#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxc h ASP 5 N 0.00 0.00 -3.72 -3.46 3.32 -1.70 -3.46 116.42 107.40 1rxc h ASP 5 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1rxc h ASP 5 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1rxc h ASP 5 CO 0.00 0.63 -0.82 0.68 -1.72 0.00 0.00 179.24 178.01 1rxc s VAL 6 N -3.05 2.01 0.07 -1.35 -7.23 -1.23 -5.06 120.40 104.55 1rxc s VAL 6 Ca 0.02 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 1rxc s VAL 6 Cb 0.09 -1.86 -0.16 0.00 0.56 0.00 0.00 36.38 35.01 1rxc s VAL 6 CO 0.76 -0.11 1.28 0.15 -0.31 0.00 0.00 175.10 176.87 1rxc h PHE 7 N 3.61 0.81 0.05 2.82 3.57 -1.95 -3.34 116.94 122.51 1rxc h PHE 7 Ca -0.46 -0.34 -0.36 0.00 3.53 0.00 0.00 57.97 60.34 1rxc h PHE 7 Cb 1.19 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1rxc h PHE 7 CO 0.65 1.12 -2.08 0.72 -2.23 0.00 0.00 178.31 176.49 1rxc n HIS 8 N -4.17 0.66 0.22 0.41 8.25 -1.26 -4.59 115.22 114.74 1rxc n HIS 8 Ca -0.07 0.18 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 1rxc n HIS 8 Cb 0.61 -1.08 0.23 0.00 1.12 0.00 0.00 29.99 30.87 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 -0.33 0.00 -1.72 2.41 3.38 -1.93 -3.45 115.31 113.67 1rxc h LEU 9 Ca -0.50 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.24 1rxc h LEU 9 Cb 1.79 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.65 1rxc h LEU 9 CO -0.11 0.02 -0.52 0.61 0.09 0.00 0.00 178.44 178.54 1rxc n GLY 10 N 0.96 -0.10 3.14 0.83 0.00 -1.25 -4.68 105.19 104.08 1rxc n GLY 10 Ca 0.03 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1rxc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 11 N -4.98 2.25 0.33 0.99 1.43 -1.26 -4.74 118.68 112.69 1rxc s LEU 11 Ca 0.02 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1rxc s LEU 11 Cb -0.01 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 1rxc s LEU 11 CO 0.50 -0.07 0.35 0.42 0.23 0.00 0.00 176.35 177.77 1rxc s THR 12 N -1.19 3.73 0.30 5.49 -4.23 -1.26 -1.67 115.64 116.81 1rxc s THR 12 Ca -0.03 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1rxc s THR 12 Cb -0.09 -3.27 0.14 0.00 1.34 0.00 0.00 72.50 70.62 1rxc s THR 12 CO 0.02 -0.17 1.82 0.50 -0.54 0.00 0.00 174.62 176.25 1rxc h LYS 13 N 1.14 0.67 -0.02 3.99 3.64 -1.97 -2.81 116.57 121.21 1rxc h LYS 13 Ca -0.45 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 58.71 1rxc h LYS 13 Cb 1.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1rxc h LYS 13 CO 0.57 0.67 -0.29 -0.97 -2.27 0.00 0.00 179.45 177.16 1rxc h ASN 14 N 0.63 0.03 -0.64 4.20 -0.73 -1.94 -2.62 115.58 114.51 1rxc h ASN 14 Ca 0.13 -0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.36 1rxc h ASN 14 Cb 0.37 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.92 1rxc h ASN 14 CO 0.01 0.32 0.42 0.44 -0.37 0.00 0.00 177.43 178.25 1rxc h ASP 15 N 0.03 0.55 1.05 1.15 3.32 -1.89 -2.53 116.42 118.09 1rxc h ASP 15 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1rxc h ASP 15 Cb 0.52 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1rxc h ASP 15 CO 0.04 0.36 -0.34 -0.07 -1.72 0.00 0.00 179.24 177.51 1rxc h LEU 16 N 0.63 0.00 -1.09 1.55 4.07 -1.56 -3.48 115.31 115.43 1rxc h LEU 16 Ca 0.28 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.79 1rxc h LEU 16 Cb 0.28 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.04 1rxc h LEU 16 CO -0.08 0.34 -0.75 0.00 -1.08 0.00 0.00 178.44 176.86 1rxc n GLN 17 N -3.40 -6.00 -0.86 1.13 6.02 -0.96 -2.15 117.38 111.17 1rxc n GLN 17 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1rxc n GLN 17 Cb 0.53 -5.54 0.00 0.00 1.02 0.00 0.00 30.24 26.25 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 0.59 3.74 1.08 0.00 -1.26 -4.77 105.19 102.83 1rxc n GLY 18 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1rxc n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc n ALA 19 N 0.57 2.07 -0.18 4.61 0.00 -0.91 -4.93 120.51 121.74 1rxc n ALA 19 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1rxc n ALA 19 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1rxc n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxc n THR 20 N 1.16 0.03 -4.79 0.00 -2.24 -1.26 -4.24 114.28 102.94 1rxc n THR 20 Ca 0.06 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 61.15 1rxc n THR 20 Cb 0.37 1.16 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.03 1.81 -0.07 3.22 0.20 -1.26 -0.84 118.68 121.72 1rxc s LEU 21 Ca 0.00 -0.37 0.05 0.00 0.69 0.00 