#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 -2.71 -3.46 3.32 -1.66 -3.46 116.42 108.45 1rxc h ASP 5 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1rxc h ASP 5 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1rxc h ASP 5 CO 0.00 0.02 -0.71 0.68 -1.72 0.00 0.00 179.24 177.51 1rxc s VAL 6 N -3.50 1.93 0.11 -1.35 -7.23 -1.24 -5.07 120.40 104.06 1rxc s VAL 6 Ca 0.03 -2.22 -0.06 0.00 -1.81 0.00 0.00 61.98 57.92 1rxc s VAL 6 Cb 0.08 -2.34 -0.21 0.00 0.56 0.00 0.00 36.38 34.47 1rxc s VAL 6 CO 0.60 -0.39 1.25 0.15 -0.31 0.00 0.00 175.10 176.40 1rxc h PHE 7 N 2.31 0.68 0.00 2.82 3.57 -1.95 -3.40 116.94 120.98 1rxc h PHE 7 Ca -0.40 -0.39 -0.17 0.00 3.53 0.00 0.00 57.97 60.54 1rxc h PHE 7 Cb 1.24 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1rxc h PHE 7 CO 0.73 1.23 -1.62 0.72 -2.23 0.00 0.00 178.31 177.14 1rxc n HIS 8 N -3.74 0.00 0.19 0.41 8.25 -1.26 -4.78 115.22 114.30 1rxc n HIS 8 Ca -0.08 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1rxc n HIS 8 Cb 0.88 -0.41 0.37 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.09 0.00 -1.88 2.41 3.38 -1.91 -3.44 115.31 113.78 1rxc h LEU 9 Ca -0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1rxc h LEU 9 Cb 1.34 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.16 1rxc h LEU 9 CO -0.07 0.35 -0.32 0.61 0.09 0.00 0.00 178.44 179.11 1rxc n GLY 10 N 0.10 0.11 2.99 0.83 0.00 -1.26 -4.65 105.19 103.32 1rxc n GLY 10 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.80 2.24 0.34 0.99 1.43 -1.26 -4.75 118.68 113.87 1rxc s LEU 11 Ca 0.00 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1rxc s LEU 11 Cb -0.00 0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.24 1rxc s LEU 11 CO 0.30 -0.28 0.30 0.42 0.23 0.00 0.00 176.35 177.32 1rxc s THR 12 N -1.43 3.49 0.28 5.49 -4.23 -1.26 -1.58 115.64 116.40 1rxc s THR 12 Ca -0.15 -1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1rxc s THR 12 Cb -0.10 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.76 1rxc s THR 12 CO -0.01 -0.16 1.87 0.50 -0.54 0.00 0.00 174.62 176.28 1rxc h LYS 13 N 1.24 0.98 -0.84 3.99 3.11 -1.96 -2.55 116.57 120.54 1rxc h LYS 13 Ca -0.45 -0.14 0.16 0.00 -2.81 0.00 0.00 60.65 57.41 1rxc h LYS 13 Cb 1.25 -0.18 -0.10 0.00 -1.00 0.00 0.00 32.23 32.21 1rxc h LYS 13 CO 0.58 0.78 0.41 -0.91 -2.81 0.00 0.00 179.45 177.50 1rxc h ASN 14 N 0.98 0.45 -0.82 4.20 2.35 -1.95 -2.55 115.58 118.24 1rxc h ASN 14 Ca 0.24 0.11 0.20 0.00 -0.55 0.00 0.00 56.30 56.29 1rxc h ASN 14 Cb 0.13 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1rxc h ASN 14 CO -0.03 0.16 0.56 0.44 -1.65 0.00 0.00 177.43 176.91 1rxc h ASP 15 N 0.55 0.26 1.63 5.81 3.32 -1.85 -2.36 116.42 123.78 1rxc h ASP 15 Ca 0.47 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.49 1rxc h ASP 15 Cb 0.73 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1rxc h ASP 15 CO -0.40 0.11 -0.38 -0.07 -1.72 0.00 0.00 179.24 176.79 1rxc h LEU 16 N 0.27 0.00 -0.60 1.55 4.07 -1.57 -3.48 115.31 115.55 1rxc h LEU 16 Ca 0.41 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.93 1rxc h LEU 16 Cb 1.19 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.95 1rxc h LEU 16 CO -0.10 0.26 -0.70 0.00 -1.08 0.00 0.00 178.44 176.81 1rxc n GLN 17 N -3.11 -5.97 -0.97 1.13 6.02 -0.89 -2.24 117.38 111.35 1rxc n GLN 17 Ca 0.02 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1rxc n GLN 17 Cb 0.64 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.29 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 -1.72 0.44 3.77 1.08 0.00 -1.26 -4.80 105.19 102.70 1rxc n GLY 18 Ca 0.01 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 3.43 0.00 4.61 0.00 -0.95 -4.93 121.76 121.92 1rxc s ALA 19 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1rxc s ALA 19 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1rxc s ALA 19 CO 0.00 -0.82 0.00 0.25 0.00 0.00 0.00 175.76 175.19 1rxc n THR 20 N 0.48 0.00 -4.74 0.00 -2.24 -1.26 -4.38 114.28 102.13 1rxc n THR 20 Ca 0.02 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1rxc n THR 20 Cb 0.42 0.93 -0.12 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 -1.76 2.94 -0.01 3.22 0.20 -1.26 -0.25 118.68 121.76 1rxc s LEU 21 Ca 0.00 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.73 1rxc s LEU 21 Cb 0.00 -1.63 -0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1rxc s LEU 21 CO 0.00 0.32 -0.14 0.00 -0.29 0.00 0.00 176.35 176.24 1rxc s ALA 22 N -0.58 1.19 -0.13 5.97 0.00 -0.05 -2.23 121.76 125.94 1rxc s ALA 22 Ca 0.08 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 1rxc s ALA 22 Cb -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1rxc s ALA 22 CO 0.02 0.29 0.27 0.42 0.00 0.00 0.00 175.76 176.76 1rxc s ILE 23 N -0.33 5.30 -0.42 0.00 1.01 0.42 -1.10 121.20 126.10 1rxc s ILE 23 Ca 0.05 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.23 1rxc s ILE 23 Cb -0.06 -3.59 0.13 0.00 0.01 0.00 0.00 42.46 38.95 1rxc s ILE 23 CO -0.01 0.47 0.22 0.68 0.00 0.00 0.00 174.94 176.31 1rxc s VAL 24 N -0.10 1.21 0.89 2.92 -7.23 0.34 -1.33 120.40 117.11 1rxc s VAL 24 Ca 0.17 -2.35 -0.13 0.00 -1.81 0.00 0.00 61.98 57.86 1rxc s VAL 24 Cb -0.13 -1.86 0.16 0.00 0.56 0.00 0.00 36.38 35.11 1rxc s VAL 24 CO 0.05 -0.88 1.24 -2.16 -0.31 0.00 0.00 175.10 173.04 1rxc s PRO 25 N 0.56 1.11 0.02 4.82 0.04 -1.22 -3.44 135.00 136.89 1rxc s PRO 25 Ca 0.17 -0.38 -0.16 0.00 0.04 0.00 0.00 61.00 60.67 1rxc s PRO 25 Cb -0.24 -1.94 -0.35 0.00 0.04 0.00 0.00 34.50 32.01 1rxc s PRO 25 CO -0.02 -2.07 0.96 0.78 0.04 0.00 0.00 177.00 176.70 1rxc h GLY 26 N -1.33 0.61 -5.80 0.56 0.00 -1.84 -1.92 103.07 93.34 1rxc h GLY 26 Ca -0.44 -1.55 -0.65 0.00 0.00 0.00 0.00 47.33 44.69 1rxc h GLY 26 CO 0.45 1.36 -0.53 -0.35 0.00 0.00 0.00 176.54 177.48 1rxc s ASP 27 N -7.56 5.99 0.50 0.19 2.15 -1.26 -1.84 116.67 114.83 1rxc s ASP 27 Ca -0.10 0.28 0.22 0.00 0.43 0.00 0.00 52.55 53.39 1rxc s ASP 27 Cb 0.04 -1.95 1.30 0.00 -0.30 0.00 0.00 42.92 42.01 1rxc s ASP 27 CO 0.94 0.31 1.98 -0.65 -0.17 0.00 0.00 175.17 177.58 1rxc h PRO 28 N 5.71 0.11 -0.07 4.34 0.11 -1.92 -2.69 132.00 137.59 1rxc h PRO 28 Ca -0.48 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1rxc h PRO 28 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1rxc h PRO 28 CO 0.64 0.07 -0.60 -0.44 -0.21 0.00 0.00 178.00 177.45 1rxc h ASP 29 N 0.11 0.26 0.55 -2.05 3.32 -2.00 -2.69 116.42 113.92 1rxc h ASP 29 Ca 0.27 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1rxc h ASP 29 Cb 0.91 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1rxc h ASP 29 CO -0.03 0.81 -0.26 0.03 -1.72 0.00 0.00 179.24 178.07 1rxc h ARG 30 N 0.17 0.00 -0.59 3.56 3.08 -1.90 -3.21 114.38 115.49 1rxc h ARG 30 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1rxc h ARG 30 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1rxc h ARG 30 CO 0.09 0.26 0.33 0.28 -1.07 0.00 0.00 179.97 179.86 1rxc h VAL 31 N 0.00 1.19 0.20 2.04 2.07 -1.38 -1.58 116.25 118.79 1rxc h VAL 31 Ca -0.00 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1rxc h VAL 31 Cb 0.60 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1rxc h VAL 31 CO 0.03 0.21 -0.09 -0.33 0.02 0.00 0.00 177.57 177.41 1rxc h GLU 32 N 0.80 -0.26 -0.47 1.57 5.08 -1.61 -1.99 114.58 117.71 1rxc h GLU 32 Ca 0.21 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.67 1rxc h GLU 32 Cb 0.04 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1rxc h GLU 32 CO -0.03 -0.16 0.06 0.87 -1.00 0.00 0.00 179.01 178.75 1rxc h LYS 33 N -0.28 0.18 -0.42 2.33 6.56 -1.50 0.06 116.57 123.50 1rxc h LYS 33 Ca -0.03 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.45 1rxc h LYS 33 Cb 0.21 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1rxc h LYS 33 CO 0.04 0.12 -0.14 0.82 -2.06 0.00 0.00 179.45 178.23 1rxc h ILE 34 N 0.19 1.28 0.00 1.86 2.04 -1.30 -2.93 117.51 118.64 1rxc h ILE 34 Ca 0.24 -1.27 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1rxc h ILE 34 Cb 0.32 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1rxc h ILE 34 CO -0.34 0.43 -0.32 0.00 0.00 0.00 0.00 178.15 177.92 1rxc h ALA 35 N 0.84 1.18 0.00 1.87 0.00 -0.78 -2.75 119.26 119.63 1rxc h ALA 35 