0.09 1.57 4.57 -1.37 -1.53 114.58 119.03 1rxc h GLU 79 Ca 0.01 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 57.88 1rxc h GLU 79 Cb 1.16 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1rxc h GLU 79 CO 0.12 0.40 -1.14 0.93 -1.18 0.00 0.00 179.01 178.14 1rxc h GLU 80 N 0.38 0.32 -0.92 1.92 5.08 -1.38 -1.87 114.58 118.11 1rxc h GLU 80 Ca 0.11 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1rxc h GLU 80 Cb 0.09 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1rxc h GLU 80 CO -0.02 1.18 0.61 -0.07 -1.00 0.00 0.00 179.01 179.71 1rxc h LEU 81 N 0.13 1.04 -0.71 1.33 3.38 -1.28 -2.51 115.31 116.68 1rxc h LEU 81 Ca -0.12 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1rxc h LEU 81 Cb 1.83 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1rxc h LEU 81 CO 0.19 0.74 -0.23 0.00 0.09 0.00 0.00 178.44 179.23 1rxc h ALA 82 N 1.44 0.89 -0.05 1.53 0.00 -0.95 -1.70 119.26 120.41 1rxc h ALA 82 Ca 0.35 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rxc h ALA 82 Cb -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1rxc h ALA 82 CO -0.09 0.62 0.04 1.96 0.00 0.00 0.00 179.25 181.79 1rxc h GLN 83 N 0.65 0.00 -0.01 0.00 4.20 -0.97 -2.35 115.11 116.63 1rxc h GLN 83 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1rxc h GLN 83 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1rxc h GLN 83 CO 0.06 0.00 -0.09 1.28 -0.67 0.00 0.00 178.83 179.41 1rxc n LEU 84 N -4.27 1.42 0.00 1.46 4.77 -0.70 -4.94 117.00 114.74 1rxc n LEU 84 Ca -0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1rxc n LEU 84 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1rxc n LEU 84 CO 0.32 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1rxc n GLY 85 N 1.24 0.98 3.68 -0.72 0.00 -0.88 -4.81 105.19 104.68 1rxc n GLY 85 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 4.41 -0.32 -0.61 -1.09 -0.85 -4.30 121.20 116.44 1rxc s ILE 86 Ca 0.00 1.71 0.08 0.00 -2.23 0.00 0.00 60.65 60.21 1rxc s ILE 86 Cb 0.00 -4.10 -0.09 0.00 -1.58 0.00 0.00 42.46 36.69 1rxc s ILE 86 CO 0.00 -0.04 0.30 0.54 -1.23 0.00 0.00 174.94 174.51 1rxc n ARG 87 N 5.50 3.99 -4.48 2.79 5.12 0.16 -4.26 116.66 125.47 1rxc n ARG 87 Ca 0.11 -0.01 -0.23 0.00 -1.93 0.00 0.00 57.85 55.79 1rxc n ARG 87 Cb 0.46 -0.90 -0.16 0.00 -1.16 0.00 0.00 32.46 30.71 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 -1.81 0.97 -0.18 0.55 2.01 -0.65 -1.08 115.64 115.44 1rxc s THR 88 Ca 0.02 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1rxc s THR 88 Cb 0.06 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.72 1rxc s THR 88 CO 0.31 0.31 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.15 1rxc s PHE 89 N 0.58 1.76 -0.39 4.92 0.08 0.55 -0.68 117.98 124.81 1rxc s PHE 89 Ca -0.11 -1.16 -0.09 0.00 0.12 0.00 0.00 56.93 55.68 1rxc s PHE 89 Cb -0.14 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.02 1rxc s PHE 89 CO 0.02 -0.64 0.21 -0.51 -0.10 0.00 0.00 175.22 174.20 1rxc s LEU 90 N 1.61 4.82 0.06 -0.37 1.43 -0.16 -1.86 118.68 124.22 1rxc s LEU 90 Ca -0.00 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.58 1rxc s LEU 90 Cb -0.16 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1rxc s LEU 90 CO -0.08 -0.44 1.02 -0.60 0.23 0.00 0.00 176.35 176.49 1rxc s ARG 91 N 1.48 4.59 -0.04 1.70 3.00 -0.49 -0.48 118.95 128.70 1rxc s ARG 91 Ca 0.02 1.52 0.04 0.00 -1.00 0.00 0.00 55.73 56.31 1rxc s ARG 91 Cb -0.21 -3.39 -0.00 0.00 0.00 0.00 0.00 34.95 31.34 1rxc s ARG 91 CO 0.04 0.01 -0.17 -1.50 0.00 0.00 0.00 175.30 173.69 1rxc s ILE 92 N 0.56 1.38 0.05 4.11 1.10 -1.17 -2.09 121.20 125.13 1rxc s ILE 92 Ca 0.51 -0.70 -0.03 0.00 -0.51 0.00 0.00 60.65 59.93 1rxc s ILE 92 Cb -0.24 -1.18 0.01 0.00 0.15 0.00 0.00 42.46 41.20 1rxc s ILE 92 CO 0.30 0.40 0.13 0.61 -2.11 0.00 0.00 174.94 174.26 1rxc n GLY 93 N 3.08 1.63 3.40 1.50 0.00 -1.07 -4.10 105.19 109.63 1rxc n GLY 93 Ca -0.18 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.74 2.18 0.14 2.61 -4.23 -1.26 -1.63 115.64 110.70 1rxc s THR 94 Ca 0.03 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.31 1rxc s THR 94 Cb -0.01 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.78 1rxc s THR 94 CO 0.01 -0.27 0.38 0.28 -0.54 0.00 0.00 174.62 174.48 1rxc s THR 95 N -2.05 0.07 0.99 3.99 -1.32 -0.55 -4.90 115.64 111.87 1rxc s THR 95 Ca 0.21 -0.85 -0.17 0.00 -1.21 0.00 0.00 61.69 59.68 1rxc s THR 95 Cb -0.06 -1.40 0.22 0.00 -1.51 0.00 0.00 72.50 69.75 1rxc s THR 95 CO 0.10 -0.32 1.34 -0.83 -2.21 0.00 0.00 174.62 172.69 1rxc s GLY 96 N -2.86 1.80 0.20 6.08 0.00 -1.26 -1.59 107.32 109.70 1rxc s GLY 96 Ca 0.07 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1rxc s GLY 96 CO -0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 173.10 172.52 1rxc s ALA 97 N -3.91 1.73 -0.04 3.20 0.00 -0.76 -4.48 121.76 117.50 1rxc s ALA 97 Ca 0.75 -1.68 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1rxc s ALA 97 Cb -0.03 0.30 0.10 0.00 0.00 0.00 0.00 23.12 23.48 1rxc s ALA 97 CO 0.54 -0.17 1.02 0.44 0.00 0.00 0.00 175.76 177.58 1rxc n ILE 98 N -0.35 1.20 -4.94 0.00 -5.35 0.09 -3.42 119.36 106.58 1rxc n ILE 98 Ca -0.07 -1.32 -0.33 0.00 -0.27 0.00 0.00 62.75 60.76 1rxc n ILE 98 Cb 0.63 0.28 -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 -1.53 2.76 0.55 6.28 -1.52 -1.24 -4.86 119.66 120.10 1rxc s GLN 99 Ca 0.11 -0.74 0.33 0.00 -1.95 0.00 0.00 55.36 53.11 1rxc s GLN 99 Cb 0.09 -2.40 1.55 0.00 -0.22 0.00 0.00 33.01 32.03 1rxc s GLN 99 CO 0.01 0.46 2.07 -1.00 -0.25 0.00 0.00 175.29 176.57 1rxc h