#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 0.38 -4.15 -3.46 8.00 -0.33 -4.89 116.55 112.10 1rxc n ASP 5 Ca 0.00 -0.09 -0.17 0.00 0.71 0.00 0.00 54.79 55.23 1rxc n ASP 5 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.93 1.00 0.13 2.53 -7.23 -1.23 -5.07 120.40 107.60 1rxc s VAL 6 Ca 0.14 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 1rxc s VAL 6 Cb 0.18 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 36.02 1rxc s VAL 6 CO 0.62 -0.27 1.40 0.15 -0.31 0.00 0.00 175.10 176.69 1rxc h PHE 7 N 4.27 1.10 0.00 2.82 3.04 -1.94 -3.35 116.94 122.89 1rxc h PHE 7 Ca -0.40 -0.40 -0.40 0.00 3.98 0.00 0.00 57.97 60.75 1rxc h PHE 7 Cb 1.19 -0.20 -0.07 0.00 2.56 0.00 0.00 35.95 39.43 1rxc h PHE 7 CO 0.64 1.23 -2.48 0.72 -2.02 0.00 0.00 178.31 176.40 1rxc n HIS 8 N -4.00 0.02 0.31 0.41 8.25 -1.26 -4.64 115.22 114.32 1rxc n HIS 8 Ca -0.05 0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 1rxc n HIS 8 Cb 0.64 -1.00 0.20 0.00 1.12 0.00 0.00 29.99 30.94 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 -0.14 0.00 -0.97 2.41 3.38 -1.92 -3.44 115.31 114.62 1rxc h LEU 9 Ca -0.60 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.10 1rxc h LEU 9 Cb 1.86 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.71 1rxc h LEU 9 CO -0.14 0.01 -0.46 0.61 0.09 0.00 0.00 178.44 178.55 1rxc n GLY 10 N 1.17 -0.05 3.29 0.83 0.00 -1.26 -4.70 105.19 104.48 1rxc n GLY 10 Ca 0.04 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1rxc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 11 N -5.19 2.37 0.31 0.99 1.43 -1.26 -4.85 118.68 112.47 1rxc s LEU 11 Ca 0.36 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1rxc s LEU 11 Cb -0.16 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1rxc s LEU 11 CO 0.49 -0.01 0.17 0.42 0.23 0.00 0.00 176.35 177.65 1rxc s THR 12 N -1.64 3.53 0.32 5.49 -4.23 -1.26 -1.19 115.64 116.67 1rxc s THR 12 Ca 0.10 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1rxc s THR 12 Cb -0.08 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.94 1rxc s THR 12 CO 0.05 -0.25 1.94 0.11 -0.54 0.00 0.00 174.62 175.93 1rxc h LYS 13 N 1.50 0.91 0.00 3.99 1.57 -1.98 -2.69 116.57 119.88 1rxc h LYS 13 Ca -0.45 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1rxc h LYS 13 Cb 1.25 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1rxc h LYS 13 CO 0.61 0.60 -0.28 -0.91 -0.57 0.00 0.00 179.45 178.90 1rxc h ASN 14 N 0.94 0.00 -0.62 0.86 2.35 -1.96 -2.25 115.58 114.91 1rxc h ASN 14 Ca 0.34 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.12 1rxc h ASN 14 Cb 0.16 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1rxc h ASN 14 CO -0.12 0.28 0.41 0.44 -1.65 0.00 0.00 177.43 176.79 1rxc h ASP 15 N 0.00 0.65 1.08 5.81 3.32 -1.89 -2.77 116.42 122.62 1rxc h ASP 15 Ca -0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1rxc h ASP 15 Cb 0.72 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1rxc h ASP 15 CO 0.04 0.46 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.53 1rxc h LEU 16 N 0.76 0.00 -1.05 1.55 4.07 -1.49 -3.48 115.31 115.66 1rxc h LEU 16 Ca 0.24 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.75 1rxc h LEU 16 Cb 0.03 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.77 1rxc h LEU 16 CO -0.06 0.42 -0.75 0.00 -1.08 0.00 0.00 178.44 176.96 1rxc n GLN 17 N -3.40 -5.92 -0.54 1.13 6.02 -1.05 -2.07 117.38 111.55 1rxc n GLN 17 Ca 0.01 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1rxc n GLN 17 Cb 0.59 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.31 1rxc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 18 N -1.73 0.76 3.74 1.08 0.00 -1.26 -4.78 105.19 103.00 1rxc n GLY 18 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.92 3.68 -0.21 4.61 0.00 -0.88 -4.91 121.76 121.13 1rxc s ALA 19 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1rxc s ALA 19 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1rxc s ALA 19 CO 0.00 -0.82 0.63 0.25 0.00 0.00 0.00 175.76 175.83 1rxc n THR 20 N 2.53 0.16 -4.82 0.00 -2.24 -1.26 -4.26 114.28 104.38 1rxc n THR 20 Ca 0.08 -0.58 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 1rxc n THR 20 Cb 0.39 0.95 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.28 1.95 -0.04 3.22 0.20 -1.26 -0.65 118.68 121.81 1rxc s LEU 21 Ca 0.02 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1rxc s LEU 21 Cb 0.02 -0.93 0.00 0.00 -0.43 0.00 0.00 46.19 44.85 1rxc s LEU 21 CO 0.02 0.17 -0.14 0.00 -0.29 0.00 0.00 176.35 176.12 1rxc s ALA 22 N -0.11 1.27 -0.13 5.97 0.00 0.12 -1.80 121.76 127.09 1rxc s ALA 22 Ca -0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1rxc s ALA 22 Cb -0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1rxc s ALA 22 CO 0.01 0.21 0.36 0.42 0.00 0.00 0.00 175.76 176.77 1rxc s ILE 23 N 0.18 5.24 -0.56 0.00 1.01 0.11 -1.36 121.20 125.82 1rxc s ILE 23 Ca -0.05 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1rxc s ILE 23 Cb -0.11 -3.70 0.15 0.00 0.01 0.00 0.00 42.46 38.81 1rxc s ILE 23 CO 0.02 0.39 0.37 0.68 0.00 0.00 0.00 174.94 176.39 1rxc s VAL 24 N 0.36 2.07 0.75 2.92 -7.23 0.54 -1.50 120.40 118.32 1rxc s VAL 24 Ca 0.20 -3.44 -0.11 0.00 -1.81 0.00 0.00 61.98 56.83 1rxc s VAL 24 Cb -0.14 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1rxc s VAL 24 CO 0.07 -0.98 1.08 -2.16 -0.31 0.00 0.00 175.10 172.80 1rxc s PRO 25 N -0.57 2.43 0.09 4.82 0.04 -1.24 -3.42 135.00 137.14 1rxc s PRO 25 Ca 0.23 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 1rxc s PRO 25 Cb -0.12 -1.93 -0.24 0.00 0.04 0.00 0.00 34.50 32.25 1rxc s PRO 25 CO -0.10 -1.46 1.20 0.78 0.04 0.00 0.00 177.00 177.45 1rxc h GLY 26 N -0.99 0.24 -7.38 0.56 0.00 -1.82 -1.21 103.07 92.47 1rxc h GLY 26 Ca -0.45 -0.58 -0.63 0.00 0.00 0.00 0.00 47.33 45.67 1rxc h GLY 26 CO 0.55 0.51 -0.28 -0.35 0.00 0.00 0.00 176.54 176.97 1rxc s ASP 27 N -7.03 6.22 0.32 0.19 3.68 -1.26 -1.80 116.67 116.98 1rxc s ASP 27 Ca -0.03 0.22 0.05 0.00 2.13 0.00 0.00 52.55 54.92 1rxc s ASP 27 Cb 0.08 -2.20 0.68 0.00 -1.45 0.00 0.00 42.92 40.03 1rxc s ASP 27 CO 0.86 -0.17 1.85 1.55 0.13 0.00 0.00 175.17 179.39 1rxc h PRO 28 N 8.21 0.83 0.00 4.34 0.13 -1.89 -1.14 132.00 142.49 1rxc h PRO 28 Ca -0.32 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1rxc h PRO 28 Cb 1.16 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1rxc h PRO 28 CO 0.63 0.55 0.00 -0.44 -0.23 0.00 0.00 178.00 178.51 1rxc h ASP 29 N 0.86 0.00 0.93 1.44 3.32 -1.96 -2.42 116.42 118.59 1rxc h ASP 29 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1rxc h ASP 29 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1rxc h ASP 29 CO -0.24 0.00 -0.23 -1.14 -1.72 0.00 0.00 179.24 175.91 1rxc n ARG 30 N -3.05 0.09 -0.18 3.56 0.63 -0.43 -4.26 116.66 113.00 1rxc n ARG 30 Ca -0.01 0.05 -0.10 0.00 -0.92 0.00 0.00 57.85 56.87 1rxc n ARG 30 Cb 0.19 -1.58 0.01 0.00 0.45 0.00 0.00 32.46 31.53 1rxc n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxc h VAL 31 N 0.00 1.26 -0.37 5.15 2.07 -1.47 -2.49 116.25 120.40 1rxc h VAL 31 Ca 0.00 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 1rxc h VAL 31 Cb 0.58 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1rxc h VAL 31 CO 0.00 0.39 -0.17 -0.08 0.02 0.00 0.00 177.57 177.73 1rxc h GLU 32 N 0.81 0.78 -0.59 1.57 4.81 -1.77 -1.69 114.58 118.50 1rxc h GLU 32 Ca 0.15 -0.33 0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1rxc h GLU 32 Cb 0.54 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.78 1rxc h GLU 32 CO 0.03 0.95 -0.19 0.87 -0.73 0.00 0.00 179.01 179.94 1rxc h LYS 33 N 0.57 -0.04 -0.14 1.92 6.56 -1.73 -1.41 116.57 122.29 1rxc h LYS 33 Ca 0.08 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.51 1rxc h LYS 33 Cb 0.71 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.39 1rxc h LYS 33 CO 0.05 -0.03 -0.56 0.82 -2.06 0.00 0.00 179.45 177.68 1rxc h ILE 34 N -0.04 1.33 -0.26 1.86 2.04 -1.22 -3.06 117.51 118.15 1rxc h ILE 34 Ca 0.28 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 1rxc h ILE 34 Cb 0.47 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1rxc h ILE 34 CO -0.63 0.56 0.09 0.00 0.00 0.00 0.00 178.15 178.17 1rxc h ALA 35 N 0.53 1.67 0.00 1.87 0.00 -1.14 -2.80 119.26 119.38 1rxc h ALA 35 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rxc h ALA 35 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rxc h ALA 35 CO 0.12 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1rxc