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rxc h ALA 35 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rxc h ALA 35 CO 0.05 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1rxc h ALA 36 N 1.68 1.00 0.00 0.00 0.00 -0.81 -2.60 119.26 118.53 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 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rxc h ALA 36 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1rxc n LEU 37 N -2.86 0.26 -4.76 0.00 7.99 -1.03 -4.86 117.00 111.74 1rxc n LEU 37 Ca 0.01 0.53 -0.24 0.00 -0.01 0.00 0.00 56.01 56.30 1rxc n LEU 37 Cb 0.31 -0.45 -0.07 0.00 -0.11 0.00 0.00 43.42 43.11 1rxc n LEU 37 CO 0.26 -0.09 -0.14 -0.04 -1.51 0.00 0.00 177.39 175.87 1rxc s MET 38 N -3.04 2.28 0.60 3.23 -1.94 -0.98 -5.12 119.30 114.33 1rxc s MET 38 Ca 0.12 -1.76 -0.08 0.00 -1.71 0.00 0.00 55.69 52.26 1rxc s MET 38 Cb 0.16 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.93 1rxc s MET 38 CO 0.53 -0.10 0.94 -0.51 -0.01 0.00 0.00 175.02 175.87 1rxc s ASP 39 N -3.93 5.76 -1.57 3.03 -0.00 -0.64 -4.33 116.67 114.99 1rxc s ASP 39 Ca 0.42 0.94 -0.06 0.00 -0.00 0.00 0.00 52.55 53.85 1rxc s ASP 39 Cb 0.02 -1.96 0.06 0.00 -0.00 0.00 0.00 42.92 41.05 1rxc s ASP 39 CO 0.23 -1.02 0.16 0.29 -0.00 0.00 0.00 175.17 174.84 1rxc n LYS 40 N -2.65 -0.88 -2.37 8.23 4.01 -1.26 -0.75 118.16 122.49 1rxc n LYS 40 Ca 0.05 0.10 -0.39 0.00 -0.51 0.00 0.00 58.31 57.56 1rxc n LYS 40 Cb 0.57 -3.71 -0.03 0.00 -0.51 0.00 0.00 35.03 31.34 1rxc n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1rxc s PRO 41 N -7.12 4.25 -0.27 1.97 0.04 -1.26 -4.46 135.00 128.15 1rxc s PRO 41 Ca 0.22 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 1rxc s PRO 41 Cb -0.13 -2.82 0.08 0.00 0.04 0.00 0.00 34.50 31.67 1rxc s PRO 41 CO 0.96 -0.14 0.66 0.08 0.04 0.00 0.00 177.00 178.60 1rxc s VAL 42 N -1.37 -0.00 -0.02 -0.36 1.01 -0.45 -5.00 120.40 114.20 1rxc s VAL 42 Ca 0.53 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1rxc s VAL 42 Cb -0.30 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1rxc s VAL 42 CO 0.39 0.00 1.11 -0.75 0.00 0.00 0.00 175.10 175.85 1rxc s LYS 43 N 1.56 4.43 -0.23 2.72 2.20 -1.26 -1.17 119.74 127.99 1rxc s LYS 43 Ca -0.10 1.58 -0.10 0.00 -0.36 0.00 0.00 55.97 57.00 1rxc s LYS 43 Cb -0.05 -3.48 -0.17 0.00 -1.51 0.00 0.00 37.83 32.61 1rxc s LYS 43 CO -0.18 -0.28 -0.08 1.28 -0.36 0.00 0.00 175.35 175.73 1rxc n LEU 44 N 4.55 2.33 -3.50 5.43 4.77 -0.75 -4.94 117.00 124.89 1rxc n LEU 44 Ca 0.09 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1rxc n LEU 44 Cb 0.48 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1rxc n LEU 44 CO 0.54 0.66 0.49 0.00 -1.33 0.00 0.00 177.39 177.75 1rxc s ALA 45 N -2.49 -1.61 -0.26 -1.18 0.00 -1.02 -5.02 121.76 110.19 1rxc s ALA 45 Ca -0.33 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1rxc s ALA 45 Cb 0.10 0.77 0.15 0.00 0.00 0.00 0.00 23.12 24.13 1rxc s ALA 45 CO 0.59 -0.80 0.40 0.45 0.00 0.00 0.00 175.76 176.40 1rxc s SER 46 N -2.72 0.20 -0.12 0.00 0.15 -1.26 -1.43 113.70 108.52 1rxc s SER 46 Ca 0.04 0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.72 1rxc s SER 46 Cb -0.02 1.17 0.04 0.00 -1.71 0.00 0.00 66.02 65.51 1rxc s SER 46 CO -0.09 -0.32 0.05 -1.00 1.20 0.00 0.00 173.24 173.08 1rxc s HIS 47 N 2.56 0.44 0.00 3.44 3.76 -0.90 -5.01 115.29 119.59 1rxc s HIS 47 Ca 0.12 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1rxc s HIS 47 Cb -0.14 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.81 1rxc s HIS 47 CO -0.21 -0.41 0.00 -2.13 -0.85 0.00 0.00 174.74 171.14 1rxc n ARG 48 N 5.21 0.00 0.00 1.40 3.00 -1.26 -2.15 116.66 122.85 1rxc n ARG 48 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.84 1rxc n ARG 48 Cb 0.49 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.27 1rxc n ARG 48 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1rxc n GLU 49 N 10.39 0.66 -3.57 -0.14 0.00 -1.26 -4.60 120.64 122.11 1rxc n GLU 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1rxc n GLU 49 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 31.44 30.11 1rxc n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxc s PHE 50 N -2.00 3.50 -0.25 -1.84 0.40 -0.92 -3.94 117.98 112.94 1rxc s PHE 50 Ca 0.16 -2.22 -0.11 0.00 -0.60 0.00 0.00 56.93 54.16 1rxc s PHE 50 Cb 0.07 -3.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 1rxc s PHE 50 CO 0.13 -0.94 0.17 0.99 0.70 0.00 0.00 175.22 176.26 1rxc s THR 51 N 0.57 5.32 -0.09 0.64 2.01 -1.26 -2.11 115.64 120.72 1rxc s THR 51 Ca 0.13 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1rxc s THR 51 Cb -0.20 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1rxc s THR 51 CO -0.04 0.32 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.16 1rxc s THR 52 N 1.26 2.83 0.16 -0.82 2.01 -0.51 -1.78 115.64 118.80 1rxc s THR 52 Ca 0.07 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.38 1rxc s THR 52 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1rxc s THR 52 CO 0.06 0.56 -0.18 0.26 -0.69 0.00 0.00 174.62 174.63 1rxc s TRP 53 N -0.09 1.77 0.00 4.92 0.52 0.21 -1.80 118.94 124.48 1rxc s TRP 53 Ca -0.03 -0.48 0.07 0.00 0.02 0.00 0.00 56.10 55.67 1rxc s TRP 53 Cb -0.14 -0.88 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 1rxc s TRP 53 CO 0.04 0.31 -0.21 0.50 0.02 0.00 0.00 176.95 177.62 1rxc s ARG 54 N -2.85 2.14 0.29 4.98 3.52 -0.32 -1.08 118.95 125.63 1rxc s ARG 54 Ca 0.16 -0.92 -0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1rxc s ARG 54 Cb -0.05 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 1rxc s ARG 54 CO 0.06 0.56 0.35 0.00 -0.81 0.00 0.00 175.30 175.46 1rxc s ALA 55 N -0.78 0.95 -0.05 6.12 0.00 0.06 -1.34 121.76 126.72 1rxc s ALA 55 Ca 0.12 -1.58 0.05 0.00 0.00 0.00 0.00 51.96 50.55 1rxc s ALA 55 Cb -0.10 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.27 1rxc s ALA 55 CO 0.02 -0.72 -0.21 -2.00 0.00 0.00 0.00 175.76 172.85 1rxc s GLU 56 N -3.56 2.47 -0.15 0.00 2.12 0.07 0.02 118.70 119.66 1rxc s GLU 56 Ca 0.34 -0.82 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 1rxc s GLU 56 Cb 0.02 -2.24 0.05 0.00 0.26 0.00 0.00 34.13 32.22 1rxc s GLU 56 CO 0.18 0.51 0.06 -1.17 -0.54 0.00 0.00 175.26 174.30 1rxc s LEU 57 N -0.46 0.60 -1.46 2.70 2.96 0.87 -1.63 118.68 122.27 1rxc s LEU 57 Ca 0.05 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1rxc s LEU 57 Cb -0.12 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.24 1rxc s LEU 57 CO 0.01 -0.31 0.43 0.47 -1.32 0.00 0.00 176.35 175.63 1rxc n ASP 58 N 5.20 -0.61 0.00 3.68 8.00 -1.26 -1.98 116.55 129.58 1rxc n ASP 58 Ca -0.07 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1rxc n ASP 58 Cb 0.49 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 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 -1.97 2.83 3.67 0.44 0.00 -1.26 -5.01 105.19 103.89 1rxc n GLY 59 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.00 2.92 0.30 1.61 1.02 -0.84 -5.05 119.74 119.71 1rxc s LYS 60 Ca 0.00 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 1rxc s LYS 60 Cb 0.00 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.47 1rxc s LYS 60 CO 0.00 0.69 1.13 -1.25 -0.92 0.00 0.00 175.35 175.00 1rxc s PRO 61 N -0.94 4.53 0.01 -1.68 0.04 -1.26 -0.09 135.00 135.61 1rxc s PRO 61 Ca 0.14 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1rxc s PRO 61 Cb -0.11 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1rxc s PRO 61 CO 0.03 0.10 -0.02 0.08 0.04 0.00 0.00 177.00 177.23 1rxc s VAL 62 N -1.21 0.10 -0.08 -0.36 1.01 0.10 -4.38 120.40 115.58 1rxc s VAL 62 Ca 0.47 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1rxc s VAL 62 Cb -0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1rxc s VAL 62 CO 0.41 -0.19 0.08 -0.63 0.00 0.00 0.00 175.10 174.77 1rxc s ILE 63 N -0.61 4.93 -0.15 2.22 -1.09 -0.95 -0.76 121.20 124.79 1rxc s ILE 63 Ca -0.06 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1rxc s ILE 63 Cb -0.04 -3.15 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1rxc s ILE 63 CO -0.00 0.55 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.39 1rxc s VAL 64 N -1.02 1.85 -0.04 2.92 1.01 -0.24 -0.43 120.40 124.44 1rxc s VAL 64 Ca 0.16 