0.00 54.13 54.50 1rxc s LEU 21 Cb 0.00 -0.99 -0.00 0.00 -0.43 0.00 0.00 46.19 44.77 1rxc s LEU 21 CO 0.00 0.09 -0.21 0.00 -0.29 0.00 0.00 176.35 175.94 1rxc s ALA 22 N 0.42 1.88 -0.21 5.97 0.00 0.11 -1.26 121.76 128.67 1rxc s ALA 22 Ca -0.12 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 1rxc s ALA 22 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1rxc s ALA 22 CO 0.04 0.30 0.39 0.42 0.00 0.00 0.00 175.76 176.92 1rxc s ILE 23 N 0.15 5.20 -0.44 0.00 1.01 0.10 -0.89 121.20 126.32 1rxc s ILE 23 Ca -0.10 0.68 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1rxc s ILE 23 Cb -0.15 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.72 1rxc s ILE 23 CO 0.05 0.25 0.18 0.68 0.00 0.00 0.00 174.94 176.10 1rxc s VAL 24 N 1.36 2.26 0.94 2.92 -7.23 -0.51 -1.93 120.40 118.21 1rxc s VAL 24 Ca 0.18 -2.82 -0.15 0.00 -1.81 0.00 0.00 61.98 57.39 1rxc s VAL 24 Cb -0.15 -2.61 0.16 0.00 0.56 0.00 0.00 36.38 34.35 1rxc s VAL 24 CO 0.08 -0.74 1.23 -2.16 -0.31 0.00 0.00 175.10 173.20 1rxc s PRO 25 N 0.26 0.91 -0.15 4.82 0.04 -1.24 -3.17 135.00 136.47 1rxc s PRO 25 Ca 0.15 -0.11 -0.07 0.00 0.04 0.00 0.00 61.00 61.01 1rxc s PRO 25 Cb -0.23 -1.85 -0.24 0.00 0.04 0.00 0.00 34.50 32.22 1rxc s PRO 25 CO -0.04 -2.28 0.25 0.41 0.04 0.00 0.00 177.00 175.38 1rxc n GLY 26 N -3.10 -0.55 3.62 0.56 0.00 -1.26 -1.54 105.19 102.92 1rxc n GLY 26 Ca 0.12 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1rxc n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rxc s ASP 27 N -6.96 6.77 0.48 1.61 3.68 -1.26 -1.62 116.67 119.36 1rxc s ASP 27 Ca -0.25 0.78 0.20 0.00 2.13 0.00 0.00 52.55 55.42 1rxc s ASP 27 Cb 0.07 -2.47 1.22 0.00 -1.45 0.00 0.00 42.92 40.29 1rxc s ASP 27 CO 0.73 -0.78 1.95 1.55 0.13 0.00 0.00 175.17 178.74 1rxc h PRO 28 N 8.21 0.21 0.00 4.34 0.13 -1.90 -1.63 132.00 141.36 1rxc h PRO 28 Ca -0.23 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1rxc h PRO 28 Cb 1.08 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1rxc h PRO 28 CO 0.97 0.14 0.00 -0.25 -0.23 0.00 0.00 178.00 178.63 1rxc n ASP 29 N -4.43 0.57 0.02 1.44 8.00 -1.26 -2.62 116.55 118.27 1rxc n ASP 29 Ca 0.12 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.39 1rxc n ASP 29 Cb 0.58 -0.77 0.17 0.00 -0.02 0.00 0.00 41.12 41.09 1rxc n ASP 29 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rxc n ARG 30 N -2.14 0.11 -0.23 -1.24 5.12 -0.61 -4.46 116.66 113.22 1rxc n ARG 30 Ca 0.02 0.02 -0.05 0.00 -1.93 0.00 0.00 57.85 55.90 1rxc n ARG 30 Cb 0.20 -1.56 0.05 0.00 -1.16 0.00 0.00 32.46 29.99 1rxc n ARG 30 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1rxc h VAL 31 N 0.00 1.15 -0.22 1.55 2.07 -1.57 -2.65 116.25 116.59 1rxc h VAL 31 Ca 0.00 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1rxc h VAL 31 Cb 0.59 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1rxc h VAL 31 CO 0.00 0.16 -0.30 -0.08 0.02 0.00 0.00 177.57 177.36 1rxc h GLU 32 N 0.86 0.43 -0.33 1.57 4.81 -1.78 -1.96 114.58 118.17 1rxc h GLU 32 Ca 0.24 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1rxc h GLU 32 Cb -0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1rxc h GLU 32 CO -0.06 0.70 -0.17 0.87 -0.73 0.00 0.00 179.01 179.62 1rxc h LYS 33 N 0.38 0.70 -0.29 1.92 6.56 -1.74 -1.57 116.57 122.53 1rxc h LYS 33 Ca 0.05 -0.31 -0.17 0.00 -1.06 0.00 0.00 60.65 59.16 1rxc h LYS 33 Cb 0.72 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1rxc h LYS 33 CO 0.06 0.91 -0.50 0.82 -2.06 0.00 0.00 179.45 178.68 1rxc h ILE 34 N 0.48 1.28 -0.76 1.86 2.04 -1.40 -3.01 117.51 118.01 1rxc h ILE 34 Ca 0.07 -1.69 0.04 0.00 1.00 0.00 0.00 64.86 64.29 1rxc h ILE 34 Cb 0.70 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1rxc h ILE 34 CO 0.05 0.55 0.47 0.00 0.00 0.00 0.00 178.15 179.21 1rxc h ALA 35 N 0.81 1.01 0.00 1.87 0.00 -1.29 -2.88 119.26 118.77 1rxc h ALA 35 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rxc h ALA 35 Cb 1.