h ALA 36 N 1.73 1.00 0.00 0.00 0.00 -1.15 -1.00 119.26 119.84 1rxc h ALA 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rxc h ALA 36 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rxc h ALA 36 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1rxc n LEU 37 N -2.95 0.34 0.00 0.00 4.77 -1.06 -4.84 117.00 113.26 1rxc n LEU 37 Ca 0.01 0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 56.30 1rxc n LEU 37 Cb 0.28 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1rxc n LEU 37 CO 0.25 -0.30 0.03 0.23 -1.33 0.00 0.00 177.39 176.27 1rxc n MET 38 N -1.86 0.73 -3.51 3.23 2.81 -0.38 -5.13 117.12 113.02 1rxc n MET 38 Ca 0.04 -3.29 -0.35 0.00 -1.81 0.00 0.00 57.70 52.29 1rxc n MET 38 Cb 0.25 0.41 -0.06 0.00 -0.71 0.00 0.00 33.22 33.12 1rxc n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxc s ASP 39 N -4.02 6.70 -1.34 7.83 -0.00 -0.45 -4.53 116.67 120.86 1rxc s ASP 39 Ca 0.26 0.88 -0.06 0.00 -0.00 0.00 0.00 52.55 53.64 1rxc s ASP 39 Cb -0.02 -2.21 0.02 0.00 -0.00 0.00 0.00 42.92 40.71 1rxc s ASP 39 CO 0.17 0.16 0.98 0.29 -0.00 0.00 0.00 175.17 176.76 1rxc n LYS 40 N 0.91 -6.35 -1.99 8.23 5.02 -1.26 0.22 118.16 122.94 1rxc n LYS 40 Ca -0.07 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 1rxc n LYS 40 Cb 0.52 -5.62 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 1rxc n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxc s PRO 41 N -6.05 4.25 -0.05 1.97 0.04 -1.26 -4.43 135.00 129.46 1rxc s PRO 41 Ca 0.31 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 63.64 1rxc s PRO 41 Cb -0.15 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1rxc s PRO 41 CO 0.77 -0.50 0.11 0.14 0.04 0.00 0.00 177.00 177.57 1rxc s VAL 42 N 0.50 -0.04 0.29 -0.36 -7.23 -0.00 -4.99 120.40 108.56 1rxc s VAL 42 Ca 0.64 0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 60.65 1rxc s VAL 42 Cb -0.42 -0.19 -0.11 0.00 0.56 0.00 0.00 36.38 36.21 1rxc s VAL 42 CO 0.38 0.06 1.59 -0.75 -0.31 0.00 0.00 175.10 176.07 1rxc s LYS 43 N 0.86 4.13 -0.23 4.82 2.20 -1.26 -1.01 119.74 129.25 1rxc s LYS 43 Ca -0.07 2.57 -0.08 0.00 -0.36 0.00 0.00 55.97 58.04 1rxc s LYS 43 Cb -0.09 -3.03 -0.11 0.00 -1.51 0.00 0.00 37.83 33.09 1rxc s LYS 43 CO -0.04 -0.63 -0.27 1.28 -0.36 0.00 0.00 175.35 175.34 1rxc n LEU 44 N 2.27 2.05 -3.65 5.43 4.77 0.10 -4.88 117.00 123.10 1rxc n LEU 44 Ca 0.08 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1rxc n LEU 44 Cb 0.37 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1rxc n LEU 44 CO 0.64 0.60 0.61 0.00 -1.33 0.00 0.00 177.39 177.91 1rxc s ALA 45 N -2.43 -1.62 -0.25 -1.18 0.00 -1.04 -5.01 121.76 110.23 1rxc s ALA 45 Ca -0.31 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 1rxc s ALA 45 Cb 0.11 0.66 0.14 0.00 0.00 0.00 0.00 23.12 24.03 1rxc s ALA 45 CO 0.43 -0.90 0.41 0.45 0.00 0.00 0.00 175.76 176.16 1rxc s SER 46 N -2.78 -0.02 -0.02 0.00 0.15 -1.26 -0.88 113.70 108.90 1rxc s SER 46 Ca 0.08 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1rxc s SER 46 Cb -0.02 1.29 0.03 0.00 -1.71 0.00 0.00 66.02 65.60 1rxc s SER 46 CO -0.03 -0.29 0.02 -1.00 1.20 0.00 0.00 173.24 173.14 1rxc s HIS 47 N 2.60 0.12 0.00 3.44 3.76 -0.82 -5.01 115.29 119.37 1rxc s HIS 47 Ca 0.14 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1rxc s HIS 47 Cb -0.15 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.26 1rxc s HIS 47 CO -0.17 -0.09 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1rxc n ARG 48 N 4.07 0.00 -0.17 1.40 1.74 -1.26 -0.59 116.66 121.86 1rxc n ARG 48 Ca -0.26 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.88 1rxc n ARG 48 Cb 0.51 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.15 1rxc n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxc n GLU 49 N 14.00 1.83 -3.45 5.56 0.00 -1.26 -4.76 120.64 132.56 1rxc n GLU 49 Ca 0.00 -1.28 -0.43 0.00 0.00 0.00 0.00 57.16 55.44 1rxc n GLU 49 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 31.44 30.07 1rxc n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxc s PHE 50 N -1.56 3.46 -0.20 -1.84 0.08 0.24 -3.84 117.98 114.32 1rxc s PHE 50 Ca 0.26 -1.84 -0.06 0.00 0.12 0.00 0.00 56.93 55.40 1rxc s PHE 50 Cb 0.14 -3.62 -0.03 0.00 -0.57 0.00 0.00 43.02 38.93 1rxc s PHE 50 CO 0.19 -0.98 0.04 0.99 -0.10 0.00 0.00 175.22 175.35 1rxc s THR 51 N 0.98 4.35 -0.13 0.64 2.01 -1.26 -1.95 115.64 120.27 1rxc s THR 51 Ca 0.09 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1rxc s THR 51 Cb -0.23 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1rxc s THR 51 CO -0.02 0.42 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.23 1rxc s THR 52 N 0.85 2.17 0.22 -0.82 2.01 -0.05 -1.94 115.64 118.06 1rxc s THR 52 Ca 0.02 -0.96 0.11 0.00 0.31 0.00 0.00 61.69 61.18 1rxc s THR 52 Cb -0.14 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1rxc s THR 52 CO 0.02 0.55 -0.20 0.26 -0.69 0.00 0.00 174.62 174.56 1rxc s TRP 53 N 0.63 2.35 -0.01 4.92 0.52 0.15 -0.72 118.94 126.79 1rxc s TRP 53 Ca -0.11 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.76 1rxc s TRP 53 Cb -0.16 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 1rxc s TRP 53 CO 0.02 0.56 -0.24 0.50 0.02 0.00 0.00 176.95 177.81 1rxc s ARG 54 N -2.94 1.92 0.00 4.98 3.52 -0.18 -1.06 118.95 125.19 1rxc s ARG 54 Ca 0.24 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1rxc s ARG 54 Cb -0.07 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.42 1rxc s ARG 54 CO 0.12 0.51 0.00 0.00 -0.81 0.00 0.00 175.30 175.13 1rxc n ALA 55 N 2.36 0.00 -3.04 6.12 0.00 -0.28 -0.82 120.51 124.84 1rxc n ALA 55 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 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 -1.87 0.61 -0.14 0.00 2.12 0.13 -0.63 118.70 118.92 1rxc s GLU 56 Ca 0.00 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 1rxc s GLU 56 Cb 0.00 -0.61 0.04 0.00 0.26 0.00 0.00 34.13 33.83 1rxc s GLU 56 CO 0.00 0.07 0.00 -1.17 -0.54 0.00 0.00 175.26 173.62 1rxc s LEU 57 N 0.21 1.06 -1.40 2.70 2.96 -0.12 -1.35 118.68 122.75 1rxc s LEU 57 Ca -0.02 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 1rxc s LEU 57 Cb -0.07 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 46.02 1rxc s LEU 57 CO -0.00 -0.24 0.35 0.47 -1.32 0.00 0.00 176.35 175.61 1rxc n ASP 58 N 5.05 -1.01 0.00 3.68 8.00 -1.26 -1.90 116.55 129.11 1rxc n ASP 58 Ca -0.09 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1rxc n ASP 58 Cb 0.48 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.24 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 -2.19 2.34 3.68 0.44 0.00 -1.26 -5.02 105.19 103.18 1rxc n GLY 59 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.01 2.90 0.35 1.61 -0.14 -0.80 -5.08 119.74 118.58 1rxc s LYS 60 Ca 0.00 -0.49 -0.27 0.00 -1.36 0.00 0.00 55.97 53.85 1rxc s LYS 60 Cb 0.00 -2.74 -0.09 0.00 -1.68 0.00 0.00 37.83 33.32 1rxc s LYS 60 CO 0.00 0.67 1.15 -1.25 -0.76 0.00 0.00 175.35 175.17 1rxc s PRO 61 N -1.13 4.28 0.02 -1.68 0.04 -1.26 -0.94 135.00 134.33 1rxc s PRO 61 Ca 0.16 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1rxc s PRO 61 Cb -0.11 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1rxc s PRO 61 CO 0.05 -0.12 -0.04 0.08 0.04 0.00 0.00 177.00 177.01 1rxc s VAL 62 N -1.33 0.26 -0.07 -0.36 1.01 0.20 -4.50 120.40 115.62 1rxc s VAL 62 Ca 0.52 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1rxc s VAL 62 Cb -0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1rxc s VAL 62 CO 0.40 -0.34 0.02 -0.63 0.00 0.00 0.00 175.10 174.56 1rxc s ILE 63 N -1.11 4.42 -0.15 2.22 -1.09 -0.74 -1.13 121.20 123.62 1rxc s ILE 63 Ca -0.10 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1rxc s ILE 63 Cb -0.08 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 1rxc s ILE 63 CO -0.00 0.54 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.38 1rxc s VAL 64 N -0.96 1.82 -0.11 2.92 1.01 -0.23 -0.71 120.40 124.14 1rxc s VAL 64 Ca 0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1rxc s VAL 64 Cb -0.11 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.67 1rxc s VAL 64 CO 0.05 0.50 0.23 0.00 0.00 0.00 0.00 175.10 175.88 1rxc s SER 66 N 1.95 6.87 0.01 0.00 1.04 -0.82 -3.71 113.70 119.04 1rxc s SER 66 Ca -0.03 2.01 0.22 0.00 0.48 0.00 0.00 55.95 58.63 1rxc s SER 66 Cb -0.11 -2.58 -0.19 0.00 0.10 0.00 0.00 66.02 63.23 1rxc s SER 66 CO -0.08 -0.41 0.76 0.35 0.98 0.00 0.00 173.24 174.84 1rxc