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1rxc s VAL 64 Cb -0.12 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.62 1rxc s VAL 64 CO 0.06 0.51 0.07 0.00 0.00 0.00 0.00 175.10 175.74 1rxc s SER 66 N 1.06 7.05 -0.13 0.00 1.04 -0.73 -3.41 113.70 118.58 1rxc s SER 66 Ca -0.09 1.36 0.19 0.00 0.48 0.00 0.00 55.95 57.89 1rxc s SER 66 Cb -0.12 -2.40 -0.27 0.00 0.10 0.00 0.00 66.02 63.34 1rxc s SER 66 CO -0.04 0.10 0.25 0.35 0.98 0.00 0.00 173.24 174.88 1rxc n THR 67 N 0.96 0.95 -2.22 2.02 -2.24 -0.72 -4.25 114.28 108.78 1rxc n THR 67 Ca -0.04 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1rxc n THR 67 Cb 0.51 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.57 -2.01 3.74 3.38 0.00 -0.77 -3.27 105.19 107.84 1rxc n GLY 68 Ca -0.22 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.06 5.05 0.00 -0.61 1.01 -1.26 -4.71 121.20 120.62 1rxc s ILE 69 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1rxc s ILE 69 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.56 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 2.90 -0.85 0.34 6.18 0.00 -1.25 -4.44 105.19 108.07 1rxc n GLY 70 Ca -0.06 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 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 1.29 0.21 -0.02 0.00 -1.85 -2.60 103.07 100.10 1rxc h GLY 71 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1rxc h GLY 71 CO 0.00 0.63 -0.49 -2.55 0.00 0.00 0.00 176.54 174.12 1rxc h PRO 72 N 1.18 -0.72 0.00 4.80 0.11 -1.94 0.19 132.00 135.62 1rxc h PRO 72 Ca 0.28 0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.37 1rxc h PRO 72 Cb 0.15 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1rxc h PRO 72 CO -0.03 -0.48 -0.36 0.66 -0.21 0.00 0.00 178.00 177.58 1rxc h SER 73 N -0.75 0.00 -0.67 -2.05 4.64 -1.77 -2.60 113.55 110.35 1rxc h SER 73 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1rxc h SER 73 Cb 0.75 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1rxc h SER 73 CO -0.26 0.36 0.14 0.74 -0.87 0.00 0.00 176.83 176.94 1rxc h THR 74 N 0.00 1.26 0.00 2.95 2.02 -1.08 -2.66 112.91 115.39 1rxc h THR 74 Ca -0.00 -0.99 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 1rxc h THR 74 Cb 0.69 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1rxc h THR 74 CO 0.05 0.38 -0.46 0.77 0.37 0.00 0.00 175.52 176.62 1rxc h SER 75 N 1.03 0.00 -0.11 4.18 4.64 -0.26 -1.32 113.55 121.71 1rxc h SER 75 Ca 0.21 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 1rxc h SER 75 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1rxc h SER 75 CO 0.01 0.46 -0.08 0.40 -0.87 0.00 0.00 176.83 176.74 1rxc h ILE 76 N 0.00 1.34 -0.58 0.95 2.04 -1.37 -2.62 117.51 117.27 1rxc h ILE 76 Ca -0.00 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 1rxc h ILE 76 Cb 0.93 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1rxc h ILE 76 CO 0.06 0.34 0.06 0.00 0.00 0.00 0.00 178.15 178.61 1rxc h ALA 77 N 0.61 0.78 -0.02 1.87 0.00 -1.22 -1.87 119.26 119.41 1rxc h ALA 77 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1rxc h ALA 77 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rxc h ALA 77 CO 0.02 0.56 -0.04 0.28 0.00 0.00 0.00 179.25 180.07 1rxc h VAL 78 N 0.89 1.43 -0.49 0.00 2.07 -1.33 -1.02 116.25 117.81 1rxc h VAL 78 Ca 0.17 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.45 1rxc h VAL 78 Cb 0.47 2.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.43 1rxc h VAL 78 CO 0.02 0.36 -0.11 -0.08 0.02 0.00 0.00 177.57 177.78 1rxc h GLU 79 N -0.47 0.01 -0.08 1.57 4.57 -1.47 -1.31 114.58 117.40 1rxc h GLU 79 Ca 0.00 -0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 1rxc h GLU 79 Cb 0.60 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1rxc h GLU 79 CO 0.01 0.01 -0.81 0.93 -1.18 0.00 0.00 179.01 177.97 1rxc h GLU 80 N 0.01 0.56 -0.29 1.92 5.08 -1.25 -1.08 114.58 119.53 1rxc h GLU 80 Ca 0.23 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1rxc h GLU 80 Cb 0.36 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1rxc h GLU 80 CO -0.49 1.12 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.56 1rxc h LEU 81 N 0.37 0.41 -0.32 1.33 3.38 -1.06 -2.47 115.31 116.94 1rxc h LEU 81 Ca -0.05 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 1rxc h LEU 81 Cb 1.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1rxc h LEU 81 CO 0.15 0.48 -0.73 0.00 0.09 0.00 0.00 178.44 178.43 1rxc h ALA 82 N 1.58 0.49 -0.74 1.53 0.00 -0.66 -1.58 119.26 119.88 1rxc h ALA 82 Ca 0.09 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.48 1rxc h ALA 82 Cb 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1rxc h ALA 82 CO 0.01 0.73 0.48 1.96 0.00 0.00 0.00 179.25 182.43 1rxc h GLN 83 N 0.40 0.71 -0.00 0.00 4.20 -0.98 -2.03 115.11 117.41 1rxc h GLN 83 Ca -0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1rxc h GLN 83 Cb 1.32 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1rxc h GLN 83 CO 0.14 0.47 -0.06 1.28 -0.67 0.00 0.00 178.83 179.99 1rxc n LEU 84 N -4.49 0.09 0.00 1.46 4.77 -0.90 -4.91 117.00 113.03 1rxc n LEU 84 Ca 0.11 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1rxc n LEU 84 Cb 0.26 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1rxc n LEU 84 CO 0.33 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1rxc n GLY 85 N 1.41 1.17 3.71 -0.72 0.00 -0.76 -4.82 105.19 105.19 1rxc n GLY 85 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.34 -0.15 -0.61 -1.09 -0.66 -4.46 121.20 116.56 1rxc s ILE 86 Ca 0.00 1.68 0.02 0.00 -2.23 0.00 0.00 60.65 60.12 1rxc s ILE 86 Cb 0.00 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1rxc s ILE 86 CO 0.00 0.12 0.23 0.54 -1.23 0.00 0.00 174.94 174.60 1rxc n ARG 87 N 4.00 4.26 -3.96 2.79 5.12 0.65 -4.30 116.66 125.23 1rxc n ARG 87 Ca 0.08 -0.19 -0.21 0.00 -1.93 0.00 0.00 57.85 55.61 1rxc n ARG 87 Cb 0.48 -0.73 -0.17 0.00 -1.16 0.00 0.00 32.46 30.88 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 -0.90 0.42 -0.16 0.55 2.01 -0.93 -0.72 115.64 115.90 1rxc s THR 88 Ca 0.01 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1rxc s THR 88 Cb 0.02 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 72.06 1rxc s THR 88 CO 0.07 0.23 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.77 1rxc s PHE 89 N 1.37 1.99 -0.36 4.92 0.08 0.56 -0.87 117.98 125.67 1rxc s PHE 89 Ca -0.04 -1.22 -0.05 0.00 0.12 0.00 0.00 56.93 55.74 1rxc s PHE 89 Cb -0.13 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 1rxc s PHE 89 CO -0.02 -0.65 0.14 -0.51 -0.10 0.00 0.00 175.22 174.07 1rxc s LEU 90 N 1.54 4.63 -0.03 -0.37 1.43 -0.25 -1.43 118.68 124.20 1rxc s LEU 90 Ca 0.02 -1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 51.35 1rxc s LEU 90 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1rxc s LEU 90 CO -0.09 -0.41 0.96 -0.60 0.23 0.00 0.00 176.35 176.44 1rxc s ARG 91 N 1.31 4.52 -0.09 1.70 6.06 -0.65 -0.50 118.95 131.29 1rxc s ARG 91 Ca 0.01 1.36 0.02 0.00 -2.50 0.00 0.00 55.73 54.62 1rxc s ARG 91 Cb -0.21 -3.48 0.01 0.00 0.06 0.00 0.00 34.95 31.33 1rxc s ARG 91 CO 0.00 -0.10 -0.16 -1.50 -2.50 0.00 0.00 175.30 171.04 1rxc s ILE 92 N 1.21 1.48 0.33 4.11 1.10 -1.22 -1.63 121.20 126.58 1rxc s ILE 92 Ca 0.50 -0.66 0.04 0.00 -0.51 0.00 0.00 60.65 60.02 1rxc s ILE 92 Cb -0.20 -1.34 -0.03 0.00 0.15 0.00 0.00 42.46 41.03 1rxc s ILE 92 CO 0.25 0.44 0.17 -0.83 -2.11 0.00 0.00 174.94 172.85 1rxc s GLY 93 N 0.80 2.19 0.17 1.50 0.00 -0.60 -4.28 107.32 107.11 1rxc s GLY 93 Ca -0.11 -1.71 0.10 0.00 0.00 0.00 0.00 44.72 43.00 1rxc s GLY 93 CO 0.02 -1.62 -0.22 -0.51 0.00 0.00 0.00 173.10 170.77 1rxc s THR 94 N -3.51 2.12 0.08 0.90 -4.23 -1.26 -2.04 115.64 107.69 1rxc s THR 94 Ca 0.34 -1.93 -0.24 0.00 -1.18 0.00 0.00 61.69 58.68 1rxc s THR 94 Cb 0.04 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.97 1rxc s THR 94 CO 0.18 -0.16 0.58 0.28 -0.54 0.00 0.00 174.62 174.96 1rxc s THR 95 N -1.70 0.01 0.95 3.99 -1.32 -0.48 -4.89 115.64 112.21 1rxc s THR 95 Ca 0.17 -0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 60.39 1rxc s THR 95 Cb -0.08 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.12 1rxc s THR 95 CO 0.08 -0.07 1.30 -0.83 -2.21 0.00 0.00 174.62 172.90 1rxc s GLY 96 N -2.19 1.80 0.08 