PRO 100 N 5.87 0.00 0.00 2.91 0.13 -1.95 -2.99 132.00 135.97 1rxc h PRO 100 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1rxc h PRO 100 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rxc h PRO 100 CO 0.51 0.06 0.00 1.12 -0.23 0.00 0.00 178.00 179.46 1rxc h HIS 101 N 0.00 0.00 -3.48 1.56 2.07 -2.00 -3.44 115.15 109.86 1rxc h HIS 101 Ca -0.00 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.91 1rxc h HIS 101 Cb 0.39 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.26 1rxc h HIS 101 CO 0.00 0.00 0.27 0.42 -3.07 0.00 0.00 177.93 175.55 1rxc s ILE 102 N -3.11 4.86 0.17 6.12 1.01 -1.13 -5.06 121.20 124.07 1rxc s ILE 102 Ca 0.10 1.02 0.02 0.00 0.00 0.00 0.00 60.65 61.80 1rxc s ILE 102 Cb 0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1rxc s ILE 102 CO 0.60 -0.20 0.32 0.20 0.00 0.00 0.00 174.94 175.86 1rxc s ASN 103 N 1.63 6.34 0.21 3.58 0.02 -1.26 -4.88 114.94 120.58 1rxc s ASN 103 Ca 0.29 0.19 -0.32 0.00 -1.02 0.00 0.00 52.86 52.00 1rxc s ASN 103 Cb -0.14 -1.92 -0.13 0.00 0.02 0.00 0.00 41.25 39.07 1rxc s ASN 103 CO 0.12 0.01 1.54 0.52 0.02 0.00 0.00 177.10 179.32 1rxc n VAL 104 N -0.71 0.45 0.00 1.60 0.31 -1.26 -1.60 118.33 117.12 1rxc n VAL 104 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1rxc n VAL 104 Cb 0.54 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 2.90 3.16 3.76 2.92 0.00 -0.30 -5.02 105.19 112.61 1rxc n GLY 105 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.17 3.80 -0.05 1.61 -0.00 -0.63 -4.76 116.67 115.47 1rxc s ASP 106 Ca 0.00 1.32 0.06 0.00 -0.00 0.00 0.00 52.55 53.93 1rxc s ASP 106 Cb 0.00 -2.01 -0.01 0.00 -0.00 0.00 0.00 42.92 40.90 1rxc s ASP 106 CO 0.00 -2.41 -0.24 -0.69 -0.00 0.00 0.00 175.17 171.84 1rxc s VAL 107 N -3.07 1.94 -0.18 -1.27 1.01 -0.76 -1.47 120.40 116.61 1rxc s VAL 107 Ca 0.63 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1rxc s VAL 107 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1rxc s VAL 107 CO 0.55 0.54 -0.07 -0.76 0.00 0.00 0.00 175.10 175.37 1rxc s LEU 108 N -0.16 2.93 -0.17 3.92 1.43 0.75 -0.90 118.68 126.47 1rxc s LEU 108 Ca -0.03 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1rxc s LEU 108 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1rxc s LEU 108 CO 0.03 0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 175.97 1rxc s VAL 109 N 0.88 3.85 -0.27 -1.59 1.01 -0.20 -0.75 120.40 123.33 1rxc s VAL 109 Ca -0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1rxc s VAL 109 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1rxc s VAL 109 CO 0.01 0.47 0.22 -0.89 0.00 0.00 0.00 175.10 174.91 1rxc s THR 110 N 0.59 5.29 0.01 3.92 2.01 -0.56 -2.03 115.64 124.87 1rxc s THR 110 Ca -0.02 0.24 0.11 0.00 0.31 0.00 0.00 61.69 62.33 1rxc s THR 110 Cb -0.14 -3.56 -0.18 0.00 0.01 0.00 0.00 72.50 68.63 1rxc s THR 110 CO 0.02 0.25 1.05 0.71 -0.69 0.00 0.00 174.62 175.96 1rxc h THR 111 N 5.33 1.22 -1.72 -0.82 1.35 -1.61 -3.40 112.91 113.26 1rxc h THR 111 Ca -0.35 -2.92 0.23 0.00 -0.55 0.00 0.00 66.41 62.82 1rxc h THR 111 Cb 1.18 2.58 -0.16 0.00 -1.73 0.00 0.00 68.15 70.03 1rxc h THR 111 CO 0.58 0.69 0.72 0.00 -0.25 0.00 0.00 175.52 177.26 1rxc s ALA 112 N -2.72 -2.02 -0.02 6.62 0.00 -1.25 -1.53 121.76 120.85 1rxc s ALA 112 Ca -0.01 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.20 1rxc s ALA 112 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1rxc s ALA 112 CO 0.81 -0.74 -0.22 -1.12 0.00 0.00 0.00 175.76 174.50 1rxc s SER 113 N -2.46 2.56 0.13 0.00 0.01 -0.26 -1.41 113.70 112.26 1rxc s SER 113 Ca 0.10 -0.39 -0.31 0.00 1.31 0.00 0.00 55.95 56.65 1rxc s SER 113 Cb 0.00 -0.30 -0.09 0.00 0.21 0.00 0.00 66.02 65.84 1rxc s SER 113 CO -0.05 0.27 1.50 -0.69 0.41 0.00 0.00 173.24 174.68 1rxc s VAL 114 N -0.49 2.96 -1.01 3.43 1.01 0.15 -4.41 120.40 122.04 1rxc s VAL 114 Ca 0.08 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1rxc s VAL 114 Cb -0.09 -3.42 0.18 0.00 0.00 0.00 0.00 36.38 33.05 1rxc s VAL 114 CO -0.01 0.04 1.14 -0.13 0.00 0.00 0.00 175.10 176.14 1rxc s ARG 115 N 1.33 3.81 -0.59 2.72 0.52 -1.26 -1.42 118.95 124.05 1rxc s ARG 115 Ca 0.68 -2.31 -0.00 0.00 -0.52 0.00 0.00 55.73 53.58 1rxc s ARG 115 Cb -0.40 -4.81 0.48 0.00 0.52 0.00 0.00 34.95 30.73 1rxc s ARG 115 CO 0.31 -1.61 1.91 1.28 0.02 0.00 0.00 175.30 177.21 1rxc n LEU 116 N 5.29 7.20 -4.60 2.53 4.77 -0.22 -4.97 117.00 127.00 1rxc n LEU 116 Ca 0.25 -4.26 -0.28 0.00 -0.03 0.00 0.00 56.01 51.70 1rxc n LEU 116 Cb 0.46 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1rxc n LEU 116 CO 0.50 1.49 -0.24 1.51 -1.33 0.00 0.00 177.39 179.32 1rxc s ASP 117 N -2.00 3.33 -0.19 -1.43 -4.77 -1.22 -1.57 116.67 108.82 1rxc s ASP 117 Ca 0.62 -1.57 0.07 0.00 -3.30 0.00 0.00 52.55 48.37 1rxc s ASP 117 Cb 0.49 0.27 -0.16 0.00 -1.09 0.00 0.00 42.92 42.43 1rxc s ASP 117 CO 0.01 -0.77 -0.09 0.61 0.70 0.00 0.00 175.17 175.63 1rxc n GLY 118 N -1.00 -0.48 0.23 2.12 0.00 -1.26 -4.64 105.19 100.16 1rxc n GLY 118 Ca -0.10 -0.19 0.01 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 0.31 1.42 -0.40 4.61 0.00 -1.98 -2.43 119.26 120.79 1rxc h ALA 119 Ca -0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1rxc h ALA 119 Cb 1.