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rxc h ALA 35 CO 0.11 0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.50 1rxc h ALA 36 N 1.34 1.23 0.00 0.00 0.00 -1.15 -1.73 119.26 118.95 1rxc h ALA 36 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rxc h ALA 36 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rxc h ALA 36 CO -0.14 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1rxc n LEU 37 N -3.52 0.00 -4.69 0.00 4.32 -1.09 -4.79 117.00 107.24 1rxc n LEU 37 Ca -0.02 0.34 -0.31 0.00 -0.02 0.00 0.00 56.01 56.00 1rxc n LEU 37 Cb 0.22 -0.34 -0.08 0.00 -1.62 0.00 0.00 43.42 41.60 1rxc n LEU 37 CO 0.28 -0.19 -0.25 -0.04 -1.22 0.00 0.00 177.39 175.98 1rxc s MET 38 N -2.68 2.10 0.43 3.23 -1.94 -0.65 -5.14 119.30 114.65 1rxc s MET 38 Ca 0.11 -2.32 -0.19 0.00 -1.71 0.00 0.00 55.69 51.58 1rxc s MET 38 Cb 0.09 -1.32 -0.10 0.00 2.01 0.00 0.00 34.83 35.50 1rxc s MET 38 CO 0.21 -0.35 0.93 -0.51 -0.01 0.00 0.00 175.02 175.28 1rxc s ASP 39 N -3.79 6.87 -1.28 3.03 -0.00 -0.33 -4.43 116.67 116.74 1rxc s ASP 39 Ca 0.13 1.61 -0.14 0.00 -0.00 0.00 0.00 52.55 54.16 1rxc s ASP 39 Cb 0.03 -2.51 0.00 0.00 -0.00 0.00 0.00 42.92 40.44 1rxc s ASP 39 CO 0.07 -0.37 0.58 0.29 -0.00 0.00 0.00 175.17 175.74 1rxc n LYS 40 N -0.74 -1.82 -2.37 8.23 5.02 -1.26 -0.49 118.16 124.72 1rxc n LYS 40 Ca 0.06 0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 56.29 1rxc n LYS 40 Cb 0.54 -3.97 -0.03 0.00 -0.02 0.00 0.00 35.03 31.54 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 -6.54 4.49 -0.08 1.97 0.04 -1.26 -4.40 135.00 129.22 1rxc s PRO 41 Ca 0.27 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1rxc s PRO 41 Cb -0.11 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1rxc s PRO 41 CO 0.90 -0.08 0.18 0.08 0.04 0.00 0.00 177.00 178.11 1rxc s VAL 42 N -0.10 -0.04 0.20 -0.36 1.01 -0.17 -5.01 120.40 115.92 1rxc s VAL 42 Ca 0.53 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1rxc s VAL 42 Cb -0.33 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 1rxc s VAL 42 CO 0.37 0.06 1.11 -0.75 0.00 0.00 0.00 175.10 175.89 1rxc s LYS 43 N 1.01 4.59 -0.20 2.72 2.20 -1.26 -0.57 119.74 128.23 1rxc s LYS 43 Ca -0.08 1.75 -0.08 0.00 -0.36 0.00 0.00 55.97 57.20 1rxc s LYS 43 Cb -0.09 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 1rxc s LYS 43 CO -0.06 0.09 -0.24 1.28 -0.36 0.00 0.00 175.35 176.06 1rxc n LEU 44 N 2.18 1.79 -3.83 5.43 4.77 -0.26 -4.88 117.00 122.21 1rxc n LEU 44 Ca 0.02 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.11 1rxc n LEU 44 Cb 0.46 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1rxc n LEU 44 CO 0.54 0.52 0.56 0.00 -1.33 0.00 0.00 177.39 177.68 1rxc s ALA 45 N -2.38 -1.30 -0.23 -1.18 0.00 -1.09 -5.01 121.76 110.57 1rxc s ALA 45 Ca -0.28 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1rxc s ALA 45 Cb 0.10 0.77 0.10 0.00 0.00 0.00 0.00 23.12 24.09 1rxc s ALA 45 CO 0.38 -1.04 0.50 0.45 0.00 0.00 0.00 175.76 176.05 1rxc s SER 46 N -2.96 -0.56 -0.14 0.00 0.15 -1.26 -1.92 113.70 107.01 1rxc s SER 46 Ca 0.12 1.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.89 1rxc s SER 46 Cb -0.04 1.66 0.06 0.00 -1.71 0.00 0.00 66.02 65.99 1rxc s SER 46 CO 0.06 -0.23 0.33 -1.00 1.20 0.00 0.00 173.24 173.60 1rxc s HIS 47 N 2.69 -0.48 0.00 3.44 3.76 -0.81 -5.01 115.29 118.88 1rxc s HIS 47 Ca -0.03 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 1rxc s HIS 47 Cb -0.12 0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.72 1rxc s HIS 47 CO -0.15 -0.31 0.00 0.54 -0.85 0.00 0.00 174.74 173.98 1rxc n ARG 48 N 4.41 0.00 -0.20 1.40 1.74 -1.26 -1.04 116.66 121.71 1rxc n ARG 48 Ca -0.22 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1rxc n ARG 48 Cb 0.53 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.24 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 2.26 -3.40 5.56 0.00 -1.26 -4.79 120.64 133.00 1rxc n GLU 49 Ca 0.00 -1.92 -0.44 0.00 0.00 0.00 0.00 57.16 54.80 1rxc n GLU 49 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 31.44 29.92 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 -1.47 3.38 -0.21 -1.84 0.40 -0.20 -4.16 117.98 113.87 1rxc s PHE 50 Ca 0.37 -1.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.00 1rxc s PHE 50 Cb 0.20 -3.69 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 1rxc s PHE 50 CO 0.28 -1.00 0.09 0.99 0.70 0.00 0.00 175.22 176.28 1rxc s THR 51 N 1.27 4.83 -0.13 0.64 2.01 -1.26 -1.93 115.64 121.07 1rxc s THR 51 Ca 0.06 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.08 1rxc s THR 51 Cb -0.26 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1rxc s THR 51 CO -0.00 0.40 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.25 1rxc s THR 52 N 0.81 1.85 0.14 -0.82 2.01 -0.81 -1.90 115.64 116.92 1rxc s THR 52 Ca 0.05 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1rxc s THR 52 Cb -0.13 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1rxc s THR 52 CO 0.02 