n THR 67 N 0.05 0.09 -1.73 2.02 -2.24 -0.46 -4.32 114.28 107.70 1rxc n THR 67 Ca 0.04 -0.32 0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1rxc n THR 67 Cb 0.50 0.27 -0.01 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 1.34 -1.97 3.64 3.38 0.00 -0.75 -3.21 105.19 107.62 1rxc n GLY 68 Ca -0.00 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 1rxc n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 69 N -1.07 4.89 0.00 -0.61 1.01 -1.26 -4.61 121.20 119.56 1rxc s ILE 69 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1rxc s ILE 69 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1rxc s ILE 69 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1rxc n GLY 70 N 3.90 3.20 0.22 6.18 0.00 -1.26 -4.70 105.19 112.73 1rxc n GLY 70 Ca 0.03 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 0.63 0.56 -0.02 0.00 -1.86 -2.07 103.07 100.32 1rxc h GLY 71 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1rxc h GLY 71 CO 0.00 -0.17 -0.21 -2.55 0.00 0.00 0.00 176.54 173.61 1rxc h PRO 72 N 0.14 -0.35 -0.27 4.80 0.11 -1.94 0.49 132.00 134.98 1rxc h PRO 72 Ca 0.30 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1rxc h PRO 72 Cb 0.47 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1rxc h PRO 72 CO -0.47 -0.24 -0.37 0.66 -0.21 0.00 0.00 178.00 177.37 1rxc h SER 73 N -0.37 0.65 -0.75 -2.05 4.64 -1.79 -2.46 113.55 111.43 1rxc h SER 73 Ca 0.04 -0.28 0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1rxc h SER 73 Cb 0.42 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 1rxc h SER 73 CO -0.16 0.95 0.36 0.74 -0.87 0.00 0.00 176.83 177.86 1rxc h THR 74 N 0.51 0.80 -0.14 2.95 2.02 -0.94 -1.51 112.91 116.60 1rxc h THR 74 Ca 0.05 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1rxc h THR 74 Cb 0.88 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1rxc h THR 74 CO 0.08 0.11 -0.19 0.77 0.37 0.00 0.00 175.52 176.65 1rxc h SER 75 N 0.59 0.22 0.05 4.18 4.64 0.43 -1.80 113.55 121.86 1rxc h SER 75 Ca 0.38 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1rxc h SER 75 Cb 0.45 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1rxc h SER 75 CO -0.30 0.43 -0.02 0.40 -0.87 0.00 0.00 176.83 176.47 1rxc h ILE 76 N 0.22 1.30 -0.99 0.95 2.04 -1.01 -2.24 117.51 117.79 1rxc h ILE 76 Ca 0.04 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.67 1rxc h ILE 76 Cb 0.47 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1rxc h ILE 76 CO 0.03 0.31 0.65 0.00 0.00 0.00 0.00 178.15 179.14 1rxc h ALA 77 N 0.27 1.33 -0.19 1.87 0.00 -1.13 -1.03 119.26 120.38 1rxc h ALA 77 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1rxc h ALA 77 Cb 0.55 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rxc h ALA 77 CO 0.01 0.59 -0.39 0.28 0.00 0.00 0.00 179.25 179.74 1rxc h VAL 78 N 1.28 1.33 0.06 0.00 2.07 -1.40 -1.63 116.25 117.96 1rxc h VAL 78 Ca 0.38 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1rxc h VAL 78 Cb -0.07 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1rxc h VAL 78 CO -0.10 0.50 -0.04 -0.08 0.02 0.00 0.00 177.57 177.87 1rxc h GLU 79 N 0.27 -0.09 -0.00 1.57 4.57 -1.10 -0.07 114.58 119.73 1rxc h GLU 79 Ca 0.00 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1rxc h GLU 79 Cb 0.99 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1rxc h GLU 79 CO 0.09 -0.06 -0.66 0.93 -1.18 0.00 0.00 179.01 178.12 1rxc h GLU 80 N -0.09 0.01 -0.26 1.92 5.08 -1.25 -1.07 114.58 118.91 1rxc h GLU 80 Ca -0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1rxc h GLU 80 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1rxc h GLU 80 CO 0.00 0.67 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.29 1rxc h LEU 81 N 0.01 0.74 -1.16 1.33 3.38 -1.23 -2.66 115.31 115.72 1rxc h LEU 81 Ca -0.01 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1rxc h LEU 81 Cb 1.17 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1rxc h LEU 81 CO 0.09 1.08 0.58 0.00 0.09 0.00 0.00 178.44 180.28 1rxc h ALA 82 N 0.68 1.50 -0.76 1.53 0.00 -0.68 -0.62 119.26 120.91 1rxc h ALA 82 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rxc h ALA 82 Cb 0.90 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1rxc h ALA 82 CO 0.08 0.38 0.44 1.96 0.00 0.00 0.00 179.25 182.11 1rxc h GLN 83 N 1.03 1.03 0.00 0.00 4.20 -1.08 -2.42 115.11 117.87 1rxc h GLN 83 Ca 0.37 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1rxc h GLN 83 Cb 0.14 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1rxc h GLN 83 CO -0.13 0.73 0.00 1.28 -0.67 0.00 0.00 178.83 180.04 1rxc n LEU 84 N -4.38 0.00 0.00 1.46 4.32 -0.32 -4.89 117.00 113.19 1rxc n LEU 84 Ca 0.08 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 1rxc n LEU 84 Cb 0.08 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1rxc n LEU 84 CO 0.37 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 1rxc n GLY 85 N 1.13 1.04 3.71 -0.72 0.00 -0.72 -4.85 105.19 104.77 1rxc n GLY 85 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.12 -0.05 -0.61 -1.09 -0.86 -4.41 121.20 116.29 1rxc s ILE 86 Ca 0.00 1.51 0.02 0.00 -2.23 0.00 0.00 60.65 59.95 1rxc s ILE 86 Cb 0.00 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1rxc s ILE 86 CO 0.00 0.09 0.08 0.54 -1.23 0.00 0.00 174.94 174.41 1rxc n ARG 87 N 4.23 3.00 -4.52 2.79 5.12 0.18 -4.21 116.66 123.25 1rxc n ARG 87 Ca 0.09 -0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.74 1rxc n ARG 87 Cb 0.46 -0.84 -0.17 0.00 -1.16 0.00 0.00 32.46 30.75 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 -1.72 1.23 -0.13 0.55 2.01 -0.64 -1.05 115.64 115.89 1rxc s THR 88 Ca -0.00 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1rxc s THR 88 Cb 0.02 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1rxc s THR 88 CO 0.10 0.38 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.91 1rxc s PHE 89 N 0.81 2.05 -0.29 4.92 0.08 0.39 -0.70 117.98 125.24 1rxc s PHE 89 Ca -0.11 -1.08 -0.01 0.00 0.12 0.00 0.00 56.93 55.84 1rxc s PHE 89 Cb -0.15 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 1rxc s PHE 89 CO 0.02 -0.59 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.01 1rxc s LEU 90 N 1.35 3.76 0.06 -0.37 1.43 -0.47 -0.78 118.68 123.66 1rxc s LEU 90 Ca 0.01 -1.25 -0.27 0.00 -1.03 0.00 0.00 54.13 51.59 1rxc s LEU 90 Cb -0.13 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1rxc s LEU 90 CO -0.08 -0.24 0.84 -0.60 0.23 0.00 0.00 176.35 176.51 1rxc s ARG 91 N 1.24 4.56 -0.13 1.70 3.52 -0.25 -0.34 118.95 129.25 1rxc s ARG 91 Ca -0.05 1.21 0.02 0.00 -0.13 0.00 0.00 55.73 56.77 1rxc s ARG 91 Cb -0.20 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1rxc s ARG 91 CO -0.02 0.23 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.00 1rxc s ILE 92 N 0.08 1.90 0.30 4.11 -1.16 -1.22 -1.45 121.20 123.77 1rxc s ILE 92 Ca 0.42 -0.88 0.06 0.00 -0.51 0.00 0.00 60.65 59.74 1rxc s ILE 92 Cb -0.21 -1.70 -0.02 0.00 0.61 0.00 0.00 42.46 41.14 1rxc s ILE 92 CO 0.25 0.52 0.23 0.61 -2.81 0.00 0.00 174.94 173.75 1rxc n GLY 93 N 4.12 3.08 3.78 1.50 0.00 -0.69 -3.91 105.19 113.07 1rxc n GLY 93 Ca -0.20 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 1rxc n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxc s THR 94 N -3.16 4.11 -0.08 2.61 -4.23 -1.26 -1.72 115.64 111.91 1rxc s THR 94 Ca 0.33 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 1rxc s THR 94 Cb 0.02 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.69 1rxc s THR 94 CO 0.23 -0.35 0.71 0.28 -0.54 0.00 0.00 174.62 174.96 1rxc s THR 95 N -2.20 0.00 -0.26 3.99 -1.32 -0.84 -4.84 115.64 110.17 1rxc s THR 95 Ca 0.33 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.67 1rxc s THR 95 Cb -0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1rxc s THR 95 CO 0.24 0.00 0.32 -0.83 -2.21 0.00 0.00 174.62 172.13 1rxc s GLY 96 N -1.06 1.93 0.20 6.08 0.00 -1.07 -1.79 107.32 111.62 1rxc s GLY 96 Ca -0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 1rxc s GLY 96 CO 0.09 0.83 1.01 0.00 0.00 0.00 0.00 173.10 175.03 1rxc s ALA 97 N 1.80 3.34 -1.40 3.20 0.00 -0.38 -0.77 121.76 127.54 1rxc s ALA 97 Ca 0.13 0.71 0.11 0.00 0.00 0.00 0.00 51.96 52.92 1rxc s ALA 97 Cb -0.15 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.78 1rxc s ALA 97 CO 0.09 -0.01 0.87 0.44 0.00 0.00 0.00 175.76 177.15 1rxc n ILE 98 N 1.93 0.04 -3.90 0.00 -5.35 0.26 -0.19 119.36 112.14 1rxc n ILE 98 Ca 0.00 -0.52 -0.34 0.00 -0.27 0.00 0.00 62.75 