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1rxc h ALA 119 CO -0.03 0.40 0.14 0.66 0.00 0.00 0.00 179.25 180.42 1rxc h SER 120 N 0.24 0.52 0.24 0.00 4.64 -1.85 -2.02 113.55 115.32 1rxc h SER 120 Ca 0.04 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1rxc h SER 120 Cb 0.45 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1rxc h SER 120 CO 0.03 0.49 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.37 1rxc h LEU 121 N 0.57 0.00 0.00 5.97 3.38 -1.55 -1.21 115.31 122.47 1rxc h LEU 121 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rxc h LEU 121 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1rxc h LEU 121 CO -0.01 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.97 1rxc n HIS 122 N -3.43 0.00 -0.04 1.13 8.25 -0.76 -3.91 115.22 116.47 1rxc n HIS 122 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1rxc n HIS 122 Cb 0.15 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 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 -1.38 0.00 -3.68 4.41 3.72 -0.51 -5.08 117.46 114.94 1rxc n PHE 123 Ca 0.10 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 1rxc n PHE 123 Cb 0.24 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.16 -1.15 0.93 4.37 0.00 -0.85 -5.01 121.76 117.89 1rxc s ALA 124 Ca -0.07 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 1rxc s ALA 124 Cb 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.17 1rxc s ALA 124 CO 0.23 -0.29 1.11 -1.25 0.00 0.00 0.00 175.76 175.56 1rxc s PRO 125 N -0.96 0.94 0.41 0.00 0.04 -1.26 -3.94 135.00 130.23 1rxc s PRO 125 Ca -0.10 1.23 0.12 0.00 0.04 0.00 0.00 61.00 62.29 1rxc s PRO 125 Cb -0.03 -1.74 0.95 0.00 0.04 0.00 0.00 34.50 33.72 1rxc s PRO 125 CO 0.05 -2.58 1.96 1.25 0.04 0.00 0.00 177.00 177.72 1rxc h LEU 126 N -1.81 0.46 -2.29 -3.56 5.85 -1.93 -1.75 115.31 110.27 1rxc h LEU 126 Ca -0.48 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1rxc h LEU 126 Cb 1.28 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1rxc h LEU 126 CO 0.47 0.27 -0.03 1.05 -0.34 0.00 0.00 178.44 179.87 1rxc h GLU 127 N 0.51 0.00 -6.76 1.25 9.09 -2.03 -3.43 114.58 113.21 1rxc h GLU 127 Ca 0.31 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.20 1rxc h GLU 127 Cb 0.55 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.69 1rxc h GLU 127 CO -0.10 0.03 0.66 0.12 0.05 0.00 0.00 179.01 179.77 1rxc s PHE 128 N -4.62 3.16 0.01 2.06 5.36 -0.66 -4.98 117.98 118.31 1rxc s PHE 128 Ca -0.05 1.26 -0.26 0.00 -0.96 0.00 0.00 56.93 56.93 1rxc s PHE 128 Cb 0.15 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 39.13 1rxc s PHE 128 CO 0.57 -1.96 0.82 -1.25 -1.46 0.00 0.00 175.22 171.94 1rxc s PRO 129 N -0.75 4.52 -1.44 10.12 0.04 -1.26 -4.95 135.00 141.27 1rxc s PRO 129 Ca 0.54 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1rxc s PRO 129 Cb -0.38 -3.41 0.04 0.00 0.04 0.00 0.00 34.50 30.79 1rxc s PRO 129 CO 0.44 0.13 2.16 0.00 0.04 0.00 0.00 177.00 179.77 1rxc n ALA 130 N 3.37 5.28 -2.75 8.56 0.00 -1.26 -4.79 120.51 128.92 1rxc n ALA 130 Ca 0.01 -3.88 -0.35 0.00 0.00 0.00 0.00 53.44 49.22 1rxc n ALA 130 Cb 0.51 -3.55 -0.08 0.00 0.00 0.00 0.00 19.45 16.33 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 3.34 4.67 0.61 0.00 0.11 -1.26 -1.10 120.40 126.76 1rxc s VAL 131 Ca 0.48 -0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 1rxc s VAL 131 Cb 0.13 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1rxc s VAL 131 CO -0.07 0.52 1.05 0.00 -3.33 0.00 0.00 175.10 173.27 1rxc s ALA 132 N -1.02 2.77 0.22 1.54 0.00 -0.58 -4.67 121.76 120.02 1rxc s ALA 132 Ca 0.17 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1rxc s ALA 132 Cb -0.12 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1rxc s ALA 132 CO 0.07 -0.86 1.18 0.34 0.00 0.00 0.00 175.76 176.49 1rxc s ASP 133 N -3.15 7.10 0.17 0.00 -1.08 0.89 -4.95 116.67 115.65 1rxc s ASP 133 Ca 0.61 2.29 -0.10 0.00 -0.52 0.00 0.00 52.55 54.82 1rxc s ASP 133 Cb -0.15 -2.62 0.06 0.00 -1.46 0.00 0.00 42.92 38.76 1rxc s ASP 133 CO 0.42 -0.33 1.65 0.15 0.52 0.00 0.00 175.17 177.58 1rxc h PHE 134 N 4.71 1.07 -0.60 -5.34 3.04 -1.96 -0.69 116.94 117.18 1rxc h PHE 134 Ca -0.45 -0.16 -0.09 0.00 3.98 0.00 0.00 57.97 61.24 1rxc h PHE 134 Cb 1.21 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 1rxc h PHE 134 CO 0.61 0.94 0.02 0.93 -2.02 0.00 0.00 178.31 178.78 1rxc h GLU 135 N 0.90 1.04 0.06 1.11 5.08 -1.96 -0.41 114.58 120.40 1rxc h GLU 135 Ca 0.18 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1rxc h GLU 135 Cb 0.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1rxc h GLU 135 CO 0.02 1.00 -0.03 0.00 -1.00 0.00 0.00 179.01 179.00 1rxc h THR 137 N -0.27 1.08 -0.16 0.00 2.02 -1.07 -1.85 112.91 112.66 1rxc h THR 137 Ca -0.01 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1rxc h THR 137 Cb 0.24 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1rxc h THR 137 CO 0.01 0.19 0.07 0.74 0.37 0.00 0.00 175.52 176.90 1rxc h THR 138 N 1.02 0.99 -0.31 3.16 2.02 -0.95 -1.76 112.91 117.08 1rxc h THR 138 Ca 0.37 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 1rxc h THR 138 Cb 0.11 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1rxc h THR 138 CO -0.15 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 175.76 1rxc h ALA 139 N 1.08 1.41 -0.05 6.16 0.00 -0.63 -1.04 119.26 126.19 1rxc h ALA 139 Ca 0.06 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1rxc h ALA 139 Cb 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rxc h ALA 139 CO -0.05 0.42 -0.87 -0.07 0.00 0.00 0.00 179.25 178.68 1rxc h LEU 140 N 0.47 0.66 -0.19 0.00 3.38 -1.20 0.39 115.31 118.82 1rxc h LEU 140 Ca 0.10 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 1rxc h LEU 140 Cb 0.32 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rxc h LEU 140 CO 0.01 1.27 -0.36 0.58 0.09 0.00 0.00 178.44 