0.51 -0.15 0.26 -0.69 0.00 0.00 174.62 174.57 1rxc s TRP 53 N 0.85 2.58 -0.00 4.92 0.52 0.22 -1.10 118.94 126.92 1rxc s TRP 53 Ca -0.08 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1rxc s TRP 53 Cb -0.15 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1rxc s TRP 53 CO -0.01 0.44 0.05 0.50 0.02 0.00 0.00 176.95 177.95 1rxc s ARG 54 N -2.41 2.97 0.09 4.98 3.52 0.26 -1.02 118.95 127.35 1rxc s ARG 54 Ca 0.21 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1rxc s ARG 54 Cb -0.10 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1rxc s ARG 54 CO 0.12 0.64 0.09 0.00 -0.81 0.00 0.00 175.30 175.34 1rxc n ALA 55 N 1.27 0.12 -3.56 6.12 0.00 -0.10 -1.00 120.51 123.37 1rxc n ALA 55 Ca -0.14 -0.49 -0.17 0.00 0.00 0.00 0.00 53.44 52.65 1rxc n ALA 55 Cb 0.53 0.39 -0.16 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.32 0.40 -0.14 0.00 2.12 0.35 -0.97 118.70 118.15 1rxc s GLU 56 Ca 0.10 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 1rxc s GLU 56 Cb 0.00 -0.52 0.05 0.00 0.26 0.00 0.00 34.13 33.92 1rxc s GLU 56 CO 0.07 -0.09 0.02 -1.17 -0.54 0.00 0.00 175.26 173.55 1rxc s LEU 57 N 0.81 0.88 -1.53 2.70 2.96 0.18 -1.18 118.68 123.50 1rxc s LEU 57 Ca -0.09 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 1rxc s LEU 57 Cb -0.12 -0.51 0.08 0.00 0.50 0.00 0.00 46.19 46.13 1rxc s LEU 57 CO -0.01 -0.26 0.70 0.47 -1.32 0.00 0.00 176.35 175.93 1rxc n ASP 58 N 5.10 -2.46 0.00 3.68 8.00 -1.26 -1.99 116.55 127.62 1rxc n ASP 58 Ca -0.08 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1rxc n ASP 58 Cb 0.49 -3.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 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 -1.68 1.42 3.49 0.44 0.00 -1.26 -5.03 105.19 102.57 1rxc n GLY 59 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.19 2.46 0.16 1.61 -0.14 -0.84 -5.07 119.74 117.73 1rxc s LYS 60 Ca 0.00 -0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.58 1rxc s LYS 60 Cb 0.00 -2.37 -0.07 0.00 -1.68 0.00 0.00 37.83 33.70 1rxc s LYS 60 CO 0.00 0.61 1.15 -1.25 -0.76 0.00 0.00 175.35 175.11 1rxc s PRO 61 N -0.88 4.53 0.03 -1.68 0.04 -1.26 -0.65 135.00 135.12 1rxc s PRO 61 Ca 0.12 1.78 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1rxc s PRO 61 Cb -0.11 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1rxc s PRO 61 CO 0.02 -0.04 -0.11 0.08 0.04 0.00 0.00 177.00 176.99 1rxc s VAL 62 N 0.05 0.81 -0.02 -0.36 1.01 -0.14 -4.33 120.40 117.43 1rxc s VAL 62 Ca 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1rxc s VAL 62 Cb -0.31 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1rxc s VAL 62 CO 0.35 -0.04 0.07 -0.63 0.00 0.00 0.00 175.10 174.84 1rxc s ILE 63 N -0.77 4.67 -0.12 2.22 -1.09 -0.39 -0.93 121.20 124.79 1rxc s ILE 63 Ca -0.01 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 1rxc s ILE 63 Cb -0.07 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1rxc s ILE 63 CO 0.01 0.41 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.27 1rxc s VAL 64 N -1.13 1.65 -0.15 2.92 1.01 -0.19 -0.72 120.40 123.79 1rxc s VAL 64 Ca 0.21 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1rxc s VAL 64 Cb -0.12 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 34.83 1rxc s VAL 64 CO 0.11 0.47 0.33 0.00 0.00 0.00 0.00 175.10 176.02 1rxc s SER 66 N 2.06 7.45 -0.02 0.00 1.04 -0.80 -3.71 113.70 119.72 1rxc s SER 66 Ca -0.04 1.79 0.13 0.00 0.48 0.00 0.00 55.95 58.31 1rxc s SER 66 Cb -0.11 -2.56 -0.22 0.00 0.10 0.00 0.00 66.02 63.24 1rxc s SER 66 CO -0.11 0.11 0.74 0.71 0.98 0.00 0.00 173.24 175.67 1rxc h THR 67 N 3.03 0.88 0.00 2.02 1.35 -1.40 -3.39 112.91 115.41 1rxc h THR 67 Ca -0.46 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1rxc h THR 67 Cb 1.20 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1rxc h THR 67 CO 0.66 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 1rxc n GLY 68 N 1.52 -2.78 3.72 5.82 0.00 -0.64 -3.48 105.19 109.35 1rxc n GLY 68 Ca -0.15 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.87 4.97 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.76 1rxc s ILE 69 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1rxc s ILE 69 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1rxc s ILE 69 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1rxc n GLY 70 N 2.97 2.32 0.28 6.18 0.00 -1.26 -4.67 105.19 111.01 1rxc n GLY 70 Ca 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 1rxc