61.62 1rxc n ILE 98 Cb 0.47 1.21 -0.05 0.00 -1.74 0.00 0.00 39.64 39.53 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 -0.95 3.43 0.35 6.28 -1.52 -1.23 -4.72 119.66 121.30 1rxc s GLN 99 Ca 0.14 -0.29 0.10 0.00 -1.95 0.00 0.00 55.36 53.36 1rxc s GLN 99 Cb 0.10 -3.11 0.65 0.00 -0.22 0.00 0.00 33.01 30.42 1rxc s GLN 99 CO 0.14 0.70 1.80 -1.00 -0.25 0.00 0.00 175.29 176.68 1rxc h PRO 100 N 4.06 0.12 0.00 2.91 0.13 -1.96 -3.07 132.00 134.19 1rxc h PRO 100 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1rxc h PRO 100 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rxc h PRO 100 CO 0.67 0.45 0.00 -2.39 -0.23 0.00 0.00 178.00 176.50 1rxc n HIS 101 N -4.11 0.13 -3.29 1.56 1.44 -1.26 -4.73 115.22 104.96 1rxc n HIS 101 Ca -0.02 0.04 -0.40 0.00 -2.01 0.00 0.00 57.72 55.33 1rxc n HIS 101 Cb 0.40 -0.56 -0.08 0.00 0.12 0.00 0.00 29.99 29.87 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 -3.02 5.09 0.29 0.61 1.01 -1.16 -5.07 121.20 118.96 1rxc s ILE 102 Ca 0.13 0.69 0.04 0.00 0.00 0.00 0.00 60.65 61.51 1rxc s ILE 102 Cb 0.17 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1rxc s ILE 102 CO 0.51 0.06 0.44 0.20 0.00 0.00 0.00 174.94 176.15 1rxc s ASN 103 N 1.61 6.21 0.22 3.58 0.01 -1.26 -4.87 114.94 120.45 1rxc s ASN 103 Ca 0.19 0.11 -0.32 0.00 -0.71 0.00 0.00 52.86 52.13 1rxc s ASN 103 Cb -0.16 -1.75 -0.12 0.00 0.41 0.00 0.00 41.25 39.63 1rxc s ASN 103 CO 0.10 -0.23 1.67 0.52 -1.51 0.00 0.00 177.10 177.65 1rxc n VAL 104 N -1.58 0.26 0.00 1.60 0.31 -1.26 -1.81 118.33 115.86 1rxc n VAL 104 Ca -0.06 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1rxc n VAL 104 Cb 0.57 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 3.42 3.26 3.77 2.92 0.00 0.05 -5.00 105.19 113.60 1rxc n GLY 105 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.11 5.03 -0.13 1.61 1.11 -0.75 -4.71 116.67 117.73 1rxc s ASP 106 Ca 0.00 2.04 -0.04 0.00 0.18 0.00 0.00 52.55 54.73 1rxc s ASP 106 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1rxc s ASP 106 CO 0.00 -1.68 0.01 -0.69 1.18 0.00 0.00 175.17 173.99 1rxc s VAL 107 N -2.29 4.37 -0.12 -1.27 1.01 -1.02 -0.88 120.40 120.19 1rxc s VAL 107 Ca 0.68 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1rxc s VAL 107 Cb -0.21 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1rxc s VAL 107 CO 0.41 0.54 -0.21 -0.76 0.00 0.00 0.00 175.10 175.08 1rxc s LEU 108 N -0.28 2.04 -0.20 3.92 1.43 -0.31 -1.79 118.68 123.49 1rxc s LEU 108 Ca 0.07 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1rxc s LEU 108 Cb -0.12 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1rxc s LEU 108 CO 0.02 0.09 0.03 -0.69 0.23 0.00 0.00 176.35 176.03 1rxc s VAL 109 N 0.70 4.32 -0.24 -1.59 1.01 -0.49 -1.82 120.40 122.29 1rxc s VAL 109 Ca -0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1rxc s VAL 109 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1rxc s VAL 109 CO 0.01 0.43 0.43 -0.89 0.00 0.00 0.00 175.10 175.08 1rxc s THR 110 N 0.80 5.15 0.01 3.92 2.01 -1.03 -2.20 115.64 124.30 1rxc s THR 110 Ca 0.02 0.73 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 1rxc s THR 110 Cb -0.14 -3.75 -0.27 0.00 0.01 0.00 0.00 72.50 68.34 1rxc s THR 110 CO 0.02 0.17 0.87 0.71 -0.69 0.00 0.00 174.62 175.71 1rxc h THR 111 N 5.24 1.17 -2.66 -0.82 1.35 -1.55 -3.42 112.91 112.22 1rxc h THR 111 Ca -0.33 -2.82 0.08 0.00 -0.55 0.00 0.00 66.41 62.80 1rxc h THR 111 Cb 1.16 2.76 -0.10 0.00 -1.73 0.00 0.00 68.15 70.24 1rxc h THR 111 CO 0.69 0.82 0.35 0.00 -0.25 0.00 0.00 175.52 177.13 1rxc s ALA 112 N -2.62 -1.57 0.06 6.62 0.00 -1.26 -0.96 121.76 122.03 1rxc s ALA 112 Ca -0.08 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.26 1rxc s ALA 112 Cb 0.07 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1rxc s ALA 112 CO 0.85 -0.89 -0.20 -1.12 0.00 0.00 0.00 175.76 174.41 1rxc s SER 113 N -2.78 2.35 0.02 0.00 0.01 -0.50 -1.87 113.70 110.92 1rxc s SER 113 Ca 0.07 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1rxc s SER 113 Cb -0.02 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 1rxc s SER 113 CO -0.03 0.11 1.16 -0.69 0.41 0.00 0.00 173.24 174.21 1rxc s VAL 114 N -0.90 4.22 -1.06 3.43 1.01 0.11 -4.37 120.40 122.85 1rxc s VAL 114 Ca 0.06 1.59 -0.16 0.00 0.00 0.00 0.00 61.98 63.46 1rxc s VAL 114 Cb -0.09 -4.02 0.15 0.00 0.00 0.00 0.00 36.38 32.42 1rxc s VAL 114 CO 0.02 0.09 1.26 -0.13 0.00 0.00 0.00 175.10 176.34 1rxc s ARG 115 N 1.36 3.83 -0.51 2.72 0.52 -1.26 -1.80 118.95 123.81 1rxc s ARG 115 Ca 0.57 -2.15 0.02 0.00 -0.52 0.00 0.00 55.73 53.65 1rxc s ARG 115 Cb -0.27 -4.97 0.54 0.00 0.52 0.00 0.00 34.95 30.77 1rxc s ARG 115 CO 0.27 -1.76 1.85 1.28 0.02 0.00 0.00 175.30 176.96 1rxc n LEU 116 N 6.08 6.66 -4.68 2.53 4.77 -0.59 -4.97 117.00 126.80 1rxc n LEU 116 Ca 0.30 -4.01 -0.30 0.00 -0.03 0.00 0.00 56.01 51.97 1rxc n LEU 116 Cb 0.46 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1rxc n LEU 116 CO 0.55 1.34 -0.27 1.51 -1.33 0.00 0.00 177.39 179.19 1rxc s ASP 117 N -1.87 3.95 -0.20 -1.43 3.84 -1.22 -1.39 116.67 118.35 1rxc s ASP 117 Ca 0.58 -1.51 0.07 0.00 -0.00 0.00 0.00 52.55 51.70 1rxc s ASP 117 Cb 0.48 0.05 -0.17 0.00 -1.38 0.00 0.00 42.92 41.90 1rxc s ASP 117 CO 0.04 -0.65 -0.09 0.61 -0.00 0.00 0.00 175.17 175.08 1rxc n GLY 118 N -1.10 -0.52 0.23 2.12 0.00 -1.26 -4.67 105.19 99.99 1rxc n GLY 118 Ca -0.12 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 0.35 1.62 -0.21 4.61 0.00 -1.98 -2.60 119.26 121.04 1rxc h ALA 119 Ca -0.47 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1rxc h ALA 119 Cb 1.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1rxc h ALA 119 CO -0.03 0.28 -0.09 0.66 0.00 0.00 0.00 179.25 180.07 1rxc h SER 120 N 0.09 0.31 0.52 0.00 4.64 -1.86 -1.72 113.55 115.53 1rxc h SER 120 Ca 0.02 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1rxc h SER 120 Cb 0.35 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1rxc h SER 120 CO 0.02 0.44 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.25 1rxc h LEU 121 N 0.32 0.00 0.00 5.97 3.38 -1.55 -1.20 115.31 122.23 1rxc h LEU 121 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rxc h LEU 121 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1rxc h LEU 121 CO 0.02 0.10 0.00 1.41 0.09 0.00 0.00 178.44 180.06 1rxc n HIS 122 N -3.45 0.00 -0.02 1.13 8.25 -0.65 -3.78 115.22 116.71 1rxc n HIS 122 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1rxc n HIS 122 Cb 0.26 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 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 -3.56 4.41 3.72 -0.64 -5.08 117.46 114.93 1rxc n PHE 123 Ca 0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.32 1rxc n PHE 123 Cb 0.23 -0.18 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.09 -1.78 0.90 4.37 0.00 -0.55 -5.00 121.76 117.62 1rxc s ALA 124 Ca -0.02 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1rxc s ALA 124 Cb 0.01 -0.40 0.14 0.00 0.00 0.00 0.00 23.12 22.87 1rxc s ALA 124 CO 0.15 -0.36 1.10 -1.25 0.00 0.00 0.00 175.76 175.40 1rxc s PRO 125 N -0.68 1.17 0.52 0.00 0.04 -1.26 -3.77 135.00 131.01 1rxc s PRO 125 Ca -0.07 1.19 0.18 0.00 0.04 0.00 0.00 61.00 62.34 1rxc s PRO 125 Cb -0.02 -1.77 1.28 0.00 0.04 0.00 0.00 34.50 34.03 1rxc s PRO 125 CO 0.07 -2.41 2.11 1.25 0.04 0.00 0.00 177.00 178.05 1rxc h LEU 126 N -1.69 0.03 -2.05 -3.56 5.85 -1.93 -1.49 115.31 110.46 1rxc h LEU 126 Ca -0.47 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1rxc h LEU 126 Cb 1.27 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1rxc h LEU 126 CO 0.48 0.02 -0.09 1.05 -0.34 0.00 0.00 178.44 179.56 1rxc h GLU 127 N 0.03 0.00 -6.59 1.25 9.09 -2.03 -3.43 114.58 112.92 1rxc h GLU 127 Ca 0.07 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.96 1rxc h GLU 127 Cb 0.25 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.39 1rxc h GLU 127 CO -0.00 0.09 0.78 0.12 0.05 0.00 0.00 179.01 180.04 1rxc s PHE 128 N -4.26 3.17 0.08 2.06 5.36 -0.56 -4.98 117.98 118.85 1rxc s PHE 128 Ca -0.03 0.85 -0.30 0.00 -0.96 0.00 0.00 56.93 56.49 1rxc s PHE 128 Cb 0.13 -3.77 -0.06 0.00 -0.34 0.00 0.00 43.02 38.98 1rxc s PHE 128 CO 0.57 -2.75 1.11 -1.25 -1.46 0.00 0.00 175.22 171.44 1rxc s PRO 129 N 0.98 4.52 -1.43 10.12 0.04 -1.26 -4.93 135.00 143.03 1rxc s PRO 129 Ca 0.66 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 63.22 1rxc s PRO 129 Cb -0.40 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 