6.08 0.00 -1.26 -1.48 107.32 110.35 1rxc s GLY 96 Ca -0.03 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.37 1rxc s GLY 96 CO -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 173.10 172.44 1rxc s ALA 97 N -3.84 0.82 -0.54 3.20 0.00 -0.95 -4.39 121.76 116.06 1rxc s ALA 97 Ca 0.75 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.60 1rxc s ALA 97 Cb -0.03 0.13 0.16 0.00 0.00 0.00 0.00 23.12 23.38 1rxc s ALA 97 CO 0.53 -0.18 1.11 0.44 0.00 0.00 0.00 175.76 177.66 1rxc n ILE 98 N 0.43 0.92 -4.56 0.00 -5.35 -0.38 -3.35 119.36 107.07 1rxc n ILE 98 Ca -0.16 -0.96 -0.33 0.00 -0.27 0.00 0.00 62.75 61.03 1rxc n ILE 98 Cb 0.59 0.55 -0.13 0.00 -1.74 0.00 0.00 39.64 38.91 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 -0.96 3.52 0.50 6.28 -1.52 -1.24 -4.88 119.66 121.36 1rxc s GLN 99 Ca 0.13 -0.60 0.24 0.00 -1.95 0.00 0.00 55.36 53.17 1rxc s GLN 99 Cb 0.07 -2.78 1.33 0.00 -0.22 0.00 0.00 33.01 31.40 1rxc s GLN 99 CO 0.09 0.20 2.05 -1.00 -0.25 0.00 0.00 175.29 176.38 1rxc h PRO 100 N 6.78 0.00 0.00 2.91 0.13 -1.93 -2.72 132.00 137.16 1rxc h PRO 100 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1rxc h PRO 100 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rxc h PRO 100 CO 0.59 0.14 0.00 -2.39 -0.23 0.00 0.00 178.00 176.11 1rxc n HIS 101 N -3.81 0.43 -3.18 1.56 1.44 -1.26 -4.70 115.22 105.71 1rxc n HIS 101 Ca -0.02 0.13 -0.40 0.00 -2.01 0.00 0.00 57.72 55.42 1rxc n HIS 101 Cb 0.24 -0.71 -0.07 0.00 0.12 0.00 0.00 29.99 29.58 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 -3.06 5.04 0.29 0.61 1.01 -1.03 -5.07 121.20 119.00 1rxc s ILE 102 Ca 0.12 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.83 1rxc s ILE 102 Cb 0.15 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1rxc s ILE 102 CO 0.54 0.09 0.44 0.20 0.00 0.00 0.00 174.94 176.21 1rxc s ASN 103 N 1.39 6.22 0.35 3.58 0.02 -1.26 -4.89 114.94 120.35 1rxc s ASN 103 Ca 0.24 0.12 -0.28 0.00 -1.02 0.00 0.00 52.86 51.92 1rxc s ASN 103 Cb -0.16 -1.76 -0.11 0.00 0.02 0.00 0.00 41.25 39.25 1rxc s ASN 103 CO 0.09 -0.23 1.42 -0.69 0.02 0.00 0.00 177.10 177.71 1rxc s VAL 104 N -2.13 2.33 0.00 1.60 1.01 -1.26 -2.48 120.40 119.48 1rxc s VAL 104 Ca 0.38 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1rxc s VAL 104 Cb -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1rxc s VAL 104 CO 0.31 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1rxc n GLY 105 N 0.67 3.27 3.77 4.51 0.00 -0.32 -5.02 105.19 112.07 1rxc n GLY 105 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.07 4.37 0.02 1.61 -0.00 -1.03 -4.80 116.67 115.77 1rxc s ASP 106 Ca 0.00 1.59 0.07 0.00 -0.00 0.00 0.00 52.55 54.21 1rxc s ASP 106 Cb 0.00 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.92 40.57 1rxc s ASP 106 CO 0.00 -2.09 -0.20 -0.69 -0.00 0.00 0.00 175.17 172.19 1rxc s VAL 107 N -2.99 2.61 -0.15 -1.27 1.01 -1.04 -1.35 120.40 117.22 1rxc s VAL 107 Ca 0.61 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1rxc s VAL 107 Cb -0.16 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1rxc s VAL 107 CO 0.56 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 175.11 1rxc s LEU 108 N -1.23 2.28 -0.19 3.92 1.43 0.45 -1.08 118.68 124.26 1rxc s LEU 108 Ca 0.13 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1rxc s LEU 108 Cb -0.10 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1rxc s LEU 108 CO 0.03 0.07 -0.02 -0.69 0.23 0.00 0.00 176.35 175.98 1rxc s VAL 109 N 0.87 3.79 -0.33 -1.59 1.01 -0.06 -1.22 120.40 122.87 1rxc s VAL 109 Ca -0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1rxc s VAL 109 Cb -0.15 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1rxc s VAL 109 CO -0.02 0.44 0.49 -0.89 0.00 0.00 0.00 175.10 175.12 1rxc s THR 110 N 0.95 5.05 0.09 3.92 2.01 -0.98 -2.22 115.64 124.46 1rxc s THR 110 Ca 0.01 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 1rxc s THR 110 Cb -0.14 -3.91 -0.23 0.00 0.01 0.00 0.00 72.50 68.23 1rxc s THR 110 CO 0.01 -0.12 1.20 0.71 -0.69 0.00 0.00 174.62 175.74 1rxc h THR 111 N 5.55 1.32 -2.82 -0.82 1.35 -1.48 -3.40 112.91 112.61 1rxc h THR 111 Ca -0.28 -2.36 0.10 0.00 -0.55 0.00 0.00 66.41 63.31 1rxc h THR 111 Cb 1.13 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 69.96 1rxc h THR 111 CO 0.75 0.72 0.30 0.00 -0.25 0.00 0.00 175.52 177.04 1rxc s ALA 112 N -3.23 -1.33 -0.02 6.62 0.00 -1.26 -0.88 121.76 121.68 1rxc s ALA 112 Ca -0.08 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1rxc s ALA 112 Cb 0.07 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1rxc s ALA 112 CO 0.91 -1.04 -0.16 -1.12 0.00 0.00 0.00 175.76 174.35 1rxc s SER 113 N -2.93 1.90 0.07 0.00 0.01 -0.39 -1.85 113.70 110.52 1rxc s SER 113 Ca 0.12 -0.30 -0.31 0.00 1.31 0.00 0.00 55.95 56.77 1rxc s SER 113 Cb -0.05 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.86 1rxc s SER 113 CO 0.06 0.19 1.44 -0.69 0.41 0.00 0.00 173.24 174.65 1rxc s VAL 114 N -0.33 3.38 -1.22 3.43 1.01 0.15 -4.33 120.40 122.50 1rxc s VAL 114 Ca 0.05 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 1rxc s VAL 114 Cb -0.07 -3.58 0.17 0.00 0.00 0.00 0.00 36.38 32.90 1rxc s VAL 114 CO -0.00 0.04 1.45 0.54 0.00 0.00 0.00 175.10 177.13 1rxc n ARG 115 N 4.67 3.37 -1.26 2.72 1.74 -1.26 -1.67 116.66 124.96 1rxc n ARG 115 Ca 0.13 -3.83 -0.31 0.00 -0.77 0.00 0.00 57.85 53.07 1rxc n ARG 115 Cb 0.42 -3.06 0.10 0.00 -1.02 0.00 0.00 32.46 28.91 1rxc n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxc n LEU 116 N 5.72 7.36 -4.65 0.55 4.77 -0.40 -4.94 117.00 125.40 1rxc n LEU 116 Ca 0.37 -4.03 -0.29 0.00 -0.03 0.00 0.00 56.01 52.03 1rxc n LEU 116 Cb 0.43 -0.95 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1rxc n LEU 116 CO 0.63 1.34 -0.25 1.51 -1.33 0.00 0.00 177.39 179.30 1rxc s ASP 117 N -1.54 3.61 -0.16 -1.43 -4.77 -1.20 -1.99 116.67 109.19 1rxc s ASP 117 Ca 0.60 -1.58 0.07 0.00 -3.30 0.00 0.00 52.55 48.34 1rxc s ASP 117 Cb 0.48 0.29 -0.15 0.00 -1.09 0.00 0.00 42.92 42.45 1rxc s ASP 117 CO 0.02 -0.77 -0.06 0.61 0.70 0.00 0.00 175.17 175.66 1rxc n GLY 118 N -1.07 -0.46 0.28 2.12 0.00 -1.26 -4.73 105.19 100.06 1rxc n GLY 118 Ca -0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 0.33 0.90 -0.97 4.61 0.00 -1.98 -2.64 119.26 119.52 1rxc h ALA 119 Ca -0.40 -0.34 0.17 0.00 0.00 0.00 0.00 54.91 54.34 1rxc h ALA 119 Cb 1.75 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 1rxc h ALA 119 CO -0.02 0.63 0.61 0.66 0.00 0.00 0.00 179.25 181.13 1rxc h SER 120 N 0.78 0.73 0.10 0.00 4.64 -1.85 0.12 113.55 118.07 1rxc h SER 120 Ca 0.12 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1rxc h SER 120 Cb 0.64 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1rxc h SER 120 CO 0.04 0.32 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.24 1rxc h LEU 121 N 0.75 0.00 0.00 5.97 3.38 -1.58 -0.03 115.31 123.81 1rxc h LEU 121 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1rxc h LEU 121 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1rxc h LEU 121 CO -0.28 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.67 1rxc n HIS 122 N -3.40 0.00 -0.01 1.13 8.25 0.43 -3.94 115.22 117.68 1rxc n HIS 122 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1rxc n HIS 122 Cb 0.10 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 -1.36 0.00 -3.57 4.41 3.72 -0.12 -5.08 117.46 115.46 1rxc n PHE 123 Ca 0.10 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.33 1rxc n PHE 123 Cb 0.24 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.11 -1.66 0.89 4.37 0.00 -0.60 -5.00 121.76 117.65 1rxc s ALA 124 Ca -0.01 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1rxc s ALA 124 Cb 0.01 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.05 1rxc s ALA 124 CO 0.12 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 175.38 1rxc s PRO 125 N -0.91 1.29 0.52 0.00 0.04 -1.26 -3.88 135.00 130.81 1rxc s PRO 125 Ca -0.09 1.04 0.19 0.00 0.04 0.00 0.00 61.00 62.19 1rxc s PRO 125 Cb -0.01 -1.80 1.32 0.00 0.04 0.00 0.00 34.50 34.05 1rxc s PRO 125 CO 0.08 -2.28 2.10 1.25 0.04 0.00 0.00 177.00 178.18 1rxc h LEU 126 N -1.59 0.00 -1.84 -3.56 5.85 -1.94 -2.00 115.31 110.23 1rxc h LEU 126 Ca -0.48 