n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxc h GLY 71 N 0.00 1.05 0.21 -0.02 0.00 -1.86 -2.66 103.07 99.78 1rxc h GLY 71 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 47.33 46.74 1rxc h GLY 71 CO 0.00 0.59 -0.34 -2.55 0.00 0.00 0.00 176.54 174.24 1rxc h PRO 72 N 0.89 -0.45 0.00 4.80 0.11 -1.94 0.87 132.00 136.30 1rxc h PRO 72 Ca 0.20 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 1rxc h PRO 72 Cb 0.31 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1rxc h PRO 72 CO -0.00 -0.30 -0.54 0.66 -0.21 0.00 0.00 178.00 177.61 1rxc h SER 73 N -0.46 0.00 -0.67 -2.05 4.64 -1.81 -2.70 113.55 110.50 1rxc h SER 73 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1rxc h SER 73 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1rxc h SER 73 CO -0.31 0.54 0.41 0.74 -0.87 0.00 0.00 176.83 177.34 1rxc h THR 74 N 0.00 1.19 0.00 2.95 2.02 -1.08 -2.09 112.91 115.90 1rxc h THR 74 Ca -0.01 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1rxc h THR 74 Cb 0.98 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1rxc h THR 74 CO 0.07 0.19 -0.22 0.77 0.37 0.00 0.00 175.52 176.70 1rxc h SER 75 N 0.91 0.00 0.00 4.18 4.64 -0.52 -0.91 113.55 121.86 1rxc h SER 75 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1rxc h SER 75 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1rxc h SER 75 CO -0.05 0.22 -0.00 0.40 -0.87 0.00 0.00 176.83 176.53 1rxc h ILE 76 N 0.00 1.63 -0.39 0.95 2.04 -1.30 -2.85 117.51 117.59 1rxc h ILE 76 Ca -0.00 -1.91 0.04 0.00 1.00 0.00 0.00 64.86 63.98 1rxc h ILE 76 Cb 0.53 2.93 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 1rxc h ILE 76 CO 0.03 0.49 0.16 0.00 0.00 0.00 0.00 178.15 178.83 1rxc h ALA 77 N 0.16 0.47 -0.34 1.87 0.00 -1.02 -1.74 119.26 118.66 1rxc h ALA 77 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1rxc h ALA 77 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rxc h ALA 77 CO 0.00 -0.22 0.05 0.28 0.00 0.00 0.00 179.25 179.36 1rxc h VAL 78 N 0.34 1.24 -0.24 0.00 2.07 -1.30 -1.03 116.25 117.33 1rxc h VAL 78 Ca 0.18 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1rxc h VAL 78 Cb 0.13 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1rxc h VAL 78 CO -0.16 0.28 0.14 -0.08 0.02 0.00 0.00 177.57 177.77 1rxc h GLU 79 N 0.40 0.33 -0.04 1.57 4.57 -1.37 -0.71 114.58 119.32 1rxc h GLU 79 Ca 0.10 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.07 1rxc h GLU 79 Cb 0.37 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1rxc h GLU 79 CO 0.01 0.27 -0.76 0.93 -1.18 0.00 0.00 179.01 178.29 1rxc h GLU 80 N 0.29 0.29 -0.64 1.92 5.08 -1.24 -1.46 114.58 118.82 1rxc h GLU 80 Ca 0.09 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1rxc h GLU 80 Cb 0.03 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1rxc h GLU 80 CO -0.02 0.92 0.15 -0.07 -1.00 0.00 0.00 179.01 178.99 1rxc h LEU 81 N 0.19 0.95 -0.60 1.33 3.38 -1.12 -2.70 115.31 116.74 1rxc h LEU 81 Ca -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1rxc h LEU 81 Cb 1.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1rxc h LEU 81 CO 0.12 0.92 0.20 0.00 0.09 0.00 0.00 178.44 179.78 1rxc h ALA 82 N 1.19 0.79 -0.80 1.53 0.00 -0.81 -1.80 119.26 119.36 1rxc h ALA 82 Ca 0.20 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1rxc h ALA 82 Cb 0.35 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1rxc h ALA 82 CO 0.00 0.45 0.52 1.96 0.00 0.00 0.00 179.25 182.18 1rxc h GLN 83 N 0.86 0.78 -0.00 0.00 4.20 -1.14 -1.65 115.11 118.15 1rxc h GLN 83 Ca 0.20 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1rxc h GLN 83 Cb 0.27 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1rxc h GLN 83 CO -0.01 0.51 -0.04 1.28 -0.67 0.00 0.00 178.83 179.91 1rxc n LEU 84 N -4.50 0.50 0.00 1.46 4.77 -0.81 -4.90 117.00 113.52 1rxc n LEU 84 Ca 0.13 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1rxc n LEU 84 Cb 0.28 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1rxc n LEU 84 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1rxc n GLY 85 N 1.16 1.33 3.72 -0.72 0.00 -0.62 -4.84 105.19 105.21 1rxc n GLY 85 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1rxc n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 86 N -2.00 4.86 0.00 -0.61 -1.09 -0.76 -4.39 121.20 117.21 1rxc s ILE 86 Ca 0.00 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 1rxc s ILE 86 Cb 0.00 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1rxc s ILE 86 CO 