30.83 1rxc s PRO 129 CO 0.32 -0.10 2.16 0.00 0.04 0.00 0.00 177.00 179.42 1rxc n ALA 130 N 3.45 5.26 -2.67 8.56 0.00 -1.26 -4.78 120.51 129.08 1rxc n ALA 130 Ca 0.06 -3.87 -0.37 0.00 0.00 0.00 0.00 53.44 49.26 1rxc n ALA 130 Cb 0.47 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.31 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 3.36 5.23 0.65 0.00 0.11 -1.26 -1.41 120.40 127.08 1rxc s VAL 131 Ca 0.48 0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 60.00 1rxc s VAL 131 Cb 0.13 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1rxc s VAL 131 CO -0.07 0.54 1.06 0.00 -3.33 0.00 0.00 175.10 173.31 1rxc s ALA 132 N -0.65 2.66 0.37 1.54 0.00 -0.13 -4.72 121.76 120.83 1rxc s ALA 132 Ca 0.20 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 1rxc s ALA 132 Cb -0.14 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1rxc s ALA 132 CO 0.08 -1.08 1.21 0.34 0.00 0.00 0.00 175.76 176.31 1rxc s ASP 133 N -3.25 6.65 0.20 0.00 -1.08 -0.21 -4.95 116.67 114.03 1rxc s ASP 133 Ca 0.61 2.46 -0.06 0.00 -0.52 0.00 0.00 52.55 55.05 1rxc s ASP 133 Cb -0.15 -2.63 0.14 0.00 -1.46 0.00 0.00 42.92 38.82 1rxc s ASP 133 CO 0.46 -0.60 1.61 0.15 0.52 0.00 0.00 175.17 177.31 1rxc h PHE 134 N 2.98 0.93 -0.33 -5.34 3.04 -1.95 -1.77 116.94 114.49 1rxc h PHE 134 Ca -0.49 -0.22 -0.09 0.00 3.98 0.00 0.00 57.97 61.15 1rxc h PHE 134 Cb 1.23 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 1rxc h PHE 134 CO 0.55 0.97 -0.16 0.93 -2.02 0.00 0.00 178.31 178.58 1rxc h GLU 135 N 0.70 0.69 -0.48 1.11 5.08 -1.96 -1.14 114.58 118.60 1rxc h GLU 135 Ca 0.09 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1rxc h GLU 135 Cb 0.76 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1rxc h GLU 135 CO 0.06 0.90 -0.01 0.00 -1.00 0.00 0.00 179.01 178.97 1rxc h THR 137 N 0.70 0.98 -0.75 0.00 2.02 -1.34 -1.36 112.91 113.16 1rxc h THR 137 Ca 0.13 -0.26 0.13 0.00 0.77 0.00 0.00 66.41 67.18 1rxc h THR 137 Cb 0.52 1.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.99 1rxc h THR 137 CO 0.03 0.07 0.33 0.74 0.37 0.00 0.00 175.52 177.06 1rxc h THR 138 N -0.25 0.73 -0.21 3.16 2.02 -1.12 -1.24 112.91 116.00 1rxc h THR 138 Ca -0.01 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1rxc h THR 138 Cb 0.21 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1rxc h THR 138 CO 0.02 0.09 -0.48 0.00 0.37 0.00 0.00 175.52 175.53 1rxc h ALA 139 N 1.51 0.77 -0.47 6.16 0.00 -1.12 -1.35 119.26 124.76 1rxc h ALA 139 Ca 0.40 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1rxc h ALA 139 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rxc h ALA 139 CO -0.36 0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 179.28 1rxc h LEU 140 N 0.44 0.99 -0.08 0.00 3.38 -0.64 -0.65 115.31 118.75 1rxc h LEU 140 Ca 0.02 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1rxc h LEU 140 Cb 1.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1rxc h LEU 140 CO 0.09 1.17 -0.19 0.58 0.09 0.00 0.00 178.44 180.18 1rxc h VAL 141 N 0.81 1.41 -0.54 1.22 2.07 -1.07 -1.15 116.25 119.00 1rxc h VAL 141 Ca 0.11 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1rxc h VAL 141 Cb 0.78 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1rxc h VAL 141 CO 0.06 0.43 0.23 -0.33 0.02 0.00 0.00 177.57 177.98 1rxc h GLU 142 N -0.20 0.77 -0.60 1.57 5.08 -1.33 -0.95 114.58 118.92 1rxc h GLU 142 Ca -0.00 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1rxc h GLU 142 Cb 0.79 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1rxc h GLU 142 CO 0.04 0.62 0.11 0.00 -1.00 0.00 0.00 179.01 178.78 1rxc h ALA 143 N 1.49 0.79 -0.81 3.43 0.00 -1.02 -1.10 119.26 122.04 1rxc h ALA 143 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rxc h ALA 143 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1rxc h ALA 143 CO -0.02 0.53 0.39 0.00 0.00 0.00 0.00 179.25 180.15 1rxc h ALA 144 N 1.02 1.16 -0.50 0.00 0.00 -0.83 -2.88 119.26 117.23 1rxc h ALA 144 Ca 0.18 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rxc h ALA 144 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rxc h ALA 144 CO 0.01 0.64 -0.10 0.87 0.00 0.00 0.00 179.25 180.66 1rxc h LYS 145 N 1.15 0.92 0.00 0.00 6.56 -0.85 -2.80 116.57 121.54 1rxc h LYS 145 Ca 0.28 -0.32 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 1rxc h LYS 145 Cb 0.11 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1rxc h LYS 145 CO -0.04 0.97 -0.42 0.66 -2.06 0.00 0.00 179.45 178.57 1rxc h SER 146 N 0.83 0.00 -0.35 0.86 4.64 -1.00 -2.95 113.55 115.57 1rxc h SER 146 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1rxc h SER 146 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1rxc h SER 146 CO 0.04 0.42 0.00 2.30 -0.87 0.00 0.00 176.83 178.72 1rxc n ILE 147 N -3.62 0.45 -0.53 0.95 -6.64 -1.12 -4.99 119.36 103.86 1rxc n ILE 147 Ca -0.01 -0.72 0.00 0.00 -1.77 0.00 0.00 62.75 60.26 1rxc n ILE 147 Cb 0.52 1.02 0.00 0.00 -1.44 0.00 0.00 39.64 39.74 1rxc n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxc n GLY 148 N 1.49 1.37 3.69 3.28 0.00 -1.08 -5.02 105.19 108.92 1rxc n GLY 148 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1rxc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc n ALA 149 N 0.10 1.09 -2.65 4.61 0.00 -1.08 -4.93 120.51 117.64 1rxc n ALA 149 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1rxc n ALA 149 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 1rxc n ALA 149 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rxc s THR 150 N -1.24 4.73 0.03 0.00 -4.23 -1.26 -4.75 115.64 108.92 1rxc s THR 150 Ca 0.63 1.75 0.07 0.00 -1.18 0.00 0.00 61.69 62.96 1rxc s THR 150 Cb -0.50 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.09 1rxc s THR 150 CO 0.56 -0.18 -0.21 -0.89 -0.54 0.00 0.00 174.62 173.37 1rxc s THR 151 N 3.09 1.66 -0.01 3.99 2.01 -1.26 -2.42 115.64 122.70 1rxc s THR 151 Ca 0.40 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1rxc s THR 151 Cb -0.15 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 1rxc s THR 151 CO 0.08 0.28 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.12 1rxc s HIS 152 N -0.71 1.47 -0.08 4.92 3.76 -0.74 -5.01 115.29 118.90 1rxc s HIS 152 Ca 0.08 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 1rxc s HIS 152 Cb -0.09 -0.94 0.01 0.00 1.11 0.00 0.00 32.58 32.67 1rxc s HIS 152 CO 0.01 -0.01 -0.18 0.08 -0.85 0.00 0.00 174.74 173.79 1rxc s VAL 153 N -0.44 1.60 -2.02 -0.90 1.01 -1.26 -1.39 120.40 116.99 1rxc s VAL 153 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1rxc s VAL 153 Cb -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1rxc s VAL 153 CO -0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1rxc n GLY 154 N 3.69 -0.73 3.84 4.51 0.00 -0.93 -4.99 105.19 110.57 1rxc n GLY 154 Ca -0.21 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.00 4.72 -0.03 1.61 1.01 -1.26 -1.33 120.40 122.13 1rxc s VAL 155 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.00 1rxc s VAL 155 Cb 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1rxc s VAL 155 CO 0.00 0.08 -0.20 -0.89 0.00 0.00 0.00 175.10 174.09 1rxc s THR 156 N -1.67 1.61 -0.18 3.92 2.01 -0.78 -1.80 115.64 118.75 1rxc s THR 156 Ca 0.45 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 1rxc s THR 156 Cb -0.14 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1rxc s THR 156 CO 0.20 0.46 0.56 0.00 -0.69 0.00 0.00 174.62 175.15 1rxc s ALA 157 N -0.33 3.52 -0.27 7.40 0.00 0.47 0.05 121.76 132.60 1rxc s ALA 157 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1rxc s ALA 157 Cb -0.09 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.23 1rxc s ALA 157 CO 0.00 -0.40 -0.07 0.45 0.00 0.00 0.00 175.76 175.74 1rxc s SER 158 N 1.08 4.60 -0.03 0.00 0.15 -0.75 -1.59 113.70 117.16 1rxc s SER 158 Ca 0.27 -1.33 0.02 0.00 0.70 0.00 0.00 55.95 55.61 1rxc s SER 158 Cb -0.16 -1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1rxc s SER 158 CO 0.10 -0.21 -0.08 -0.55 1.20 0.00 0.00 173.24 173.70 1rxc s SER 159 N 1.16 4.54 0.00 5.45 0.15 -0.07 -1.54 113.70 123.39 1rxc s SER 159 Ca -0.07 -0.10 0.22 0.00 0.70 0.00 0.00 55.95 56.69 1rxc s SER 159 Cb -0.20 -1.08 1.04 0.00 -1.71 0.00 0.00 66.02 64.08 1rxc s SER 159 CO -0.04 0.33 1.69 0.47 1.20 0.00 0.00 173.24 176.89 1rxc n ASP 160 N 1.94 0.00 -4.20 5.45 9.92 -0.49 -4.32 116.55 124.85 1rxc n ASP 160 Ca -0.17 0.13 -0.18 0.00 -0.53 0.00 0.00 54.79 54.04 