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1rxc h LEU 126 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1rxc h LEU 126 CO 0.51 0.00 -0.14 1.05 -0.34 0.00 0.00 178.44 179.52 1rxc h GLU 127 N 0.00 0.00 -6.69 1.25 9.09 -2.03 -3.43 114.58 112.77 1rxc h GLU 127 Ca 0.09 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.98 1rxc h GLU 127 Cb 0.37 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.51 1rxc h GLU 127 CO -0.00 0.14 0.73 0.12 0.05 0.00 0.00 179.01 180.04 1rxc s PHE 128 N -4.46 3.13 0.17 2.06 5.36 -0.76 -4.99 117.98 118.50 1rxc s PHE 128 Ca -0.04 1.06 -0.29 0.00 -0.96 0.00 0.00 56.93 56.70 1rxc s PHE 128 Cb 0.15 -3.74 -0.07 0.00 -0.34 0.00 0.00 43.02 39.02 1rxc s PHE 128 CO 0.64 -2.41 0.92 -1.25 -1.46 0.00 0.00 175.22 171.65 1rxc s PRO 129 N -0.04 4.74 -1.39 10.12 0.04 -1.26 -4.95 135.00 142.27 1rxc s PRO 129 Ca 0.60 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1rxc s PRO 129 Cb -0.40 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 30.90 1rxc s PRO 129 CO 0.39 0.40 2.05 0.00 0.04 0.00 0.00 177.00 179.88 1rxc n ALA 130 N 2.07 5.17 -2.82 8.56 0.00 -1.26 -4.76 120.51 127.46 1rxc n ALA 130 Ca -0.01 -3.99 -0.36 0.00 0.00 0.00 0.00 53.44 49.08 1rxc n ALA 130 Cb 0.48 -3.40 -0.07 0.00 0.00 0.00 0.00 19.45 16.46 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 2.62 5.15 0.30 0.00 0.11 -1.26 -1.26 120.40 126.06 1rxc s VAL 131 Ca 0.46 0.04 -0.27 0.00 -2.93 0.00 0.00 61.98 59.27 1rxc s VAL 131 Cb 0.11 -3.24 -0.10 0.00 -1.53 0.00 0.00 36.38 31.62 1rxc s VAL 131 CO -0.04 0.58 0.95 0.00 -3.33 0.00 0.00 175.10 173.27 1rxc s ALA 132 N -1.02 3.25 0.30 1.54 0.00 -0.06 -4.65 121.76 121.13 1rxc s ALA 132 Ca 0.16 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 1rxc s ALA 132 Cb -0.12 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 1rxc s ALA 132 CO 0.05 0.15 1.18 -3.47 0.00 0.00 0.00 175.76 173.67 1rxc n ASP 133 N 0.84 2.09 0.00 0.00 -0.08 -0.24 -4.92 116.55 114.24 1rxc n ASP 133 Ca 0.01 1.19 -0.09 0.00 -1.51 0.00 0.00 54.79 54.38 1rxc n ASP 133 Cb 0.49 -1.39 0.06 0.00 2.34 0.00 0.00 41.12 42.62 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 2.50 0.69 -0.32 -0.67 3.04 -1.96 -2.06 116.94 118.17 1rxc h PHE 134 Ca -0.43 -0.24 -0.14 0.00 3.98 0.00 0.00 57.97 61.14 1rxc h PHE 134 Cb 1.31 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1rxc h PHE 134 CO 0.50 0.96 -0.36 0.93 -2.02 0.00 0.00 178.31 178.33 1rxc h GLU 135 N 0.44 0.73 -0.38 1.11 5.08 -1.95 -0.49 114.58 119.11 1rxc h GLU 135 Ca 0.01 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.89 1rxc h GLU 135 Cb 1.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1rxc h GLU 135 CO 0.10 0.97 -0.25 0.00 -1.00 0.00 0.00 179.01 178.82 1rxc h THR 137 N 0.65 1.27 -0.54 0.00 2.02 -1.31 -1.30 112.91 113.71 1rxc h THR 137 Ca 0.08 -0.98 0.08 0.00 0.77 0.00 0.00 66.41 66.36 1rxc h THR 137 Cb 0.83 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 1rxc h THR 137 CO 0.07 0.30 0.19 0.74 0.37 0.00 0.00 175.52 177.20 1rxc h THR 138 N 0.16 0.81 -0.35 3.16 2.02 -1.10 -1.52 112.91 116.09 1rxc h THR 138 Ca 0.06 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1rxc h THR 138 Cb 0.46 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1rxc h THR 138 CO 0.02 0.07 -0.16 0.00 0.37 0.00 0.00 175.52 175.81 1rxc h ALA 139 N 1.36 1.06 -0.18 6.16 0.00 -1.10 -0.84 119.26 125.72 1rxc h ALA 139 Ca 0.26 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1rxc h ALA 139 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rxc h ALA 139 CO -0.26 0.57 -0.62 -0.07 0.00 0.00 0.00 179.25 178.87 1rxc h LEU 140 N 0.58 0.72 -0.47 0.00 3.38 -0.94 -0.91 115.31 117.67 1rxc h LEU 140 Ca 0.09 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 1rxc h LEU 140 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1rxc h LEU 140 CO 0.04 1.17 -0.34 0.58 0.09 0.00 0.00 178.44 179.98 1rxc h VAL 141 N 0.47 1.27 -0.56 1.22 2.07 -1.08 -1.78 116.25 117.86 1rxc h VAL 141 Ca -0.01 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 1rxc h VAL 141 Cb 1.20 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1rxc h VAL 141 CO 0.12 0.50 -0.07 -0.33 0.02 0.00 0.00 177.57 177.82 1rxc h GLU 142 N 0.75 1.02 -0.55 1.57 5.08 -1.08 -1.62 114.58 119.74 1rxc h GLU 142 Ca 0.07 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 1rxc h GLU 142 Cb 0.91 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1rxc h GLU 142 CO 0.08 1.04 -0.08 0.00 -1.00 0.00 0.00 179.01 179.05 1rxc h ALA 143 N 0.99 0.81 -0.69 3.43 0.00 -1.05 -2.06 119.26 120.69 1rxc h ALA 143 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1rxc h ALA 143 Cb 0.62 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1rxc h ALA 143 CO 0.04 0.67 0.15 0.00 0.00 0.00 0.00 179.25 180.11 1rxc h ALA 144 N 0.98 0.97 0.00 0.00 0.00 -1.07 -2.65 119.26 117.49 1rxc h ALA 144 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1rxc h ALA 144 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rxc h ALA 144 CO 0.04 0.66 -0.42 -0.22 0.00 0.00 0.00 179.25 179.31 1rxc h LYS 145 N 1.05 0.00 0.00 0.00 3.11 -1.08 -2.00 116.57 117.64 1rxc h LYS 145 Ca 0.22 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.90 1rxc h LYS 145 Cb 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 1rxc h LYS 145 CO 0.00 0.42 -0.72 0.66 -2.81 0.00 0.00 179.45 177.00 1rxc h SER 146 N 0.00 0.00 -0.29 4.20 4.64 -1.08 -3.15 113.55 117.87 1rxc h SER 146 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rxc h SER 146 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1rxc h SER 146 CO 0.05 0.72 0.00 2.30 -0.87 0.00 0.00 176.83 179.04 1rxc n ILE 147 N -3.47 0.36 -2.35 0.95 -5.35 -1.02 -5.01 119.36 103.46 1rxc n ILE 147 Ca 0.00 -0.66 -0.06 0.00 -0.27 0.00 0.00 62.75 61.75 1rxc n ILE 147 Cb 0.76 1.09 0.03 0.00 -1.74 0.00 0.00 39.64 39.78 1rxc n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rxc n GLY 148 N 1.46 0.09 3.91 3.28 0.00 -0.85 -5.06 105.19 108.03 1rxc n GLY 148 Ca 0.18 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.15 3.99 -0.57 4.61 0.00 -0.81 -5.05 121.76 120.77 1rxc s ALA 149 Ca 0.11 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1rxc s ALA 149 Cb -0.01 -1.83 0.05 0.00 0.00 0.00 0.00 23.12 21.32 1rxc s ALA 149 CO 0.30 0.81 0.94 0.95 0.00 0.00 0.00 175.76 178.76 1rxc s THR 150 N -1.48 4.38 0.16 0.00 -4.23 -1.26 -4.77 115.64 108.45 1rxc s THR 150 Ca 0.34 0.16 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 1rxc s THR 150 Cb -0.13 -4.56 -0.04 0.00 1.34 0.00 0.00 72.50 69.11 1rxc s THR 150 CO 0.26 -1.17 0.31 -0.89 -0.54 0.00 0.00 174.62 172.60 1rxc s THR 151 N 3.95 5.30 -0.06 3.99 2.01 -1.26 -2.50 115.64 127.06 1rxc s THR 151 Ca 0.29 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1rxc s THR 151 Cb -0.13 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1rxc s THR 151 CO 0.18 -0.09 -0.06 -1.00 -0.69 0.00 0.00 174.62 172.96 1rxc s HIS 152 N -1.76 0.98 -0.18 4.92 3.76 -0.24 -4.94 115.29 117.82 1rxc s HIS 152 Ca 0.36 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 1rxc s HIS 152 Cb -0.11 -0.85 0.01 0.00 1.11 0.00 0.00 32.58 32.73 1rxc s HIS 152 CO 0.29 -0.28 -0.14 0.08 -0.85 0.00 0.00 174.74 173.83 1rxc s VAL 153 N 1.17 2.60 -1.23 -0.90 1.01 -1.26 -0.88 120.40 120.91 1rxc s VAL 153 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1rxc s VAL 153 Cb -0.14 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1rxc s VAL 153 CO -0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1rxc n GLY 154 N 4.49 -0.56 3.85 4.51 0.00 -0.94 -4.97 105.19 111.57 1rxc n GLY 154 Ca -0.20 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.07 5.09 0.01 1.61 1.01 -1.26 -1.14 120.40 122.64 1rxc s VAL 155 Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1rxc s VAL 155 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1rxc s VAL 155 CO 0.00 0.46 -0.24 -0.89 0.00 0.00 0.00 175.10 174.43 1rxc s THR 156 N -1.21 2.25 -0.16 3.92 2.01 -0.77 -1.26 115.64 120.43 1rxc s THR 156 Ca 0.27 -1.18 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 1rxc s THR 156 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1rxc s THR 156 CO 0.15 0.48 0.54 0.00 -0.69 0.00 