0.00 0.25 0.00 0.54 -1.23 0.00 0.00 174.94 174.50 1rxc n ARG 87 N 3.51 5.85 -4.30 2.79 5.12 -0.02 -4.23 116.66 125.39 1rxc n ARG 87 Ca 0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.69 1rxc n ARG 87 Cb 0.51 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 31.15 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 -0.97 1.00 -0.13 0.55 2.01 -0.68 -1.41 115.64 116.01 1rxc s THR 88 Ca 0.00 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1rxc s THR 88 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1rxc s THR 88 CO 0.00 0.34 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.70 1rxc s PHE 89 N 1.05 2.67 -0.31 4.92 0.08 0.26 -0.71 117.98 125.94 1rxc s PHE 89 Ca -0.08 -1.24 -0.04 0.00 0.12 0.00 0.00 56.93 55.70 1rxc s PHE 89 Cb -0.15 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1rxc s PHE 89 CO -0.01 -0.55 0.04 -0.51 -0.10 0.00 0.00 175.22 174.09 1rxc s LEU 90 N 0.72 3.95 0.07 -0.37 1.43 -0.07 -1.91 118.68 122.50 1rxc s LEU 90 Ca -0.09 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 51.60 1rxc s LEU 90 Cb -0.16 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1rxc s LEU 90 CO 0.01 -0.26 1.09 -0.60 0.23 0.00 0.00 176.35 176.81 1rxc s ARG 91 N 1.34 4.53 -0.05 1.70 6.06 0.12 -1.42 118.95 131.24 1rxc s ARG 91 Ca -0.02 1.62 0.04 0.00 -2.50 0.00 0.00 55.73 54.86 1rxc s ARG 91 Cb -0.19 -3.37 0.00 0.00 0.06 0.00 0.00 34.95 31.45 1rxc s ARG 91 CO 0.00 -0.09 -0.15 -1.50 -2.50 0.00 0.00 175.30 171.07 1rxc s ILE 92 N 0.71 1.28 0.39 4.11 1.10 -1.19 -1.97 121.20 125.63 1rxc s ILE 92 Ca 0.54 -0.62 -0.14 0.00 -0.51 0.00 0.00 60.65 59.91 1rxc s ILE 92 Cb -0.26 -1.12 0.06 0.00 0.15 0.00 0.00 42.46 41.29 1rxc s ILE 92 CO 0.30 0.38 0.77 0.61 -2.11 0.00 0.00 174.94 174.88 1rxc n GLY 93 N 3.29 1.02 3.59 1.50 0.00 -1.06 -4.24 105.19 109.28 1rxc n GLY 93 Ca -0.19 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 1rxc n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxc s THR 94 N -2.13 2.99 0.36 2.61 -4.23 -1.26 -1.74 115.64 112.24 1rxc s THR 94 Ca 0.16 -2.07 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 1rxc s THR 94 Cb -0.05 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.17 1rxc s THR 94 CO 0.12 -0.35 0.78 0.28 -0.54 0.00 0.00 174.62 174.91 1rxc s THR 95 N -2.42 0.00 -0.13 3.99 -1.32 -0.30 -4.89 115.64 110.58 1rxc s THR 95 Ca 0.32 -1.00 -0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1rxc s THR 95 Cb -0.05 -2.69 0.02 0.00 -1.51 0.00 0.00 72.50 68.28 1rxc s THR 95 CO 0.18 0.00 -0.10 -0.83 -2.21 0.00 0.00 174.62 171.66 1rxc s GLY 96 N -3.04 0.94 0.75 6.08 0.00 -1.26 -1.68 107.32 109.11 1rxc s GLY 96 Ca 0.14 -0.68 -0.11 0.00 0.00 0.00 0.00 44.72 44.08 1rxc s GLY 96 CO 0.10 0.71 1.08 0.00 0.00 0.00 0.00 173.10 175.00 1rxc s ALA 97 N 1.63 2.36 -0.06 3.20 0.00 -0.91 -3.49 121.76 124.49 1rxc s ALA 97 Ca 0.05 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.27 1rxc s ALA 97 Cb -0.13 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 19.90 1rxc s ALA 97 CO -0.09 -1.62 1.04 0.44 0.00 0.00 0.00 175.76 175.53 1rxc n ILE 98 N -3.41 1.27 -4.76 0.00 -5.35 -0.14 -2.44 119.36 104.53 1rxc n ILE 98 Ca 0.08 -1.45 -0.33 0.00 -0.27 0.00 0.00 62.75 60.78 1rxc n ILE 98 Cb 0.53 0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 38.48 1rxc n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxc s GLN 99 N -1.75 2.87 0.51 6.28 -1.52 -1.25 -4.84 119.66 119.96 1rxc s GLN 99 Ca 0.16 -0.64 0.15 0.00 -1.95 0.00 0.00 55.36 53.08 1rxc s GLN 99 Cb 0.14 -2.54 1.22 0.00 -0.22 0.00 0.00 33.01 31.61 1rxc s GLN 99 CO 0.01 0.51 2.12 -1.35 -0.25 0.00 0.00 175.29 176.34 1rxc h PRO 100 N 5.75 0.08 0.00 2.91 0.11 -1.95 -2.96 132.00 135.93 1rxc h PRO 100 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1rxc h PRO 100 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rxc h PRO 100 CO 0.53 0.05 -0.21 -2.39 -0.21 0.00 0.00 178.00 175.78 1rxc n HIS 101 N -4.52 0.76 -2.85 0.65 1.44 -1.26 -4.73 115.22 104.71 1rxc n HIS 101 Ca -0.01 0.22 -0.42 0.00 -2.01 0.00 0.00 57.72 55.50 1rxc n HIS 101 Cb 0.13 -0.82 -0.04 0.00 0.12 0.00 0.00 29.99 29.38 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 -3.11 4.76 0.25 0.61 1.01 -1.12 -5.05 121.20 118.55 1rxc s ILE 102 Ca 0.09 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.28 1rxc s ILE 102 Cb 0.13 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1rxc s ILE 102 CO 0.63 -0.20 0.40 0.20 0.00 0.00 