180.03 1rxc h VAL 141 N 0.33 1.33 0.00 1.22 2.07 -0.99 0.02 116.25 120.23 1rxc h VAL 141 Ca -0.07 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 65.74 1rxc h VAL 141 Cb 1.49 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1rxc h VAL 141 CO 0.16 0.49 -0.57 -0.33 0.02 0.00 0.00 177.57 177.34 1rxc h GLU 142 N 0.24 0.00 -0.36 1.57 5.08 -1.25 -1.53 114.58 118.34 1rxc h GLU 142 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1rxc h GLU 142 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1rxc h GLU 142 CO 0.08 0.57 -0.42 0.00 -1.00 0.00 0.00 179.01 178.24 1rxc h ALA 143 N 1.43 0.57 -0.20 3.43 0.00 -0.82 -1.87 119.26 121.80 1rxc h ALA 143 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1rxc h ALA 143 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1rxc h ALA 143 CO 0.07 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.80 1rxc h ALA 144 N 0.78 1.29 0.00 0.00 0.00 -0.75 -2.55 119.26 118.03 1rxc h ALA 144 Ca 0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1rxc h ALA 144 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1rxc h ALA 144 CO 0.10 0.47 -0.72 -0.22 0.00 0.00 0.00 179.25 178.89 1rxc h LYS 145 N 0.32 0.00 -0.20 0.00 3.11 -1.17 -2.34 116.57 116.30 1rxc h LYS 145 Ca 0.06 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.76 1rxc h LYS 145 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1rxc h LYS 145 CO 0.04 0.72 -0.41 0.66 -2.81 0.00 0.00 179.45 177.64 1rxc h SER 146 N 0.00 0.71 1.55 4.20 4.64 -0.92 -3.18 113.55 120.54 1rxc h SER 146 Ca -0.01 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1rxc h SER 146 Cb 1.29 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1rxc h SER 146 CO 0.09 1.13 -0.30 0.16 -0.87 0.00 0.00 176.83 177.04 1rxc h ILE 147 N 0.31 0.00 0.00 0.95 3.07 -1.59 -3.48 117.51 116.77 1rxc h ILE 147 Ca 0.01 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.57 1rxc h ILE 147 Cb 1.01 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 1rxc h ILE 147 CO 0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 1rxc n GLY 148 N 1.18 0.96 3.68 0.16 0.00 -0.92 -5.09 105.19 105.15 1rxc n GLY 148 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 1.64 -0.35 4.61 0.00 -0.94 -4.99 121.76 119.73 1rxc s ALA 149 Ca 0.00 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 1rxc s ALA 149 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1rxc s ALA 149 CO 0.00 -2.56 0.45 0.95 0.00 0.00 0.00 175.76 174.61 1rxc s THR 150 N -2.38 5.08 -0.01 0.00 -4.23 -1.26 -4.77 115.64 108.06 1rxc s THR 150 Ca 0.70 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.44 1rxc s THR 150 Cb -0.26 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 1rxc s THR 150 CO 0.54 -0.18 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.42 1rxc s THR 151 N 2.24 3.21 -0.05 3.99 2.01 -1.26 -1.83 115.64 123.95 1rxc s THR 151 Ca 0.16 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.36 1rxc s THR 151 Cb -0.16 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1rxc s THR 151 CO 0.13 0.47 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.32 1rxc s HIS 152 N -0.87 2.02 -0.21 4.92 3.76 -0.08 -4.96 115.29 119.88 1rxc s HIS 152 Ca 0.14 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1rxc s HIS 152 Cb -0.11 -1.35 0.04 0.00 1.11 0.00 0.00 32.58 32.27 1rxc s HIS 152 CO 0.04 -0.19 -0.15 0.08 -0.85 0.00 0.00 174.74 173.66 1rxc s VAL 153 N -0.03 2.01 0.00 -0.90 1.01 -1.26 -1.03 120.40 120.20 1rxc s VAL 153 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1rxc s VAL 153 Cb -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1rxc s VAL 153 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1rxc n GLY 154 N 4.58 0.70 3.76 4.51 0.00 -0.86 -4.94 105.19 112.94 1rxc n GLY 154 Ca -0.18 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.01 4.68 0.01 1.61 1.01 -1.26 -1.49 120.40 122.95 1rxc s VAL 155 Ca 0.00 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.53 1rxc s VAL 155 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1rxc s VAL 155 CO 0.00 0.44 -0.06 -0.89 0.00 0.00 0.00 175.10 174.58 1rxc s THR 156 N -0.47 3.67 -0.22 3.92 2.01 -0.50 -1.39 115.64 122.66 1rxc s THR 156 Ca 0.35 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1rxc s THR 156 Cb -0.21 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1rxc s THR 156 CO 0.22 0.38 0.33 0.00 -0.69 0.00 0.00 174.62 174.87 1rxc s ALA 157 N -1.01 3.57 -0.27 7.40 0.00 0.11 0.35 121.76 131.91 1rxc s ALA 157 Ca 0.17 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1rxc s ALA 157 Cb -0.11 -2.56 0.05 0.00 0.00 0.00 0.00 23.12 20.50 1rxc s ALA 157 CO 0.08 -0.31 -0.07 0.45 0.00 0.00 0.00 175.76 175.90 1rxc s SER 158 N 1.11 4.51 -0.06 0.00 0.15 -0.51 -1.99 113.70 116.91 1rxc s SER 158 Ca 0.16 -1.26 0.02 0.00 0.70 0.00 0.00 55.95 55.57 1rxc s SER 158 Cb -0.15 -1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 1rxc s SER 158 CO 0.07 -0.20 -0.11 -0.55 1.20 0.00 0.00 173.24 173.66 1rxc s SER 159 N 1.19 4.33 0.00 5.45 0.15 -0.07 -1.05 113.70 123.69 1rxc s SER 159 Ca -0.06 -0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.62 1rxc s SER 159 Cb -0.19 -1.05 0.66 0.00 -1.71 0.00 0.00 66.02 63.72 1rxc s SER 159 CO -0.04 0.34 1.48 0.47 1.20 0.00 0.00 173.24 176.69 1rxc n ASP 160 N 2.36 0.00 -4.26 5.45 10.43 -0.61 -4.27 116.55 125.65 1rxc n ASP 160 Ca -0.18 0.47 -0.20 0.00 2.57 0.00 0.00 54.79 57.45 1rxc n ASP 160 Cb 0.53 -0.49 -0.12 0.00 1.84 0.00 0.00 41.12 42.88 1rxc n ASP 160 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxc s THR 161 N -2.97 1.50 0.05 -3.53 -4.23 -1.26 -5.01 115.64 100.19 1rxc s THR 161 Ca 0.08 -1.65 -0.10 0.00 -1.18 0.00 0.00 61.69 58.85 1rxc s THR 161 Cb 0.10 -1.53 -0.32 0.00 1.34 0.00 0.00 72.50 72.09 1rxc s THR 161 CO 0.27 -0.27 1.07 0.15 -0.54 0.00 0.00 174.62 175.31 1rxc h PHE 162 N 3.73 0.72 0.00 3.99 3.57 -1.97 -3.38 116.94 123.60 1rxc h PHE 162 Ca -0.42 -0.52 0.00 0.00 3.53 0.00 0.00 57.97 60.56 1rxc h PHE 162 Cb 1.19 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1rxc h PHE 162 CO 0.65 1.41 0.00 0.66 -2.23 0.00 0.00 178.31 178.80 1rxc n TYR 163 N -3.61 0.00 -0.12 0.41 4.02 -1.26 -4.30 117.16 112.30 1rxc n TYR 163 Ca -0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.73 1rxc n TYR 163 Cb 1.06 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.57 1rxc n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1rxc h PRO 164 N 0.00 0.81 0.00 -0.72 0.13 -1.87 -1.64 132.00 128.71 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 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1rxc h PRO 164 CO 0.00 0.76 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1rxc n GLY 165 N -0.80 -1.31 1.26 1.56 0.00 -1.26 -1.10 105.19 103.54 1rxc n GLY 165 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1rxc n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rxc n GLN 166 N -2.13 3.24 -4.02 1.61 6.02 -0.96 -4.92 117.38 116.22 1rxc n GLN 166 Ca 0.03 -2.98 -0.30 0.00 -0.01 0.00 0.00 57.00 53.74 1rxc n GLN 166 Cb 0.25 -1.97 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 1rxc n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1rxc n GLU 167 N -0.35 -2.00 -3.47 -1.09 1.02 -0.25 -4.96 120.64 109.53 1rxc n GLU 167 Ca 0.27 0.29 -0.37 0.00 -0.02 0.00 0.00 57.16 57.33 1rxc n GLU 167 Cb 1.04 -3.97 -0.06 0.00 -0.02 0.00 0.00 31.44 28.43 1rxc n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1rxc s ARG 168 N -6.80 4.18 0.00 3.49 0.52 -0.66 -4.97 118.95 114.70 1rxc s ARG 168 Ca 0.13 0.27 0.11 0.00 -0.52 0.00 0.00 55.73 55.72 1rxc s ARG 168 Cb -0.06 -3.38 0.18 0.00 0.52 0.00 0.00 34.95 32.21 1rxc s ARG 168 CO 0.92 0.33 1.02 0.66 0.02 0.00 0.00 175.30 178.26 1rxc n TYR 169 N 3.17 0.20 -2.34 -0.53 4.01 -1.26 -4.46 117.16 115.94 1rxc n TYR 169 Ca -0.11 -0.22 -0.42 0.00 -0.16 0.00 0.00 57.90 57.00 1rxc n TYR 169 Cb 0.52 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1rxc n TYR 169 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1rxc n ASP 170 N 0.56 6.52 -3.95 7.72 5.75 -1.26 -4.36 116.55 127.53 1rxc n ASP 170 Ca 0.09 -3.22 -0.13 0.00 -0.01 0.00 0.00 54.79 51.51 1rxc n ASP 170 Cb 0.34 -1.38 -0.09 0.00 -1.03 0.00 0.00 41.12 38.96 1rxc n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1rxc s THR 171 N -1.06 0.00 0.15 2.12 -4.23 -1.26 -5.02 115.64 106.34 1rxc s THR 171 Ca 0.43 -1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 58.87 1rxc s THR 171 Cb 0.13 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.53 1rxc s THR 171 CO -0.03 0.00 1.69 0.22 -0.54 0.00 0.00 174.62 175.96 1rxc h TYR 172 N 2.44 -0.13 0.09 3.99 5.03 -1.99 -2.72 116.97 123.69 1rxc h TYR 172 Ca -0.32 0.03 -0.27 0.00 2.58 0.00 0.00 58.73 60.74 1rxc h TYR 172 Cb 1.25 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.62 1rxc h TYR 172 CO 0.68 -0.12 -1.31 0.66 -1.32 0.00 0.00 178.16 176.76 1rxc h SER 173 N 0.02 0.31 -0.74 -2.11 4.64 -1.97 -3.48 113.55 110.22 1rxc h SER 173 Ca 0.15 -0.37 -0.17 0.00 -0.47 0.00 0.00 61.79 60.92 1rxc h SER 173 Cb 0.22 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 1rxc h SER 173 CO -0.30 1.30 -0.18 0.61 -0.87 0.00 0.00 176.83 177.38 1rxc n GLY 174 N 1.54 0.62 3.14 -0.77 0.00 -1.03 -5.02 105.19 103.67 1rxc n GLY 174 Ca -0.10 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.42 0.85 -0.04 1.61 1.70 -1.26 -4.93 118.95 113.46 1rxc s ARG 175 Ca 0.00 -1.38 0.02 0.00 -0.47 0.00 0.00 55.73 53.89 1rxc s ARG 175 Cb 0.00 0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.61 1rxc s ARG 175 CO 0.00 -0.21 -0.06 0.08 -1.08 0.00 0.00 175.30 174.02 1rxc s VAL 176 N -4.00 0.63 0.56 4.99 1.01 -1.26 -4.93 120.40 117.41 1rxc s VAL 176 Ca 0.19 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1rxc s VAL 176 Cb 0.08 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1rxc s VAL 176 CO -0.01 0.23 0.98 0.55 0.00 0.00 0.00 175.10 176.85 1rxc n VAL 177 N 3.77 3.40 -0.29 2.92 3.14 -1.26 -4.57 118.33 125.44 1rxc n VAL 177 Ca -0.23 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 60.77 1rxc n VAL 177 Cb 0.52 -1.17 0.28 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 0.74 0.20 -0.60 1.45 2.43 -2.01 -0.79 114.38 115.81 1rxc h ARG 178 Ca -0.48 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1rxc h ARG 178 Cb 1.36 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 1rxc h ARG 178 CO 0.52 0.14 0.40 1.25 -1.51 0.00 0.00 179.97 180.77 1rxc h HIS 179 N 0.21 0.57 -0.11 2.20 2.76 -2.03 -2.28 115.15 116.48 1rxc h HIS 179 Ca 0.54 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1rxc h HIS 179 Cb 1.07 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1rxc h HIS 179 CO -0.27 0.31 0.00 1.19 -1.30 0.00 0.00 177.93 177.85 1rxc n PHE 180 N -4.48 0.12 -2.27 5.26 3.01 -0.35 -4.74 117.46 114.02 1rxc n PHE 180 Ca 0.09 -0.07 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1rxc n PHE 180 Cb 0.25 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1rxc n PHE 180 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rxc s LYS 181 N -1.55 4.33 0.00 -1.08 