0.00 174.62 175.09 1rxc s ALA 157 N -0.72 3.50 -0.25 7.40 0.00 -0.14 0.31 121.76 131.86 1rxc s ALA 157 Ca 0.11 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1rxc s ALA 157 Cb -0.10 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.28 1rxc s ALA 157 CO 0.01 -0.28 -0.12 0.45 0.00 0.00 0.00 175.76 175.82 1rxc s SER 158 N 0.96 4.31 -0.03 0.00 0.15 -0.67 -1.65 113.70 116.76 1rxc s SER 158 Ca 0.26 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.64 1rxc s SER 158 Cb -0.16 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1rxc s SER 158 CO 0.11 -0.17 -0.09 -0.55 1.20 0.00 0.00 173.24 173.73 1rxc s SER 159 N 1.13 4.43 0.07 5.45 0.15 -0.20 -1.28 113.70 123.45 1rxc s SER 159 Ca -0.07 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.67 1rxc s SER 159 Cb -0.19 -1.02 0.94 0.00 -1.71 0.00 0.00 66.02 64.04 1rxc s SER 159 CO -0.06 0.32 1.73 0.47 1.20 0.00 0.00 173.24 176.90 1rxc n ASP 160 N 1.95 0.23 -4.32 5.45 10.43 -0.84 -4.32 116.55 125.13 1rxc n ASP 160 Ca -0.17 0.54 -0.20 0.00 2.57 0.00 0.00 54.79 57.53 1rxc n ASP 160 Cb 0.53 -0.59 -0.11 0.00 1.84 0.00 0.00 41.12 42.79 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 -3.06 1.73 0.04 -3.53 -4.23 -1.26 -5.00 115.64 100.33 1rxc s THR 161 Ca 0.10 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1rxc s THR 161 Cb 0.14 -1.85 -0.25 0.00 1.34 0.00 0.00 72.50 71.87 1rxc s THR 161 CO 0.44 -0.40 1.00 0.15 -0.54 0.00 0.00 174.62 175.26 1rxc h PHE 162 N 3.11 0.29 0.00 3.99 3.57 -1.97 -3.39 116.94 122.54 1rxc h PHE 162 Ca -0.41 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 60.88 1rxc h PHE 162 Cb 1.21 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1rxc h PHE 162 CO 0.69 1.22 0.00 0.66 -2.23 0.00 0.00 178.31 178.64 1rxc n TYR 163 N -3.39 0.00 -0.02 0.41 4.02 -1.26 -4.32 117.16 112.60 1rxc n TYR 163 Ca -0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.79 1rxc n TYR 163 Cb 1.01 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.65 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 0.58 0.00 -0.72 0.13 -1.88 -1.05 132.00 129.06 1rxc h PRO 164 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1rxc h PRO 164 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1rxc h PRO 164 CO 0.00 0.52 0.00 0.78 -0.23 0.00 0.00 178.00 179.07 1rxc h GLY 165 N 0.78 0.00 -2.74 1.56 0.00 -1.87 -1.48 103.07 99.32 1rxc h GLY 165 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1rxc h GLY 165 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 1rxc n GLN 166 N -2.82 3.88 -4.04 4.80 6.02 -0.72 -4.94 117.38 119.56 1rxc n GLN 166 Ca 0.02 -2.91 -0.28 0.00 -0.01 0.00 0.00 57.00 53.82 1rxc n GLN 166 Cb 0.33 -1.96 -0.04 0.00 1.02 0.00 0.00 30.24 29.58 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 0.52 -2.50 -3.26 -1.09 2.13 -0.56 -4.95 120.64 110.92 1rxc n GLU 167 Ca 0.24 0.31 -0.38 0.00 0.66 0.00 0.00 57.16 57.99 1rxc n GLU 167 Cb 0.96 -4.20 -0.06 0.00 0.27 0.00 0.00 31.44 28.41 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 -6.78 4.32 0.00 5.31 0.52 -0.48 -4.96 118.95 116.88 1rxc s ARG 168 Ca 0.03 0.50 0.18 0.00 -0.52 0.00 0.00 55.73 55.92 1rxc s ARG 168 Cb -0.01 -3.47 -0.14 0.00 0.52 0.00 0.00 34.95 31.85 1rxc s ARG 168 CO 0.92 0.07 0.83 0.66 0.02 0.00 0.00 175.30 177.80 1rxc n TYR 169 N 3.96 0.00 -1.76 -0.53 4.01 -1.26 -4.40 117.16 117.17 1rxc n TYR 169 Ca -0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 1rxc n TYR 169 Cb 0.51 0.00 -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 -1.00 5.07 -3.77 7.72 5.75 -1.26 -4.23 116.55 124.83 1rxc n ASP 170 Ca 0.05 -2.85 -0.14 0.00 -0.01 0.00 0.00 54.79 51.84 1rxc n ASP 170 Cb 0.32 -1.60 -0.07 0.00 -1.03 0.00 0.00 41.12 38.73 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 2.40 0.00 0.14 2.12 -4.23 -1.26 -5.03 115.64 109.78 1rxc s THR 171 Ca 0.50 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 59.03 1rxc s THR 171 Cb 0.14 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1rxc s THR 171 CO -0.07 0.00 1.74 0.22 -0.54 0.00 0.00 174.62 175.97 1rxc h TYR 172 N 2.34 0.10 0.00 3.99 5.03 -1.99 -2.75 116.97 123.69 1rxc h TYR 172 Ca -0.30 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 60.83 1rxc h TYR 172 Cb 1.24 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.49 1rxc h TYR 172 CO 0.90 0.03 -0.99 0.66 -1.32 0.00 0.00 178.16 177.44 1rxc h SER 173 N 0.16 0.00 -0.38 -2.11 4.64 -1.98 -3.47 113.55 110.41 1rxc h SER 173 Ca 0.12 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1rxc h SER 173 Cb 0.12 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 1rxc h SER 173 CO -0.15 0.87 -0.15 0.61 -0.87 0.00 0.00 176.83 177.14 1rxc n GLY 174 N 1.35 0.89 3.36 -0.77 0.00 -1.04 -4.98 105.19 104.00 1rxc n GLY 174 Ca -0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.42 1.37 -0.05 1.61 1.70 -1.26 -4.91 118.95 114.99 1rxc s ARG 175 Ca 0.00 -1.56 0.02 0.00 -0.47 0.00 0.00 55.73 53.72 1rxc s ARG 175 Cb 0.00 -1.29 0.02 0.00 -0.57 0.00 0.00 34.95 33.10 1rxc s ARG 175 CO 0.00 0.24 -0.08 0.08 -1.08 0.00 0.00 175.30 174.46 1rxc s VAL 176 N -2.59 0.76 0.55 4.99 1.01 -1.26 -4.93 120.40 118.93 1rxc s VAL 176 Ca 0.21 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 1rxc s VAL 176 Cb -0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1rxc s VAL 176 CO 0.08 0.26 1.16 0.55 0.00 0.00 0.00 175.10 177.16 1rxc n VAL 177 N 3.79 3.62 -0.26 2.92 3.14 -1.26 -4.56 118.33 125.72 1rxc n VAL 177 Ca -0.23 -0.50 0.04 0.00 -2.96 0.00 0.00 64.34 60.69 1rxc n VAL 177 Cb 0.52 -1.39 0.14 0.00 -1.06 0.00 0.00 33.84 32.04 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 1.07 0.06 -0.93 1.45 2.43 -2.00 -0.84 114.38 115.62 1rxc h ARG 178 Ca -0.49 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.86 1rxc h ARG 178 Cb 1.33 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 1rxc h ARG 178 CO 0.55 0.04 0.60 1.25 -1.51 0.00 0.00 179.97 180.89 1rxc h HIS 179 N 0.06 0.75 -0.02 2.20 2.76 -2.03 -2.35 115.15 116.52 1rxc h HIS 179 Ca 0.40 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1rxc h HIS 179 Cb 0.69 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1rxc h HIS 179 CO -0.49 0.21 -0.32 1.19 -1.30 0.00 0.00 177.93 177.22 1rxc n PHE 180 N -4.59 0.00 -2.12 5.26 3.01 -0.38 -4.75 117.46 113.89 1rxc n PHE 180 Ca 0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.24 1rxc n PHE 180 Cb 0.61 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.05 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 -2.20 4.24 0.00 -1.08 2.20 -0.85 -2.27 119.74 119.79 1rxc s LYS 181 Ca 0.19 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 1rxc s LYS 181 Cb 0.17 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1rxc s LYS 181 CO 0.46 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1rxc n GLY 182 N 3.80 1.26 0.26 5.54 0.00 -1.26 -4.93 105.19 109.85 1rxc n GLY 182 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.81 -0.78 1.61 4.64 -1.75 -2.99 113.55 115.09 1rxc h SER 183 Ca 0.00 -0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1rxc h SER 183 Cb 0.00 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 61.81 1rxc h SER 183 CO 0.00 0.79 0.45 -0.03 -0.87 0.00 0.00 176.83 177.17 1rxc h MET 184 N 0.79 0.77 -0.77 4.77 -1.53 -1.92 -1.55 114.93 115.48 1rxc h MET 184 Ca 0.18 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.39 1rxc h MET 184 Cb 0.26 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.10 1rxc h MET 184 CO -0.01 0.51 0.43 1.49 0.14 0.00 0.00 176.91 179.47 1rxc h GLU 185 N 0.79 1.06 -0.28 0.39 4.81 -1.94 -1.90 114.58 117.52 1rxc h GLU 185 Ca 0.36 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1rxc h GLU 185 Cb 0.27 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1rxc h GLU 185 CO -0.21 0.78 0.11 0.93 -0.73 0.00 0.00 179.01 179.88 1rxc h GLU 186 N 1.06 0.42 -0.45 1.92 4.39 -1.18 -2.37 114.58 118.36 1rxc h GLU 186 Ca 0.27 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1rxc h GLU 186 Cb 0.02 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1rxc h GLU 186 CO -0.05 0.44 0.23 -1.49 -1.16 0.00 0.00 179.01 176.99 1rxc h TRP 187 N 0.30 0.61 -0.42 4.33 -0.00 -1.15 -1.83 115.95 117.79 1rxc h TRP 187 