0.00 174.94 175.98 1rxc s ASN 103 N 1.46 6.33 0.33 3.58 0.02 -1.26 -4.89 114.94 120.50 1rxc s ASN 103 Ca 0.36 0.23 -0.29 0.00 -1.02 0.00 0.00 52.86 52.14 1rxc s ASN 103 Cb -0.14 -1.93 -0.11 0.00 0.02 0.00 0.00 41.25 39.08 1rxc s ASN 103 CO 0.10 -0.11 1.51 -0.69 0.02 0.00 0.00 177.10 177.93 1rxc s VAL 104 N -2.02 2.17 0.00 1.60 1.01 -1.26 -2.27 120.40 119.64 1rxc s VAL 104 Ca 0.36 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1rxc s VAL 104 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1rxc s VAL 104 CO 0.31 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1rxc n GLY 105 N 1.32 1.92 3.88 4.51 0.00 -0.46 -5.02 105.19 111.35 1rxc n GLY 105 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.47 5.86 -0.09 1.61 -0.00 -0.96 -4.74 116.67 116.88 1rxc s ASP 106 Ca 0.00 1.24 0.03 0.00 -0.00 0.00 0.00 52.55 53.83 1rxc s ASP 106 Cb 0.00 -2.19 -0.01 0.00 -0.00 0.00 0.00 42.92 40.72 1rxc s ASP 106 CO 0.00 -1.07 -0.20 -0.69 -0.00 0.00 0.00 175.17 173.20 1rxc s VAL 107 N -3.24 2.46 -0.25 -1.27 1.01 -0.47 -1.17 120.40 117.47 1rxc s VAL 107 Ca 0.56 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1rxc s VAL 107 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1rxc s VAL 107 CO 0.52 0.56 0.04 -0.76 0.00 0.00 0.00 175.10 175.46 1rxc s LEU 108 N 0.06 3.33 -0.20 3.92 1.43 0.78 -1.08 118.68 126.92 1rxc s LEU 108 Ca -0.08 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1rxc s LEU 108 Cb -0.15 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1rxc s LEU 108 CO 0.05 -0.05 0.10 -0.69 0.23 0.00 0.00 176.35 175.99 1rxc s VAL 109 N 1.56 5.05 -0.33 -1.59 1.01 -0.10 -1.07 120.40 124.92 1rxc s VAL 109 Ca 0.06 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1rxc s VAL 109 Cb -0.15 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1rxc s VAL 109 CO 0.01 0.43 0.38 -0.89 0.00 0.00 0.00 175.10 175.03 1rxc s THR 110 N 0.55 5.15 0.15 3.92 2.01 -0.94 -2.26 115.64 124.24 1rxc s THR 110 Ca 0.05 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 1rxc s THR 110 Cb -0.12 -3.82 -0.13 0.00 0.01 0.00 0.00 72.50 68.44 1rxc s THR 110 CO 0.00 -0.07 1.39 0.71 -0.69 0.00 0.00 174.62 175.96 1rxc h THR 111 N 5.53 1.37 -2.13 -0.82 1.35 -1.62 -3.41 112.91 113.17 1rxc h THR 111 Ca -0.30 -2.19 0.18 0.00 -0.55 0.00 0.00 66.41 63.55 1rxc h THR 111 Cb 1.14 2.16 -0.12 0.00 -1.73 0.00 0.00 68.15 69.60 1rxc h THR 111 CO 0.69 0.66 0.56 0.00 -0.25 0.00 0.00 175.52 177.18 1rxc s ALA 112 N -3.56 -1.83 0.03 6.62 0.00 -1.25 -1.15 121.76 120.62 1rxc s ALA 112 Ca -0.06 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1rxc s ALA 112 Cb 0.10 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1rxc s ALA 112 CO 0.86 -0.86 -0.20 -1.12 0.00 0.00 0.00 175.76 174.43 1rxc s SER 113 N -2.69 2.38 -0.00 0.00 0.01 -0.43 -1.62 113.70 111.35 1rxc s SER 113 Ca 0.09 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1rxc s SER 113 Cb -0.00 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1rxc s SER 113 CO -0.04 0.17 1.34 -0.69 0.41 0.00 0.00 173.24 174.43 1rxc s VAL 114 N -0.72 3.84 -1.03 3.43 1.01 0.27 -4.31 120.40 122.89 1rxc s VAL 114 Ca 0.07 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 1rxc s VAL 114 Cb -0.08 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.66 1rxc s VAL 114 CO 0.01 0.01 1.22 -0.13 0.00 0.00 0.00 175.10 176.21 1rxc s ARG 115 N 2.18 3.81 -0.55 2.72 0.52 -1.26 -1.44 118.95 124.93 1rxc s ARG 115 Ca 0.62 -2.17 0.01 0.00 -0.52 0.00 0.00 55.73 53.67 1rxc s ARG 115 Cb -0.30 -4.93 0.55 0.00 0.52 0.00 0.00 34.95 30.79 1rxc s ARG 115 CO 0.26 -1.72 1.93 1.28 0.02 0.00 0.00 175.30 177.07 1rxc n LEU 116 N 5.89 7.04 -4.63 2.53 4.77 -0.46 -4.96 117.00 127.18 1rxc n LEU 116 Ca 0.28 -4.00 -0.29 0.00 -0.03 0.00 0.00 56.01 51.97 1rxc n LEU 116 Cb 0.46 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1rxc n LEU 116 CO 0.53 1.31 -0.23 1.51 -1.33 0.00 0.00 177.39 179.18 1rxc s ASP 117 N -1.71 3.44 -0.16 -1.43 -4.77 -1.23 -2.12 116.67 108.69 1rxc s ASP 117 Ca 0.60 -1.63 0.10 0.00 -3.30 0.00 0.00 52.55 48.32 1rxc s ASP 117 Cb 0.49 0.42 -0.17 0.00 -1.09 0.00 0.00 42.92 42.58 1rxc s ASP 117 CO 0.04 -0.85 -0.01 0.61 0.70 0.00 0.00 175.17 175.66 1rxc n GLY 118 N -1.06 -0.59 0.21 2.12 0.00 -1.26 -4.73 105.19 99.87 1rxc n GLY 118 Ca -0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 0.52 0.67 -0.84 4.61 0.00 -1.98 -2.91 119.26 119.32 1rxc h ALA 119 Ca -0.41 -0.53 0.15 0.00 0.00 