1rxc n ASP 160 Cb 0.53 -0.35 -0.12 0.00 -0.64 0.00 0.00 41.12 40.54 1rxc n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1rxc s THR 161 N -2.70 1.18 0.13 -3.53 -4.23 -1.26 -5.02 115.64 100.21 1rxc s THR 161 Ca 0.18 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1rxc s THR 161 Cb 0.14 -1.27 -0.21 0.00 1.34 0.00 0.00 72.50 72.50 1rxc s THR 161 CO 0.35 -0.33 1.28 0.15 -0.54 0.00 0.00 174.62 175.53 1rxc h PHE 162 N 3.93 0.25 0.00 3.99 3.57 -1.97 -3.37 116.94 123.34 1rxc h PHE 162 Ca -0.40 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1rxc h PHE 162 Cb 1.19 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1rxc h PHE 162 CO 0.64 1.06 0.00 0.66 -2.23 0.00 0.00 178.31 178.44 1rxc n TYR 163 N -3.52 0.00 0.23 0.41 4.01 -1.26 -4.29 117.16 112.74 1rxc n TYR 163 Ca -0.04 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.77 1rxc n TYR 163 Cb 0.91 0.00 0.55 0.00 -0.31 0.00 0.00 39.34 40.49 1rxc n TYR 163 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1rxc h PRO 164 N 0.00 0.00 0.00 -0.72 0.13 -1.87 -1.66 132.00 127.88 1rxc h PRO 164 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1rxc h PRO 164 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rxc h PRO 164 CO 0.00 0.15 -0.14 0.78 -0.23 0.00 0.00 178.00 178.56 1rxc h GLY 165 N 0.50 0.00 -2.67 1.56 0.00 -1.85 -2.24 103.07 98.37 1rxc h GLY 165 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rxc h GLY 165 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 1rxc n GLN 166 N -3.18 3.95 -3.84 4.80 6.02 -0.91 -4.95 117.38 119.27 1rxc n GLN 166 Ca 0.02 -2.97 -0.24 0.00 -0.01 0.00 0.00 57.00 53.80 1rxc n GLN 166 Cb 0.50 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.74 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 0.26 -4.11 -3.19 -1.09 2.13 -0.84 -4.93 120.64 108.87 1rxc n GLU 167 Ca 0.25 0.51 -0.39 0.00 0.66 0.00 0.00 57.16 58.19 1rxc n GLU 167 Cb 1.02 -4.87 -0.06 0.00 0.27 0.00 0.00 31.44 27.80 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 -6.30 4.33 -0.01 5.31 0.52 -0.67 -4.98 118.95 117.15 1rxc s ARG 168 Ca 0.04 0.74 0.16 0.00 -0.52 0.00 0.00 55.73 56.14 1rxc s ARG 168 Cb -0.02 -3.36 -0.21 0.00 0.52 0.00 0.00 34.95 31.88 1rxc s ARG 168 CO 0.85 0.32 0.47 0.66 0.02 0.00 0.00 175.30 177.62 1rxc n TYR 169 N 2.89 0.00 -2.06 -0.53 4.01 -1.26 -4.46 117.16 115.75 1rxc n TYR 169 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 1rxc n TYR 169 Cb 0.51 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1rxc n TYR 169 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rxc n ASP 170 N -1.77 4.33 -3.99 7.72 4.64 -1.26 -4.21 116.55 122.01 1rxc n ASP 170 Ca -0.01 -2.90 -0.15 0.00 -1.38 0.00 0.00 54.79 50.36 1rxc n ASP 170 Cb 0.34 -1.65 -0.10 0.00 -1.04 0.00 0.00 41.12 38.67 1rxc n ASP 170 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1rxc s THR 171 N 2.98 0.06 0.19 5.18 -4.23 -1.26 -5.03 115.64 113.53 1rxc s THR 171 Ca 0.47 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1rxc s THR 171 Cb 0.10 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.55 1rxc s THR 171 CO -0.04 0.00 1.75 0.22 -0.54 0.00 0.00 174.62 176.01 1rxc h TYR 172 N 2.46 0.36 0.07 3.99 3.20 -1.99 -3.02 116.97 122.04 1rxc h TYR 172 Ca -0.33 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.27 1rxc h TYR 172 Cb 1.25 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1rxc h TYR 172 CO 0.73 0.11 -1.55 0.66 -1.64 0.00 0.00 178.16 176.47 1rxc h SER 173 N 0.39 0.24 0.00 -2.11 4.64 -1.97 -3.48 113.55 111.26 1rxc h SER 173 Ca 0.27 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1rxc h SER 173 Cb 0.30 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1rxc h SER 173 CO -0.27 1.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 1rxc n GLY 174 N 1.63 0.70 3.48 -0.77 0.00 -1.14 -5.02 105.19 104.05 1rxc n GLY 174 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.15 1.71 -0.05 1.61 1.70 -1.26 -4.88 118.95 117.62 1rxc s ARG 175 Ca 0.00 -1.52 0.05 0.00 -0.47 0.00 0.00 55.73 53.79 1rxc s ARG 175 Cb 0.00 -1.91 -0.02 0.00 -0.57 0.00 0.00 34.95 32.44 1rxc s ARG 175 CO 0.00 0.39 -0.18 0.08 -1.08 0.00 0.00 175.30 174.51 1rxc s VAL 176 N -1.88 2.72 0.57 4.99 1.01 -1.26 -4.93 120.40 121.62 1rxc s VAL 176 Ca 0.24 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1rxc s VAL 176 Cb -0.07 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1rxc s VAL 176 CO 0.13 0.58 1.25 0.54 0.00 0.00 0.00 175.10 177.60 1rxc s VAL 177 N -0.58 2.46 0.26 2.92 0.11 -1.26 -4.67 120.40 119.64 1rxc s VAL 177 Ca 0.08 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 1rxc s VAL 177 Cb -0.11 -3.14 0.38 0.00 -1.53 0.00 0.00 36.38 31.98 1rxc s VAL 177 CO 0.01 -0.04 1.52 -1.14 -3.33 0.00 0.00 175.10 172.12 1rxc n ARG 178 N -1.35 -0.14 -0.31 1.54 0.63 -1.26 -1.05 116.66 114.71 1rxc n ARG 178 Ca 0.12 1.51 0.13 0.00 -0.92 0.00 0.00 57.85 58.69 1rxc n ARG 178 Cb 0.48 -2.26 0.35 0.00 0.45 0.00 0.00 32.46 31.49 1rxc n ARG 178 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1rxc h HIS 179 N 0.00 0.93 -0.03 -0.14 2.76 -2.02 -2.36 115.15 114.29 1rxc h HIS 179 Ca 0.42 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1rxc h HIS 179 Cb 0.67 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1rxc h HIS 179 CO -0.79 0.28 -0.11 1.19 -1.30 0.00 0.00 177.93 177.21 1rxc n PHE 180 N -4.63 0.00 -2.19 5.26 3.01 -0.22 -4.81 117.46 113.88 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 0.52 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 1rxc n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1rxc s LYS 181 N -2.11 4.27 0.00 -1.08 1.02 -0.89 -2.15 119.74 118.79 1rxc s LYS 181 Ca 0.26 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.25 1rxc s LYS 181 Cb 0.20 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1rxc s LYS 181 CO 0.36 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1rxc n GLY 182 N 3.70 0.92 0.25 -3.33 0.00 -1.26 -4.93 105.19 100.54 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 0.71 -0.52 1.61 4.64 -1.75 -2.92 113.55 115.33 1rxc h SER 183 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1rxc h SER 183 Cb 0.00 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 1rxc h SER 183 CO 0.00 0.97 0.34 -0.03 -0.87 0.00 0.00 176.83 177.24 1rxc h MET 184 N 0.59 0.69 -0.42 4.77 -1.53 -1.92 -0.83 114.93 116.27 1rxc h MET 184 Ca 0.07 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.26 1rxc h MET 184 Cb 0.81 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.69 1rxc h MET 184 CO 0.07 0.46 0.15 1.49 0.14 0.00 0.00 176.91 179.22 1rxc h GLU 185 N 0.70 0.61 -0.11 0.39 4.81 -1.94 -1.15 114.58 117.89 1rxc h GLU 185 Ca 0.19 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 59.14 1rxc h GLU 185 Cb -0.07 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1rxc h GLU 185 CO -0.04 0.52 -0.72 1.49 -0.73 0.00 0.00 179.01 179.53 1rxc h GLU 186 N 0.60 0.51 -0.37 1.92 4.81 -1.23 -1.48 114.58 119.34 1rxc h GLU 186 Ca 0.15 -0.40 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 1rxc h GLU 186 Cb 0.15 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1rxc h GLU 186 CO -0.01 1.03 -0.25 -1.49 -0.73 0.00 0.00 179.01 177.56 1rxc h TRP 187 N 0.35 0.86 -0.63 0.92 -0.00 -0.75 -1.91 115.95 114.79 1rxc h TRP 187 Ca -0.03 -0.20 -0.07 0.00 -0.00 0.00 0.00 58.89 58.59 1rxc h TRP 187 Cb 1.30 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.16 30.23 1rxc h TRP 187 CO 0.05 0.92 0.11 0.37 -0.00 0.00 0.00 178.44 179.90 1rxc h GLN 188 N 0.65 1.02 0.00 0.49 4.15 -1.19 -0.96 115.11 119.28 1rxc h GLN 188 Ca 0.09 -0.26 -0.11 0.00 0.77 0.00 0.00 58.65 59.14 1rxc h GLN 188 Cb 0.76 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1rxc h GLN 188 CO 0.06 0.93 -0.52 0.00 -1.93 0.00 0.00 178.83 177.38 1rxc h ALA 189 N 1.15 1.08 -0.03 3.38 0.00 -1.05 -2.79 119.26 121.00 1rxc h ALA 189 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rxc h ALA 189 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rxc h ALA 189 CO 0.01 0.65 0.00 -1.33 0.00 0.00 0.00 179.25 178.58 1rxc n MET 190 N -3.82 1.19 -0.57 0.00 2.81 -0.74 -4.91 117.12 111.08 1rxc n MET 190 Ca -0.01 -0.28 0.00 0.00 -1.81 0.00 0.00 57.70 55.60 1rxc n MET 190 Cb 0.55 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 1rxc n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxc n GLY 191 N 0.93 0.77 3.71 3.03 0.00 -1.00 -5.03 105.19 107.61 1rxc