Ca 0.09 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.93 1rxc h TRP 187 Cb 0.18 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 1rxc h TRP 187 CO -0.01 0.44 0.07 1.96 -0.00 0.00 0.00 178.44 180.91 1rxc h GLN 188 N 0.63 0.69 0.00 0.49 4.20 -1.05 -0.60 115.11 119.48 1rxc h GLN 188 Ca 0.16 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1rxc h GLN 188 Cb 0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1rxc h GLN 188 CO -0.02 0.73 -0.31 0.00 -0.67 0.00 0.00 178.83 178.55 1rxc h ALA 189 N 0.94 1.10 -0.05 3.87 0.00 -1.13 -2.57 119.26 121.42 1rxc h ALA 189 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rxc h ALA 189 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rxc h ALA 189 CO 0.01 0.39 0.00 -1.33 0.00 0.00 0.00 179.25 178.32 1rxc n MET 190 N -3.61 1.35 -0.72 0.00 2.81 -0.71 -4.92 117.12 111.32 1rxc n MET 190 Ca -0.01 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.37 1rxc n MET 190 Cb 0.44 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.02 0.62 3.75 3.03 0.00 -0.91 -5.03 105.19 107.67 1rxc n GLY 191 Ca 0.18 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1rxc n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 192 N -2.00 2.84 -0.02 1.61 1.01 -0.28 -4.53 120.40 119.03 1rxc s VAL 192 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 1rxc s VAL 192 Cb 0.00 -3.46 -0.27 0.00 0.00 0.00 0.00 36.38 32.65 1rxc s VAL 192 CO 0.00 0.12 0.76 0.24 0.00 0.00 0.00 175.10 176.22 1rxc h MET 193 N 4.90 0.23 -2.35 2.72 0.00 -1.50 -3.42 114.93 115.51 1rxc h MET 193 Ca -0.46 -0.39 0.16 0.00 0.00 0.00 0.00 59.70 59.01 1rxc h MET 193 Cb 1.22 0.14 -0.10 0.00 0.00 0.00 0.00 31.60 32.86 1rxc h MET 193 CO 0.76 1.06 0.48 0.54 0.00 0.00 0.00 176.91 179.75 1rxc s ASN 194 N -6.89 -0.23 -0.08 1.22 4.22 -1.26 -1.25 114.94 110.67 1rxc s ASN 194 Ca -0.11 -0.31 0.00 0.00 -2.14 0.00 0.00 52.86 50.31 1rxc s ASN 194 Cb 0.07 0.47 -0.03 0.00 1.28 0.00 0.00 41.25 43.04 1rxc s ASN 194 CO 0.84 -0.84 -0.07 -0.31 -2.04 0.00 0.00 177.10 174.67 1rxc s TYR 195 N -3.26 2.93 0.00 1.54 1.51 -1.26 -0.97 117.35 117.84 1rxc s TYR 195 Ca 0.10 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 1rxc s TYR 195 Cb -0.01 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1rxc s TYR 195 CO -0.01 0.27 0.00 -0.85 -1.11 0.00 0.00 175.55 173.86 1rxc n GLU 196 N 2.39 0.00 0.00 -0.62 -0.00 -0.66 -4.46 120.64 117.30 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 0.50 0.00 3.44 2.81 -1.26 -1.03 117.12 121.58 1rxc n MET 197 Ca 0.00 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 1rxc n MET 197 Cb 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 -0.11 3.35 -0.08 0.03 4.71 -1.26 -3.53 120.64 123.75 1rxc n GLU 198 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1rxc n GLU 198 Cb 0.30 -0.60 0.05 0.00 -1.01 0.00 0.00 31.44 30.18 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 0.82 -0.55 1.62 4.64 -1.94 -2.21 113.55 115.94 1rxc h SER 199 Ca 0.00 -0.34 0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1rxc h SER 199 Cb 0.00 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.81 1rxc h SER 199 CO 0.00 1.08 0.28 0.00 -0.87 0.00 0.00 176.83 177.32 1rxc h ALA 200 N 0.97 0.71 -0.08 5.18 0.00 -1.87 0.14 119.26 124.31 1rxc h ALA 200 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rxc h ALA 200 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rxc h ALA 200 CO 0.08 -0.05 0.04 1.15 0.00 0.00 0.00 179.25 180.46 1rxc h THR 201 N 0.55 1.11 -0.02 0.00 2.02 -1.87 -2.28 112.91 112.42 1rxc h THR 201 Ca 0.24 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1rxc h THR 201 Cb 0.14 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1rxc h THR 201 CO -0.16 0.10 0.00 0.25 0.37 0.00 0.00 175.52 176.08 1rxc h LEU 202 N 0.00 0.03 -0.59 2.58 5.85 -1.00 -1.06 115.31 121.12 1rxc h LEU 202 Ca 0.03 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1rxc h LEU 202 Cb 0.12 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1rxc h LEU 202 CO -0.00 0.28 0.11 -0.07 -0.34 0.00 0.00 178.44 178.41 1rxc h LEU 203 N -0.23 0.93 -0.10 2.25 3.38 -0.83 -2.07 115.31 118.64 1rxc h LEU 203 Ca 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1rxc h LEU 203 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1rxc h LEU 203 CO 0.00 0.94 -0.02 0.74 0.09 0.00 0.00 178.44 180.19 1rxc h THR 204 N 0.87 1.29 0.00 0.22 2.02 -1.40 -0.33 112.91 115.58 1rxc h THR 204 Ca 0.18 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1rxc h THR 204 Cb 0.40 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1rxc h THR 204 CO 0.01 0.26 -0.30 0.00 0.37 0.00 0.00 175.52 175.87 1rxc h MET 205 N -0.14 0.00 0.02 6.66 -0.00 -1.15 -2.27 114.93 118.05 1rxc h MET 205 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.66 1rxc h MET 205 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.02 1rxc h MET 205 CO 0.01 0.30 -0.35 0.00 -0.00 0.00 0.00 176.91 176.87 1rxc h ALA 207 N -0.08 1.00 -0.41 0.00 0.00 -0.99 -1.82 119.26 116.96 1rxc h ALA 207 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rxc h ALA 207 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rxc h ALA 207 CO -0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1rxc n SER 208 N -2.93 3.23 -0.03 0.00 3.41 -0.86 -4.43 113.62 112.00 1rxc n SER 208 Ca -0.02 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1rxc n SER 208 Cb 0.14 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.12 0.91 -1.05 4.33 6.02 -0.74 -5.02 117.38 122.95 1rxc n GLN 209 Ca 0.17 -0.88 -0.02 0.00 -0.01 0.00 0.00 57.00 56.26 1rxc n GLN 209 Cb 0.51 -0.67 -0.01 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.19 0.53 3.88 1.08 0.00 -0.97 -5.03 105.19 104.49 1rxc n GLY 210 Ca 0.00 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1rxc n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 211 N -0.40 4.38 0.02 0.99 1.43 -0.86 -5.05 118.68 119.18 1rxc s LEU 211 Ca 0.00 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 1rxc s LEU 211 Cb 0.00 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1rxc s LEU 211 CO 0.00 0.40 0.71 -0.13 0.23 0.00 0.00 176.35 177.56 1rxc s ARG 212 N -1.11 4.44 0.02 1.70 0.52 0.10 -3.89 118.95 120.73 1rxc s ARG 212 Ca 0.16 0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 56.31 1rxc s ARG 212 Cb -0.12 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 1rxc s ARG 212 CO 0.05 0.27 -0.01 0.00 0.02 0.00 0.00 175.30 175.64 1rxc s ALA 213 N 0.03 0.11 0.18 2.13 0.00 -1.26 -0.32 121.76 122.62 1rxc s ALA 213 Ca 0.36 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 1rxc s ALA 213 Cb -0.19 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1rxc s ALA 213 CO 0.21 -0.19 0.29 0.20 0.00 0.00 0.00 175.76 176.27 1rxc s GLY 214 N -1.61 0.60 -0.08 0.00 0.00 -0.51 -1.08 107.32 104.64 1rxc s GLY 214 Ca -0.13 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 1rxc s GLY 214 CO -0.02 -0.88 0.22 -0.29 0.00 0.00 0.00 173.10 172.14 1rxc s MET 215 N -4.00 0.28 0.03 2.90 1.75 -1.26 -1.63 119.30 117.37 1rxc s MET 215 Ca 0.20 0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.92 1rxc s MET 215 Cb 0.03 0.13 -0.02 0.00 2.84 0.00 0.00 34.83 37.81 1rxc s MET 215 CO 0.03 -0.04 -0.05 0.54 -0.65 0.00 0.00 175.02 174.85 1rxc s VAL 216 N 0.01 0.28 -0.01 10.11 0.11 -0.64 -2.31 120.40 127.95 1rxc s VAL 216 Ca -0.01 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 57.94 1rxc s VAL 216 Cb -0.02 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1rxc s VAL 216 CO 0.00 -0.45 0.27 0.00 -3.33 0.00 0.00 175.10 171.59 1rxc s ALA 217 N -1.41 -0.67 -0.12 1.54 0.00 -0.36 -1.55 121.76 119.19 1rxc s ALA 217 Ca -0.13 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 1rxc s ALA 217 Cb -0.10 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1rxc s ALA 217 CO -0.00 -0.24 0.22 0.20 0.00 0.00 0.00 175.76 175.93 1rxc s GLY 218 N -1.28 2.21 -0.35 0.00 0.00 -0.87 -0.41 107.32 106.62 1rxc s GLY 218 Ca -0.13 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 43.77 1rxc s GLY 218 CO 0.03 -0.05 1.04 0.14 0.00 0.00 0.00 173.10 174.27 1rxc s VAL 219 N -0.53 4.49 -0.04 1.40 1.01 -0.45 -1.38 120.40 124.90 1rxc s VAL 219 Ca 0.16 1.53 