2.20 -0.86 -2.52 119.74 120.26 1rxc s LYS 181 Ca 0.26 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1rxc s LYS 181 Cb 0.17 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1rxc s LYS 181 CO 0.25 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1rxc n GLY 182 N 3.49 0.53 0.27 5.54 0.00 -1.26 -4.91 105.19 108.84 1rxc n GLY 182 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.86 -0.61 1.61 4.64 -1.78 -3.11 113.55 115.16 1rxc h SER 183 Ca 0.00 -0.33 0.08 0.00 -0.47 0.00 0.00 61.79 61.06 1rxc h SER 183 Cb 0.06 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 61.85 1rxc h SER 183 CO 0.00 1.07 0.28 -0.03 -0.87 0.00 0.00 176.83 177.28 1rxc h MET 184 N 0.71 0.49 -0.38 4.77 -1.53 -1.91 -2.10 114.93 114.99 1rxc h MET 184 Ca 0.09 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.25 1rxc h MET 184 Cb 0.81 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.73 1rxc h MET 184 CO 0.07 0.32 -0.05 1.49 0.14 0.00 0.00 176.91 178.88 1rxc h GLU 185 N 0.50 0.62 0.09 0.39 4.81 -1.95 -0.35 114.58 118.69 1rxc h GLU 185 Ca 0.29 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1rxc h GLU 185 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1rxc h GLU 185 CO -0.24 0.68 -0.08 0.93 -0.73 0.00 0.00 179.01 179.57 1rxc h GLU 186 N 0.58 -0.17 -0.75 1.92 4.39 -1.36 -1.90 114.58 117.28 1rxc h GLU 186 Ca 0.11 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1rxc h GLU 186 Cb 0.44 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1rxc h GLU 186 CO 0.02 -0.11 0.44 -1.49 -1.16 0.00 0.00 179.01 176.70 1rxc h TRP 187 N -0.18 1.01 -0.49 4.33 -0.00 -0.95 -1.87 115.95 117.81 1rxc h TRP 187 Ca -0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.89 58.92 1rxc h TRP 187 Cb 0.16 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 28.95 1rxc h TRP 187 CO -0.10 0.70 0.26 1.96 -0.00 0.00 0.00 178.44 181.25 1rxc h GLN 188 N 1.04 0.49 0.00 0.49 4.20 -1.00 -1.43 115.11 118.90 1rxc h GLN 188 Ca 0.27 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1rxc h GLN 188 Cb -0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1rxc h GLN 188 CO -0.05 0.33 -0.17 0.00 -0.67 0.00 0.00 178.83 178.27 1rxc h ALA 189 N 1.26 1.13 -0.01 3.87 0.00 -0.90 -2.43 119.26 122.18 1rxc h ALA 189 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rxc h ALA 189 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rxc h ALA 189 CO -0.14 0.21 -0.04 -1.33 0.00 0.00 0.00 179.25 177.95 1rxc n MET 190 N -3.48 1.45 -0.50 0.00 2.81 -0.74 -4.94 117.12 111.72 1rxc n MET 190 Ca -0.01 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 1rxc n MET 190 Cb 0.33 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.18 0.75 3.73 3.03 0.00 -0.92 -5.04 105.19 107.94 1rxc n GLY 191 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.15 2.43 0.04 1.61 1.01 -0.58 -4.63 120.40 118.12 1rxc s VAL 192 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1rxc s VAL 192 Cb 0.00 -3.21 -0.34 0.00 0.00 0.00 0.00 36.38 32.83 1rxc s VAL 192 CO 0.00 0.04 1.02 0.24 0.00 0.00 0.00 175.10 176.40 1rxc h MET 193 N 5.81 0.46 -2.47 2.72 0.00 -1.56 -3.42 114.93 116.47 1rxc h MET 193 Ca -0.45 -0.79 0.14 0.00 0.00 0.00 0.00 59.70 58.60 1rxc h MET 193 Cb 1.21 0.30 -0.09 0.00 0.00 0.00 0.00 31.60 33.02 1rxc h MET 193 CO 0.85 1.38 0.43 0.54 0.00 0.00 0.00 176.91 180.11 1rxc s ASN 194 N -7.46 -0.23 -0.03 1.22 4.22 -1.26 -0.73 114.94 110.68 1rxc s ASN 194 Ca -0.08 -0.37 -0.01 0.00 -2.14 0.00 0.00 52.86 50.26 1rxc s ASN 194 Cb 0.05 0.52 -0.04 0.00 1.28 0.00 0.00 41.25 43.06 1rxc s ASN 194 CO 0.93 -0.95 0.07 -0.31 -2.04 0.00 0.00 177.10 174.81 1rxc s TYR 195 N -3.39 3.29 0.00 1.54 1.51 -1.26 -0.71 117.35 118.34 1rxc s TYR 195 Ca 0.11 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 1rxc s TYR 195 Cb -0.02 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1rxc s TYR 195 CO 0.01 0.55 0.00 -0.85 -1.11 0.00 0.00 175.55 174.15 1rxc n GLU 196 N 1.39 0.00 0.00 -0.62 -0.00 -0.84 -4.44 120.64 116.13 1rxc n GLU 196 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 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 0.66 0.00 3.44 2.81 -1.26 -0.89 117.12 121.88 1rxc n MET 197 Ca 0.00 -0.67 0.00 0.00 -1.81 0.00 0.00 57.70 55.22 1rxc n MET 197 Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 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 -0.12 2.37 0.12 0.03 4.71 -1.26 -3.49 120.64 123.00 1rxc n GLU 198 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1rxc n GLU 198 Cb 0.36 -0.82 0.31 0.00 -1.01 0.00 0.00 31.44 30.29 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 0.19 -0.49 1.62 4.64 -1.94 -2.41 113.55 115.16 1rxc h SER 199 Ca 0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1rxc h SER 199 Cb 0.34 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1rxc h SER 199 CO 0.00 0.49 0.13 0.00 -0.87 0.00 0.00 176.83 176.58 1rxc h ALA 200 N 1.53 0.65 0.38 5.18 0.00 -1.87 -0.19 119.26 124.95 1rxc h ALA 200 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1rxc h ALA 200 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rxc h ALA 200 CO 0.04 0.33 -0.18 1.15 0.00 0.00 0.00 179.25 180.59 1rxc h THR 201 N 0.67 0.62 0.19 0.00 2.02 -1.85 -2.04 112.91 112.52 1rxc h THR 201 Ca 0.16 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1rxc h THR 201 Cb 0.31 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1rxc h THR 201 CO -0.00 0.06 -0.20 0.25 0.37 0.00 0.00 175.52 176.00 1rxc h LEU 202 N -0.70 -0.54 -0.51 2.58 5.85 -1.38 -0.71 115.31 119.90 1rxc h