n GLY 191 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1rxc n GLY 191 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rxc n VAL 192 N -2.10 0.83 0.08 1.61 0.31 -0.42 -4.67 118.33 113.97 1rxc n VAL 192 Ca 0.00 -0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 63.90 1rxc n VAL 192 Cb 0.00 -1.76 -0.15 0.00 -0.91 0.00 0.00 33.84 31.02 1rxc n VAL 192 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rxc h MET 193 N 4.85 0.38 -2.59 5.55 0.00 -1.67 -3.41 114.93 118.03 1rxc h MET 193 Ca -0.46 -0.64 0.12 0.00 0.00 0.00 0.00 59.70 58.72 1rxc h MET 193 Cb 1.24 0.24 -0.08 0.00 0.00 0.00 0.00 31.60 33.00 1rxc h MET 193 CO 0.80 1.29 0.39 0.54 0.00 0.00 0.00 176.91 179.92 1rxc s ASN 194 N -7.25 -0.26 -0.08 1.22 4.22 -1.26 -0.57 114.94 110.96 1rxc s ASN 194 Ca -0.14 -0.37 0.03 0.00 -2.14 0.00 0.00 52.86 50.23 1rxc s ASN 194 Cb 0.06 0.56 -0.02 0.00 1.28 0.00 0.00 41.25 43.12 1rxc s ASN 194 CO 0.86 -1.00 -0.16 -0.31 -2.04 0.00 0.00 177.10 174.45 1rxc s TYR 195 N -3.49 2.68 0.00 1.54 2.02 0.05 -0.39 117.35 119.76 1rxc s TYR 195 Ca 0.10 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1rxc s TYR 195 Cb -0.03 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1rxc s TYR 195 CO 0.01 -0.02 0.00 -0.85 -1.57 0.00 0.00 175.55 173.11 1rxc n GLU 196 N 2.83 0.00 0.00 -0.62 -0.00 -0.62 -2.58 120.64 119.65 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.65 0.00 3.44 2.81 -1.26 -0.90 117.12 121.87 1rxc n MET 197 Ca 0.00 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1rxc n MET 197 Cb 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 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 -0.14 1.83 0.13 0.03 4.71 -1.26 -3.67 120.64 122.27 1rxc n GLU 198 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1rxc n GLU 198 Cb 0.09 -0.83 0.14 0.00 -1.01 0.00 0.00 31.44 29.83 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 0.00 -0.41 1.62 4.64 -1.94 -1.89 113.55 115.57 1rxc h SER 199 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rxc h SER 199 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1rxc h SER 199 CO 0.00 0.66 0.26 0.00 -0.87 0.00 0.00 176.83 176.88 1rxc h ALA 200 N 1.34 0.52 -0.02 5.18 0.00 -1.87 -0.90 119.26 123.51 1rxc h ALA 200 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1rxc h ALA 200 Cb 1.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rxc h ALA 200 CO 0.09 -0.01 -0.01 1.15 0.00 0.00 0.00 179.25 180.47 1rxc h THR 201 N 0.55 1.29 0.08 0.00 2.02 -1.86 -1.78 112.91 113.22 1rxc h THR 201 Ca 0.15 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1rxc h THR 201 Cb -0.04 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1rxc h THR 201 CO -0.03 0.24 -0.19 0.25 0.37 0.00 0.00 175.52 176.15 1rxc h LEU 202 N -0.31 -0.54 -0.31 2.58 5.85 -1.29 -0.49 115.31 120.79 1rxc h LEU 202 Ca 0.01 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 1rxc h LEU 202 Cb 0.39 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1rxc h LEU 202 CO 0.00 -0.27 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.34 1rxc h LEU 203 N -0.36 0.92 -0.19 2.25 3.38 -1.25 -2.03 115.31 118.04 1rxc h LEU 203 Ca 0.03 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1rxc h LEU 203 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rxc h LEU 203 CO -0.12 1.24 0.08 0.74 0.09 0.00 0.00 178.44 180.46 1rxc h THR 204 N 0.62 1.16 0.00 0.22 2.02 -1.28 -1.39 112.91 114.26 1rxc h THR 204 Ca 0.04 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1rxc h THR 204 Cb 1.02 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1rxc h THR 204 CO 0.10 0.15 -0.34 0.00 0.37 0.00 0.00 175.52 175.80 1rxc h MET 205 N 0.15 0.00 0.13 6.66 -0.00 -1.02 -2.56 114.93 118.29 1rxc h MET 205 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.52 1rxc h MET 205 Cb 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.78 1rxc h MET 205 CO -0.01 0.34 -1.21 0.00 -0.00 0.00 0.00 176.91 176.04 1rxc h ALA 207 N 0.00 1.00 -0.17 0.00 0.00 -1.22 -1.48 119.26 117.39 1rxc h ALA 207 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rxc h ALA 207 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 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 -2.90 3.08 -0.12 0.00 3.41 -0.97 -4.36 113.62 111.76 1rxc n SER 208 Ca 0.01 -1.97 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 1rxc n SER 208 Cb 0.27 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.01 -1.03 4.33 6.02 -0.93 -5.02 117.38 123.09 1rxc n GLN 209 Ca 0.16 -1.20 -0.01 0.00 -0.01 0.00 0.00 57.00 55.94 1rxc n GLN 209 Cb 0.58 -0.79 -0.00 0.00 1.02 0.00 0.00 30.24 31.05 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 -0.36 0.46 3.84 1.08 0.00 -0.97 -5.03 105.19 104.21 1rxc n GLY 210 Ca 0.03 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.21 4.44 -0.06 0.99 1.43 -0.60 -5.04 118.68 119.62 1rxc s LEU 211 Ca 0.00 1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 53.87 1rxc s LEU 211 Cb 0.00 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1rxc s LEU 211 CO 0.00 0.25 0.73 -0.13 0.23 0.00 0.00 176.35 177.43 1rxc s ARG 212 N -1.40 4.45 -0.01 1.70 0.52 -0.22 -3.96 118.95 120.03 1rxc s ARG 212 Ca 0.29 0.94 0.02 0.00 -0.52 0.00 0.00 55.73 56.46 1rxc s ARG 212 Cb -0.16 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 31.86 1rxc s ARG 212 CO 0.16 0.05 -0.07 0.00 0.02 0.00 0.00 175.30 175.46 1rxc s ALA 213 N 0.82 0.66 0.24 2.13 0.00 -1.26 -0.46 121.76 123.89 1rxc s ALA 213 Ca 0.39 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1rxc s ALA 213 Cb -0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1rxc s ALA 213 CO 0.19 0.13 -0.14 0.20 0.00 0.00 0.00 175.76 176.14 1rxc s GLY 214 N -0.00 1.63 -0.04 0.00 0.00 0.04 -1.04 107.32 107.91 1rxc s GLY 214 Ca 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 1rxc s GLY 214 CO -0.00 -1.83 0.09 -0.29 0.00 0.00 0.00 173.10 171.06 1rxc s MET 215 N -3.63 0.01 0.02 2.90 1.75 -1.26 -1.09 119.30 118.01 1rxc s MET 215 Ca 0.26 0.31 -0.07 0.00 -1.25 0.00 0.00 55.69 54.94 1rxc s MET 215 Cb -0.01 -0.26 -0.00 0.00 2.84 0.00 0.00 34.83 37.40 1rxc s MET 215 CO 0.10 -0.20 0.14 0.54 -0.65 0.00 0.00 175.02 174.95 1rxc s VAL 216 N 1.35 0.11 -0.10 10.11 0.11 -0.53 -2.47 120.40 128.99 1rxc s VAL 216 Ca -0.06 -0.89 -0.28 0.00 -2.93 0.00 0.00 61.98 57.82 1rxc s VAL 216 Cb -0.12 -0.72 0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1rxc s VAL 216 CO -0.04 -0.49 0.65 0.00 -3.33 0.00 0.00 175.10 171.88 1rxc s ALA 217 N -2.11 -1.66 -0.04 1.54 0.00 -0.76 -1.71 121.76 117.02 1rxc s ALA 217 Ca -0.09 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 1rxc s ALA 217 Cb -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1rxc s ALA 217 CO -0.02 -0.35 0.41 0.20 0.00 0.00 0.00 175.76 176.00 1rxc s GLY 218 N -0.83 2.44 -0.45 0.00 0.00 -0.70 -1.16 107.32 106.62 1rxc s GLY 218 Ca -0.09 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.11 1rxc s GLY 218 CO 0.07 0.28 1.11 0.14 0.00 0.00 0.00 173.10 174.71 1rxc s VAL 219 N -0.62 4.27 -1.55 1.40 1.01 -0.06 -1.99 120.40 122.86 1rxc s VAL 219 Ca 0.23 1.26 0.21 0.00 0.00 0.00 0.00 61.98 63.69 1rxc s VAL 219 Cb -0.16 -4.56 -0.10 0.00 0.00 0.00 0.00 36.38 31.55 1rxc s VAL 219 CO 0.12 -0.92 0.99 2.30 0.00 0.00 0.00 175.10 177.59 1rxc n ILE 220 N 6.67 0.00 -3.55 2.22 -5.35 -0.74 -0.77 119.36 117.84 1rxc n ILE 220 Ca 0.11 -0.16 -0.17 0.00 -0.27 0.00 0.00 62.75 62.26 1rxc n ILE 220 Cb 0.49 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.47 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 -2.65 0.01 -0.22 7.28 0.11 -1.24 -4.24 120.40 119.45 1rxc s VAL 221 Ca 0.14 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1rxc s VAL 221 Cb 0.17 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1rxc s VAL 221 CO 0.68 -0.03 -0.04 0.21 -3.33 0.00 0.00 175.10 172.59 1rxc s ASN 222 N -1.17 4.32 0.42 3.54 3.84 -1.26 -1.25 114.94 123.37 1rxc s ASN 222 Ca -0.11 -0.38 0.28 0.00 0.21 0.00 0.00 52.86 52.86 1rxc s ASN 222 Cb -0.01 -1.74 1.05 0.00 -0.55 0.00 0.00 41.25 40.01 1rxc s ASN 222 CO 0.09 -0.01 1.83 0.03 -2.79 0.00 0.00 177.10 176.25 1rxc h ARG 223 N 8.05 0.00 0.00 0.43 2.47 -0.72 -2.39 114.38 122.23 1rxc h ARG 223 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1rxc h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1rxc h ARG 223 CO 0.60 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.38 1rxc n THR 224 N -2.76 0.48 