0.20 0.00 0.00 0.00 0.00 61.98 63.86 1rxc s VAL 219 Cb -0.13 -4.41 -0.30 0.00 0.00 0.00 0.00 36.38 31.54 1rxc s VAL 219 CO 0.05 -0.56 0.41 2.30 0.00 0.00 0.00 175.10 177.30 1rxc n ILE 220 N 6.02 0.08 -3.73 2.22 -5.35 -0.55 -1.18 119.36 116.88 1rxc n ILE 220 Ca 0.11 -0.47 -0.10 0.00 -0.27 0.00 0.00 62.75 62.02 1rxc n ILE 220 Cb 0.48 0.01 -0.05 0.00 -1.74 0.00 0.00 39.64 38.33 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 -3.31 0.09 -0.22 7.28 0.11 -1.25 -4.92 120.40 118.18 1rxc s VAL 221 Ca -0.07 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.12 1rxc s VAL 221 Cb 0.12 -1.27 0.10 0.00 -1.53 0.00 0.00 36.38 33.80 1rxc s VAL 221 CO 0.82 -0.42 0.22 0.21 -3.33 0.00 0.00 175.10 172.59 1rxc s ASN 222 N -2.83 1.72 0.45 3.54 3.84 -1.26 -2.23 114.94 118.16 1rxc s ASN 222 Ca 0.04 -0.46 0.31 0.00 0.21 0.00 0.00 52.86 52.97 1rxc s ASN 222 Cb 0.03 0.28 1.37 0.00 -0.55 0.00 0.00 41.25 42.39 1rxc s ASN 222 CO -0.11 -0.35 1.92 0.08 -2.79 0.00 0.00 177.10 175.85 1rxc h ARG 223 N 8.32 0.00 0.00 0.43 0.11 -1.96 -1.70 114.38 119.58 1rxc h ARG 223 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1rxc h ARG 223 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1rxc h ARG 223 CO 0.31 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.63 1rxc n THR 224 N -2.74 0.58 0.00 0.08 -2.24 -1.26 -5.13 114.28 103.57 1rxc n THR 224 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1rxc n THR 224 Cb 0.22 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.18 0.00 0.11 -0.78 6.02 -0.64 -4.93 117.38 114.97 1rxc n GLN 225 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1rxc n GLN 225 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 1rxc n GLN 225 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rxc n ALA 231 N -3.00 3.00 0.85 -1.58 0.00 -1.26 -5.08 120.51 113.44 1rxc n ALA 231 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1rxc n ALA 231 Cb 0.00 0.07 0.41 0.00 0.00 0.00 0.00 19.45 19.93 1rxc n ALA 231 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rxc n GLU 232 N -3.43 0.10 0.00 0.00 1.02 -1.26 -3.49 120.64 113.59 1rxc n GLU 232 Ca 0.00 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.30 1rxc n GLU 232 Cb 0.00 -1.60 0.50 0.00 -0.02 0.00 0.00 31.44 30.32 1rxc n GLU 232 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1rxc n THR 233 N -1.76 0.38 -0.06 2.62 -1.04 -1.26 -2.93 114.28 110.23 1rxc n THR 233 Ca 0.06 0.09 -0.11 0.00 -2.04 0.00 0.00 64.05 62.05 1rxc n THR 233 Cb 0.37 -0.77 -0.05 0.00 -1.82 0.00 0.00 70.33 68.06 1rxc n THR 233 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1rxc h MET 234 N 0.00 0.31 -0.16 -2.82 1.85 -1.91 -2.48 114.93 109.71 1rxc h MET 234 Ca 0.00 -0.09 -0.15 0.00 -0.61 0.00 0.00 59.70 58.85 1rxc h MET 234 Cb 0.17 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1rxc h MET 234 CO 0.00 0.49 -0.53 0.87 -0.40 0.00 0.00 176.91 177.34 1rxc h LYS 235 N 0.08 0.45 -0.46 0.39 1.57 -1.81 -2.64 116.57 114.16 1rxc h LYS 235 Ca 0.05 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1rxc h LYS 235 Cb 0.34 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1rxc h LYS 235 CO 0.01 0.87 -0.13 1.96 -0.57 0.00 0.00 179.45 181.58 1rxc h GLN 236 N 0.35 0.85 -0.10 3.15 4.20 -1.60 -2.42 115.11 119.54 1rxc h GLN 236 Ca 0.01 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.23 1rxc h GLN 236 Cb 1.04 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 1rxc h GLN 236 CO 0.09 0.93 -0.72 1.15 -0.67 0.00 0.00 178.83 179.62 1rxc h THR 237 N 0.76 1.35 -0.35 -0.54 2.02 -1.43 -2.47 112.91 112.25 1rxc h THR 237 Ca 0.12 -2.07 -0.08 0.00 0.77 0.00 0.00 66.41 65.15 1rxc h THR 237 Cb 0.65 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1rxc h THR 237 CO 0.05 0.63 -0.11 -0.08 0.37 0.00 0.00 175.52 176.37 1rxc h GLU 238 N 0.35 0.61 -0.28 6.66 4.81 -1.40 -2.13 114.58 123.20 1rxc h GLU 238 Ca -0.03 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 1rxc h GLU 238 Cb 1.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1rxc h GLU 238 CO 0.13 0.71 -0.26 0.77 -0.73 0.00 0.00 179.01 179.63 1rxc h SER 239 N 0.56 0.55 -0.16 1.04 0.02 -1.37 -2.41 113.55 111.78 1rxc h SER 239 Ca 0.10 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1rxc h SER 239 Cb 0.53 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1rxc h SER 239 CO 0.03 0.80 0.01 0.45 -1.14 0.00 0.00 176.83 176.98 1rxc h HIS 240 N 0.48 0.31 -0.36 3.45 3.86 -1.02 -1.35 115.15 120.52 1rxc h HIS 240 Ca 0.07 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1rxc h HIS 240 Cb 0.70 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1rxc h HIS 240 CO 0.03 0.48 -0.16 0.00 0.86 0.00 0.00 177.93 179.14 1rxc h ALA 241 N 0.78 1.05 -0.30 2.45 0.00 -1.41 -2.34 119.26 119.49 1rxc h ALA 241 Ca 0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1rxc h ALA 241 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rxc h ALA 241 CO 0.01 0.58 -0.42 0.28 0.00 0.00 0.00 179.25 179.70 1rxc h VAL 242 N 0.59 1.29 -0.97 0.00 2.07 -1.35 -1.88 116.25 116.00 1rxc h VAL 242 Ca 0.10 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1rxc h VAL 242 Cb 0.61 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 1rxc h VAL 242 CO 0.04 0.52 0.64 0.50 0.02 0.00 0.00 177.57 179.29 1rxc h LYS 243 N 0.61 1.29 -0.14 1.57 3.64 -1.06 -2.65 116.57 119.82 1rxc h LYS 243 Ca 0.05 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1rxc h LYS 243 Cb 0.97 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1rxc h LYS 243 CO 0.09 0.86 -0.42 0.82 -2.27 0.00 0.00 179.45 178.53 1rxc h ILE 244 N 1.32 1.35 -0.11 2.00 2.04 -1.10 -2.31 117.51 120.71 1rxc h ILE 244 Ca 0.36 -1.70 -0.10 0.00 1.00 0.00 0.00 64.86 64.42 1rxc h ILE 244 Cb -0.14 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1rxc h ILE 244 CO -0.08 0.51 -0.40 1.62 0.00 0.00 0.00 178.15 179.81 1rxc h VAL 245 N 0.17 1.31 -0.20 1.67 3.04 -1.32 -0.30 116.25 120.62 1rxc h VAL 245 Ca -0.01 -1.49 -0.12 0.00 -1.01 0.00 0.00 66.70 64.07 1rxc h VAL 245 Cb 1.03 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1rxc h VAL 245 CO 0.09 0.45 -0.34 0.58 -1.01 0.00 0.00 177.57 177.34 1rxc h VAL 246 N 0.20 1.33 -0.29 1.51 2.07 -1.49 -1.57 116.25 118.01 1rxc h VAL 246 Ca 0.02 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 1rxc h VAL 246 Cb 0.80 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1rxc h VAL 246 CO 0.06 0.48 -0.01 -0.08 0.02 0.00 0.00 177.57 178.04 1rxc h GLU 247 N 0.25 0.44 -0.27 1.57 4.57 -1.28 -2.55 114.58 117.30 1rxc h GLU 247 Ca 0.01 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 57.95 1rxc h GLU 247 Cb 0.93 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1rxc h GLU 247 CO 0.08 0.48 -0.43 0.00 -1.18 0.00 0.00 179.01 177.96 1rxc h ALA 248 N 1.57 0.42 -0.84 2.92 0.00 -0.93 -2.70 119.26 119.69 1rxc h ALA 248 Ca 0.09 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.63 1rxc h ALA 248 Cb 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1rxc h ALA 248 CO 0.01 0.54 0.55 0.00 0.00 0.00 0.00 179.25 180.35 1rxc h ALA 249 N 0.67 1.68 -0.76 0.00 0.00 -1.10 -2.37 119.26 117.38 1rxc h ALA 249 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rxc h ALA 249 Cb 1.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1rxc h ALA 249 CO 0.10 0.16 0.48 0.00 0.00 0.00 0.00 179.25 179.98 1rxc h ARG 250 N 0.83 1.02 0.00 0.00 3.08 -1.12 -2.27 114.38 115.92 1rxc h ARG 250 Ca 0.39 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1rxc h ARG 250 Cb 0.39 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1rxc h ARG 250 CO -0.15 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 1rxc h ARG 251 N 1.04 0.00 -0.41 0.04 3.08 -1.37 -3.24 114.38 113.52 1rxc h ARG 251 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1rxc h ARG 251 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1rxc h ARG 251 CO -0.06 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.12 1rxc n LEU 252 N -3.00 3.41 0.00 3.04 4.77 -0.87 -5.10 117.00 119.26 1rxc n LEU 252 Ca 0.03 -1.58 0.14 0.00 -0.03 0.00 0.00 56.01 54.57 1rxc n LEU 252 Cb 0.41 -0.26 0.81 0.00 -2.33 0.00 0.00 43.42 42.04 1rxc n LEU 252 CO 0.30 0.76 0.98 0.18 -1.33 0.00 0.00 177.39 178.28