LEU 202 Ca -0.05 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1rxc h LEU 202 Cb 0.49 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1rxc h LEU 202 CO 0.09 -0.30 0.13 -0.07 -0.34 0.00 0.00 178.44 177.95 1rxc h LEU 203 N -0.43 0.76 -0.45 2.25 3.38 -1.12 -1.33 115.31 118.38 1rxc h LEU 203 Ca 0.00 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1rxc h LEU 203 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1rxc h LEU 203 CO -0.06 0.79 -0.08 0.74 0.09 0.00 0.00 178.44 179.92 1rxc h THR 204 N 0.70 1.27 0.00 0.22 2.02 -1.31 -1.18 112.91 114.64 1rxc h THR 204 Ca 0.16 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 1rxc h THR 204 Cb 0.32 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1rxc h THR 204 CO 0.00 0.40 -0.14 0.00 0.37 0.00 0.00 175.52 176.16 1rxc h MET 205 N 0.69 0.00 0.14 6.66 -0.00 -0.99 -2.54 114.93 118.88 1rxc h MET 205 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.52 1rxc h MET 205 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1rxc h MET 205 CO 0.04 0.14 -1.54 0.00 -0.00 0.00 0.00 176.91 175.55 1rxc h ALA 207 N 0.01 1.00 -0.15 0.00 0.00 -1.24 -0.44 119.26 118.44 1rxc h ALA 207 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rxc h ALA 207 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1rxc h ALA 207 CO 0.10 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1rxc n SER 208 N -2.86 3.05 -0.46 0.00 3.41 -0.96 -4.37 113.62 111.42 1rxc n SER 208 Ca 0.02 -1.97 0.03 0.00 -0.26 0.00 0.00 58.87 56.70 1rxc n SER 208 Cb 0.35 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.32 0.42 -1.56 4.33 6.02 -1.11 -5.01 117.38 121.79 1rxc n GLN 209 Ca 0.16 -1.61 -0.10 0.00 -0.01 0.00 0.00 57.00 55.44 1rxc n GLN 209 Cb 0.59 -0.79 -0.03 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.42 0.79 3.61 1.08 0.00 -1.13 -5.02 105.19 104.11 1rxc n GLY 210 Ca 0.06 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.43 3.27 0.05 0.99 1.43 -0.19 -5.06 118.68 116.74 1rxc s LEU 211 Ca 0.00 -0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 1rxc s LEU 211 Cb 0.00 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 1rxc s LEU 211 CO 0.00 0.35 0.70 -0.13 0.23 0.00 0.00 176.35 177.50 1rxc s ARG 212 N -0.96 4.42 -0.07 1.70 0.52 -0.24 -3.86 118.95 120.46 1rxc s ARG 212 Ca 0.14 0.95 -0.06 0.00 -0.52 0.00 0.00 55.73 56.23 1rxc s ARG 212 Cb -0.11 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1rxc s ARG 212 CO 0.03 0.40 0.19 0.00 0.02 0.00 0.00 175.30 175.93 1rxc s ALA 213 N -0.39 -0.46 0.26 2.13 0.00 -1.26 -0.33 121.76 121.71 1rxc s ALA 213 Ca 0.35 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1rxc s ALA 213 Cb -0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1rxc s ALA 213 CO 0.21 -0.09 0.09 0.20 0.00 0.00 0.00 175.76 176.18 1rxc s GLY 214 N 0.15 1.77 -0.11 0.00 0.00 -0.78 -0.08 107.32 108.28 1rxc s GLY 214 Ca -0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 44.72 42.77 1rxc s GLY 214 CO -0.00 -1.61 0.27 -0.29 0.00 0.00 0.00 173.10 171.46 1rxc s MET 215 N -4.02 0.25 0.07 2.90 1.75 -1.26 -1.40 119.30 117.59 1rxc s MET 215 Ca 0.38 0.52 0.05 0.00 -1.25 0.00 0.00 55.69 55.39 1rxc s MET 215 Cb 0.08 -0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 1rxc s MET 215 CO 0.14 -0.14 -0.15 0.54 -0.65 0.00 0.00 175.02 174.76 1rxc s VAL 216 N 1.04 1.18 -0.17 10.11 0.11 -0.89 -1.50 120.40 130.28 1rxc s VAL 216 Ca -0.07 -1.28 -0.20 0.00 -2.93 0.00 0.00 61.98 57.49 1rxc s VAL 216 Cb -0.08 -1.12 0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1rxc s VAL 216 CO -0.07 -0.17 0.55 0.00 -3.33 0.00 0.00 175.10 172.08 1rxc s ALA 217 N -1.19 -1.37 -0.02 1.54 0.00 0.07 -2.58 121.76 118.20 1rxc s ALA 217 Ca -0.00 1.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 1rxc s ALA 217 Cb -0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1rxc s ALA 217 CO 0.02 -0.28 0.54 0.20 0.00 0.00 0.00 175.76 176.24 1rxc s GLY 218 N -0.07 2.55 -0.38 0.00 0.00 -0.65 -0.18 107.32 108.59 1rxc s GLY 218 Ca -0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 1rxc s GLY 218 CO 0.02 0.64 0.86 0.14 0.00 0.00 0.00 173.10 174.76 1rxc s VAL 219 N -0.23 4.64 -1.25 1.40 1.01 -0.54 -1.48 120.40 123.94 1rxc s VAL 219 Ca 0.29 1.00 0.16 0.00 0.00 0.00 0.00 61.98 63.42 1rxc s VAL 219 Cb -0.17 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1rxc s VAL 219 CO 0.15 -0.53 0.80 2.30 0.00 0.00 0.00 175.10 177.82 1rxc n ILE 220 N 5.95 0.00 -3.43 2.22 -5.35 -0.62 -1.15 119.36 116.98 1rxc n ILE 220 Ca 0.05 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.15 1rxc n ILE 220 Cb 0.48 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.49 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 -2.13 0.00 -0.17 7.28 0.11 -1.25 -4.95 120.40 119.30 1rxc s VAL 221 Ca 0.11 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1rxc s VAL 221 Cb 0.13 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.06 1rxc s VAL 221 CO 0.50 0.00 0.23 0.21 -3.33 0.00 0.00 175.10 172.71 1rxc s ASN 222 N -2.60 0.92 0.33 3.54 3.84 -1.26 -1.82 114.94 117.89 1rxc s ASN 222 Ca 0.00 0.12 0.17 0.00 0.21 0.00 0.00 52.86 53.36 1rxc s ASN 222 Cb -0.01 0.50 0.47 0.00 -0.55 0.00 0.00 41.25 41.67 1rxc s ASN 222 CO -0.11 -0.29 1.63 0.08 -2.79 0.00 0.00 177.10 175.63 1rxc h ARG 223 N 8.31 0.00 0.00 0.43 0.11 -1.95 -2.47 114.38 118.80 1rxc h ARG 223 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1rxc h ARG 223 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1rxc h ARG 223 CO 0.22 0.45 0.00 1.79 0.10 