0.00 2.04 -2.24 -1.26 -3.55 114.28 106.99 1rxc n THR 224 Ca 0.02 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1rxc n THR 224 Cb 0.33 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1rxc n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxc n GLN 225 N -1.25 0.40 -3.64 -0.78 6.02 -0.91 -5.12 117.38 112.09 1rxc n GLN 225 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.04 1rxc n GLN 225 Cb 0.12 -0.99 -0.06 0.00 1.02 0.00 0.00 30.24 30.33 1rxc n GLN 225 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1rxc s GLN 226 N -1.96 0.11 -0.21 -1.09 0.74 -1.17 -5.08 119.66 111.00 1rxc s GLN 226 Ca 0.00 0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.31 1rxc s GLN 226 Cb 0.00 0.05 -0.15 0.00 1.10 0.00 0.00 33.01 34.01 1rxc s GLN 226 CO 0.00 -0.02 0.05 0.39 -0.55 0.00 0.00 175.29 175.16 1rxc n GLU 227 N 1.20 0.55 -3.31 1.67 1.02 -1.26 -4.04 120.64 116.48 1rxc n GLU 227 Ca -0.07 0.52 -0.38 0.00 -0.02 0.00 0.00 57.16 57.21 1rxc n GLU 227 Cb 0.58 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1rxc n GLU 227 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rxc s ILE 228 N -2.38 5.18 0.44 -3.67 -1.09 -1.26 -5.00 121.20 113.42 1rxc s ILE 228 Ca -0.28 0.95 -0.25 0.00 -2.23 0.00 0.00 60.65 58.84 1rxc s ILE 228 Cb 0.06 -3.82 -0.08 0.00 -1.58 0.00 0.00 42.46 37.04 1rxc s ILE 228 CO 0.51 0.31 1.41 -2.84 -1.23 0.00 0.00 174.94 173.10 1rxc s PRO 229 N 0.71 3.75 -0.22 2.79 0.02 -1.26 -4.98 135.00 135.80 1rxc s PRO 229 Ca 0.26 2.38 -0.21 0.00 0.02 0.00 0.00 61.00 63.45 1rxc s PRO 229 Cb -0.15 -2.68 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 1rxc s PRO 229 CO 0.10 -0.75 0.63 1.21 -0.33 0.00 0.00 177.00 177.86 1rxc s ASN 230 N -0.53 6.64 0.55 2.53 3.84 -1.26 -4.96 114.94 121.74 1rxc s ASN 230 Ca 0.60 0.78 0.27 0.00 0.21 0.00 0.00 52.86 54.71 1rxc s ASN 230 Cb -0.43 -2.34 1.59 0.00 -0.55 0.00 0.00 41.25 39.52 1rxc s ASN 230 CO 0.55 -0.32 2.16 0.00 -2.79 0.00 0.00 177.10 176.71 1rxc h ALA 231 N 7.67 1.49 -0.17 1.71 0.00 -1.93 -3.04 119.26 124.98 1rxc h ALA 231 Ca -0.29 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1rxc h ALA 231 Cb 1.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1rxc h ALA 231 CO 0.77 0.07 0.12 0.39 0.00 0.00 0.00 179.25 180.61 1rxc n GLU 232 N -3.86 1.23 -0.17 0.00 -0.58 -1.26 -3.05 120.64 112.95 1rxc n GLU 232 Ca -0.03 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 1rxc n GLU 232 Cb 0.15 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1rxc n GLU 232 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1rxc n THR 233 N 0.43 0.00 0.02 2.62 5.66 -1.15 -5.02 114.28 116.84 1rxc n THR 233 Ca 0.10 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.90 1rxc n THR 233 Cb 0.66 0.23 -0.14 0.00 -1.55 0.00 0.00 70.33 69.52 1rxc n THR 233 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1rxc h MET 234 N 0.00 0.26 0.00 1.09 2.86 -1.69 -3.31 114.93 114.14 1rxc h MET 234 Ca 0.00 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 57.16 1rxc h MET 234 Cb 1.04 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1rxc h MET 234 CO 0.00 1.17 -0.12 0.87 1.06 0.00 0.00 176.91 179.88 1rxc h LYS 235 N 0.07 0.00 -0.38 1.72 1.79 -1.95 -1.28 116.57 116.54 1rxc h LYS 235 Ca -0.39 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.02 1rxc h LYS 235 Cb 2.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.68 1rxc h LYS 235 CO 0.11 0.12 0.02 1.96 -1.08 0.00 0.00 179.45 180.58 1rxc h GLN 236 N 0.00 0.65 0.00 3.15 4.20 -1.96 -3.28 115.11 117.87 1rxc h GLN 236 Ca -0.00 -0.20 -0.19 0.00 0.06 0.00 0.00 58.65 58.32 1rxc h GLN 236 Cb 0.93 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1rxc h GLN 236 CO 0.02 0.74 -0.94 0.00 -0.67 0.00 0.00 178.83 177.98 1rxc h THR 237 N 0.48 1.38 -0.16 -0.54 1.03 -1.62 -3.34 112.91 110.14 1rxc h THR 237 Ca 0.11 -3.00 -0.03 0.00 -0.01 0.00 0.00 66.41 63.48 1rxc h THR 237 Cb 0.44 2.67 -0.01 0.00 -1.07 0.00 0.00 68.15 70.19 1rxc h THR 237 CO 0.02 0.78 -0.01 -0.08 -0.01 0.00 0.00 175.52 176.22 1rxc h GLU 238 N 0.00 0.29 0.00 0.00 4.81 -1.33 -3.05 114.58 115.30 1rxc h GLU 238 Ca -0.04 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1rxc h GLU 238 Cb 1.68 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.04 1rxc h GLU 238 CO 0.11 0.53 0.00 0.66 -0.73 0.00 0.00 179.01 179.57 1rxc h SER 239 N 0.02 0.00 -0.04 1.04 4.64 -1.70 -2.40 113.55 115.11 1rxc h SER 239 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1rxc h SER 239 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1rxc h SER 239 CO 0.01 0.00 -0.15 -0.74 -0.87 0.00 0.00 176.83 175.08 1rxc h HIS 240 N 0.00 0.24 -0.26 4.77 2.76 -1.65 -3.02 115.15 118.00 1rxc h HIS 240 Ca 0.00 -0.10 -0.15 0.00 -2.20 0.00 0.00 60.37 57.92 1rxc h HIS 240 Cb 0.33 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1rxc h HIS 240 CO 0.00 0.78 -0.47 0.00 -1.30 0.00 0.00 177.93 176.94 1rxc h ALA 241 N 0.41 0.70 -0.89 5.26 0.00 -1.51 -2.89 119.26 120.34 1rxc h ALA 241 Ca -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1rxc h ALA 241 Cb 0.79 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1rxc h ALA 241 CO 0.03 0.67 0.57 0.28 0.00 0.00 0.00 179.25 180.80 1rxc h VAL 242 N 0.54 1.11 -0.35 0.00 2.07 -1.55 -1.65 116.25 116.42 1rxc h VAL 242 Ca 0.03 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1rxc h VAL 242 Cb 1.02 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1rxc h VAL 242 CO 0.10 0.20 0.22 0.50 0.02 0.00 0.00 177.57 178.60 1rxc h LYS 243 N 1.08 0.44 -0.54 1.57 1.63 -1.38 -2.60 116.57 116.77 1rxc h LYS 243 Ca 0.36 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.07 1rxc h LYS 243 Cb 0.06 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1rxc h LYS 243 CO -0.14 0.29 0.07 0.82 -3.45 0.00 0.00 179.45 177.05 1rxc h ILE 244 N 0.45 1.26 -0.38 2.00 2.04 -1.23 -2.30 117.51 119.34 1rxc h ILE 244 Ca 0.13 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.92 1rxc h ILE 244 Cb -0.03 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1rxc h ILE 244 CO -0.04 0.36 -0.13 1.62 0.00 0.00 0.00 178.15 179.95 1rxc h VAL 245 N 0.79 1.25 -0.41 1.67 3.04 -1.24 0.19 116.25 121.54 1rxc h VAL 245 Ca 0.16 -1.16 -0.11 0.00 -1.01 0.00 0.00 66.70 64.58 1rxc h VAL 245 Cb 0.43 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1rxc h VAL 245 CO 0.01 0.39 -0.20 0.58 -1.01 0.00 0.00 177.57 177.34 1rxc h VAL 246 N 0.62 1.27 -0.06 1.51 2.07 -1.31 -0.67 116.25 119.68 1rxc h VAL 246 Ca 0.10 -1.31 -0.15 0.00 0.82 0.00 0.00 66.70 66.16 1rxc h VAL 246 Cb 0.58 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1rxc h VAL 246 CO 0.04 0.44 -0.65 -0.08 0.02 0.00 0.00 177.57 177.34 1rxc h GLU 247 N 0.71 0.23 -0.37 1.57 4.57 -1.16 -2.48 114.58 117.65 1rxc h GLU 247 Ca 0.10 -0.17 -0.15 0.00 -1.18 0.00 0.00 59.36 57.96 1rxc h GLU 247 Cb 0.72 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1rxc h GLU 247 CO 0.06 0.80 -0.36 0.00 -1.18 0.00 0.00 179.01 178.33 1rxc h ALA 248 N 1.15 0.66 -0.79 2.92 0.00 -0.73 -3.02 119.26 119.46 1rxc h ALA 248 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1rxc h ALA 248 Cb 1.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1rxc h ALA 248 CO 0.10 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.47 1rxc h ALA 249 N 0.87 1.32 -0.54 0.00 0.00 -0.94 -2.12 119.26 117.84 1rxc h ALA 249 Ca 0.07 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rxc h ALA 249 Cb 0.93 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1rxc h ALA 249 CO 0.09 0.57 0.24 0.00 0.00 0.00 0.00 179.25 180.15 1rxc h ARG 250 N 1.09 0.44 0.00 0.00 3.08 -1.33 -1.91 114.38 115.75 1rxc h ARG 250 Ca 0.28 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1rxc h ARG 250 Cb -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1rxc h ARG 250 CO -0.05 0.29 0.00 0.54 -1.07 0.00 0.00 179.97 179.68 1rxc n ARG 251 N -4.94 0.07 0.00 0.04 1.74 -0.83 -3.14 116.66 109.61 1rxc n ARG 251 Ca 0.06 0.26 0.07 0.00 -0.77 0.00 0.00 57.85 57.47 1rxc n ARG 251 Cb 0.19 -1.63 -0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1rxc n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxc n LEU 252 N -1.76 1.54 0.00 0.55 4.77 -0.76 -5.06 117.00 116.28 1rxc n LEU 252 Ca 0.04 -0.77 0.05 0.00 -0.03 0.00 0.00 56.01 55.30 1rxc n LEU 252 Cb 0.23 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.63 1rxc n LEU 252 CO 0.19 0.30 0.52 0.18 -1.33 0.00 0.00 177.39 177.25