0.00 0.00 179.97 182.52 1rxc h THR 224 N 0.00 0.00 0.00 0.08 1.35 -1.90 -3.52 112.91 108.92 1rxc h THR 224 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1rxc h THR 224 Cb 1.07 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1rxc h THR 224 CO 0.06 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.33 1rxc n GLN 225 N -2.44 0.00 0.00 4.72 6.02 -0.93 -4.91 117.38 119.84 1rxc n GLN 225 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1rxc n GLN 225 Cb 0.27 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.53 1rxc n GLN 225 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1rxc n GLN 236 N 0.00 0.00 0.03 -1.09 7.27 -1.26 -5.04 117.38 117.29 1rxc n GLN 236 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1rxc n GLN 236 Cb 0.00 -0.58 -0.05 0.00 2.41 0.00 0.00 30.24 32.03 1rxc n GLN 236 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1rxc h THR 237 N 0.00 1.33 -0.52 1.69 2.02 -1.95 -2.68 112.91 112.81 1rxc h THR 237 Ca 0.00 -2.17 0.03 0.00 0.77 0.00 0.00 66.41 65.04 1rxc h THR 237 Cb 0.00 2.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1rxc h THR 237 CO 0.00 0.67 0.30 -0.08 0.37 0.00 0.00 175.52 176.78 1rxc h GLU 238 N 0.38 0.59 -0.11 6.66 4.81 -1.94 -2.59 114.58 122.38 1rxc h GLU 238 Ca -0.07 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1rxc h GLU 238 Cb 1.47 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1rxc h GLU 238 CO 0.16 0.39 -0.36 0.77 -0.73 0.00 0.00 179.01 179.24 1rxc h SER 239 N 0.60 0.23 0.51 1.04 0.02 -1.99 -1.96 113.55 112.00 1rxc h SER 239 Ca 0.21 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1rxc h SER 239 Cb 0.03 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1rxc h SER 239 CO -0.10 0.57 -0.25 -0.74 -1.14 0.00 0.00 176.83 175.18 1rxc h HIS 240 N 0.19 -0.64 -0.47 3.45 2.76 -1.26 -2.18 115.15 117.01 1rxc h HIS 240 Ca 0.02 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1rxc h HIS 240 Cb 0.72 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1rxc h HIS 240 CO 0.01 -0.38 0.01 0.00 -1.30 0.00 0.00 177.93 176.27 1rxc h ALA 241 N -0.23 1.14 -0.71 5.26 0.00 -1.43 -2.61 119.26 120.68 1rxc h ALA 241 Ca -0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1rxc h ALA 241 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1rxc h ALA 241 CO 0.12 0.55 0.20 0.28 0.00 0.00 0.00 179.25 180.40 1rxc h VAL 242 N 0.72 1.26 -0.59 0.00 2.07 -1.32 -1.96 116.25 116.43 1rxc h VAL 242 Ca 0.14 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1rxc h VAL 242 Cb 0.42 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1rxc h VAL 242 CO 0.02 0.36 0.23 0.11 0.02 0.00 0.00 177.57 178.30 1rxc h LYS 243 N 1.06 0.86 -0.17 1.57 6.56 -1.06 -2.32 116.57 123.06 1rxc h LYS 243 Ca 0.23 -0.14 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1rxc h LYS 243 Cb 0.33 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1rxc h LYS 243 CO -0.00 0.71 -0.08 0.82 -2.06 0.00 0.00 179.45 178.83 1rxc h ILE 244 N 0.84 1.31 0.00 1.86 2.04 -1.11 -1.96 117.51 120.49 1rxc h ILE 244 Ca 0.20 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1rxc h ILE 244 Cb 0.18 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1rxc h ILE 244 CO -0.02 0.34 -0.35 1.62 0.00 0.00 0.00 178.15 179.74 1rxc h VAL 245 N 0.04 1.18 -0.32 1.67 3.04 -1.28 0.30 116.25 120.88 1rxc h VAL 245 Ca 0.04 -1.21 -0.17 0.00 -1.01 0.00 0.00 66.70 64.35 1rxc h VAL 245 Cb 0.56 1.66 -0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1rxc h VAL 245 CO 0.03 0.34 -0.47 0.58 -1.01 0.00 0.00 177.57 177.03 1rxc h VAL 246 N 0.00 1.27 -0.13 1.51 2.07 -1.36 -1.99 116.25 117.63 1rxc h VAL 246 Ca -0.00 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.72 1rxc h VAL 246 Cb 0.64 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1rxc h VAL 246 CO 0.04 0.54 -0.52 -0.08 0.02 0.00 0.00 177.57 177.57 1rxc h GLU 247 N 0.68 0.36 -0.39 1.57 4.57 -0.96 -1.88 114.58 118.55 1rxc h GLU 247 Ca 0.03 -0.22 -0.14 0.00 -1.18 0.00 0.00 59.36 57.86 1rxc h GLU 247 Cb 1.08 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1rxc h GLU 247 CO 0.11 0.80 -0.29 0.00 -1.18 0.00 0.00 179.01 178.45 1rxc h ALA 248 N 1.16 0.56 -0.84 2.92 0.00 -0.95 -2.80 119.26 119.31 1rxc h ALA 248 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1rxc h ALA 248 Cb 1.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1rxc h ALA 248 CO 0.09 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.48 1rxc h ALA 249 N 0.78 1.42 -0.54 0.00 0.00 -1.18 -2.01 119.26 117.73 1rxc h ALA 249 Ca 0.07 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1rxc h ALA 249 Cb 0.87 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1rxc h ALA 249 CO 0.08 0.53 0.21 -0.09 0.00 0.00 0.00 179.25 179.98 1rxc h ARG 250 N 1.12 0.40 0.00 0.00 2.43 -1.11 -2.35 114.38 114.87 1rxc h ARG 250 Ca 0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1rxc h ARG 250 Cb -0.10 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1rxc h ARG 250 CO -0.07 0.26 0.00 0.54 -1.51 0.00 0.00 179.97 179.19 1rxc n ARG 251 N -4.97 0.15 -0.23 0.20 1.74 -0.80 -3.33 116.66 109.41 1rxc n ARG 251 Ca 0.06 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.44 1rxc n ARG 251 Cb 0.21 -1.70 0.23 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.96 3.48 0.00 0.55 4.77 -0.89 -5.07 117.00 117.88 1rxc n LEU 252 Ca 0.05 -1.67 0.09 0.00 -0.03 0.00 0.00 56.01 54.45 1rxc n LEU 252 Cb 0.34 -0.30 0.53 0.00 -2.33 0.00 0.00 43.42 41.65 1rxc n LEU 252 CO 0.26 0.80 0.73 0.18 -1.33 0.00 0.00 177.39 178.02