0.00 0.00 54.91 54.12 1rxc h ALA 119 Cb 1.84 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 1rxc h ALA 119 CO -0.00 0.70 0.43 0.66 0.00 0.00 0.00 179.25 181.03 1rxc h SER 120 N 0.41 0.51 -0.03 0.00 4.64 -1.85 -0.12 113.55 117.11 1rxc h SER 120 Ca -0.00 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1rxc h SER 120 Cb 1.14 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1rxc h SER 120 CO 0.11 0.21 0.04 -0.07 -0.87 0.00 0.00 176.83 176.25 1rxc h LEU 121 N 0.61 0.00 -0.30 5.97 3.38 -1.63 -0.09 115.31 123.25 1rxc h LEU 121 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1rxc h LEU 121 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rxc h LEU 121 CO -0.37 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.57 1rxc n HIS 122 N -3.61 0.58 -0.04 1.13 8.25 -0.06 -3.60 115.22 117.87 1rxc n HIS 122 Ca -0.02 0.20 -0.03 0.00 -0.26 0.00 0.00 57.72 57.61 1rxc n HIS 122 Cb 0.12 -0.83 -0.08 0.00 1.12 0.00 0.00 29.99 30.32 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 -2.01 0.00 -3.55 4.41 3.72 -0.11 -5.08 117.46 114.84 1rxc n PHE 123 Ca 0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 1rxc n PHE 123 Cb 0.28 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 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 -2.34 -1.81 0.88 4.37 0.00 -0.79 -5.00 121.76 117.07 1rxc s ALA 124 Ca -0.05 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 1rxc s ALA 124 Cb 0.04 -0.39 0.12 0.00 0.00 0.00 0.00 23.12 22.89 1rxc s ALA 124 CO 0.41 -0.35 1.11 -1.25 0.00 0.00 0.00 175.76 175.69 1rxc s PRO 125 N -0.87 1.35 0.47 0.00 0.04 -1.26 -3.93 135.00 130.79 1rxc s PRO 125 Ca -0.07 1.24 0.12 0.00 0.04 0.00 0.00 61.00 62.33 1rxc s PRO 125 Cb -0.01 -1.79 1.09 0.00 0.04 0.00 0.00 34.50 33.83 1rxc s PRO 125 CO 0.06 -2.30 2.10 1.25 0.04 0.00 0.00 177.00 178.15 1rxc h LEU 126 N -1.61 0.21 -2.47 -3.56 5.85 -1.95 -1.43 115.31 110.36 1rxc h LEU 126 Ca -0.46 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1rxc h LEU 126 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1rxc h LEU 126 CO 0.48 0.15 -0.02 1.05 -0.34 0.00 0.00 178.44 179.76 1rxc h GLU 127 N 0.25 0.00 -6.59 1.25 9.09 -2.04 -3.42 114.58 113.12 1rxc h GLU 127 Ca 0.08 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.96 1rxc h GLU 127 Cb 0.03 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.16 1rxc h GLU 127 CO -0.02 0.02 0.74 0.12 0.05 0.00 0.00 179.01 179.92 1rxc s PHE 128 N -4.50 3.21 0.10 2.06 5.36 -0.54 -4.98 117.98 118.68 1rxc s PHE 128 Ca -0.05 0.96 -0.30 0.00 -0.96 0.00 0.00 56.93 56.58 1rxc s PHE 128 Cb 0.15 -3.71 -0.06 0.00 -0.34 0.00 0.00 43.02 39.06 1rxc s PHE 128 CO 0.53 -2.46 1.05 -1.25 -1.46 0.00 0.00 175.22 171.63 1rxc s PRO 129 N 0.82 4.59 -1.34 10.12 0.04 -1.26 -4.93 135.00 143.04 1rxc s PRO 129 Ca 0.64 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 1rxc s PRO 129 Cb -0.38 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 1rxc s PRO 129 CO 0.32 0.03 2.24 0.00 0.04 0.00 0.00 177.00 179.64 1rxc n ALA 130 N 3.12 5.32 -2.72 8.56 0.00 -1.26 -4.77 120.51 128.77 1rxc n ALA 130 Ca 0.04 -3.70 -0.34 0.00 0.00 0.00 0.00 53.44 49.44 1rxc n ALA 130 Cb 0.48 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.35 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 3.43 5.25 0.46 0.00 0.11 -1.26 -1.31 120.40 127.07 1rxc s VAL 131 Ca 0.51 0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.61 1rxc s VAL 131 Cb 0.14 -3.59 -0.08 0.00 -1.53 0.00 0.00 36.38 31.32 1rxc s VAL 131 CO -0.05 0.32 0.89 0.00 -3.33 0.00 0.00 175.10 172.93 1rxc s ALA 132 N -1.36 3.18 0.26 1.54 0.00 -0.30 -4.70 121.76 120.38 1rxc s ALA 132 Ca 0.30 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1rxc s ALA 132 Cb -0.13 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1rxc s ALA 132 CO 0.18 -0.08 1.37 0.34 0.00 0.00 0.00 175.76 177.57 1rxc s ASP 133 N -2.95 6.74 0.17 0.00 -1.08 -0.59 -4.93 116.67 114.02 1rxc s ASP 133 Ca 0.56 2.62 -0.10 0.00 -0.52 0.00 0.00 52.55 55.11 1rxc s ASP 133 Cb -0.10 -2.63 0.05 0.00 -1.46 0.00 0.00 42.92 38.78 1rxc s ASP 133 CO 0.28 -0.62 1.63 0.15 0.52 0.00 0.00 175.17 177.13 1rxc h PHE 134 N 4.60 1.13 -0.38 -5.34 3.04 -1.97 -1.19 116.94 116.83 1rxc h PHE 134 Ca -0.47 -0.20 -0.02 0.00 3.98 0.00 0.00 57.97 61.27 1rxc h PHE 134 Cb 1.22 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 1rxc h PHE 134 CO 0.59 1.01 0.17 0.93 -2.02 0.00 0.00 178.31 178.99 1rxc h GLU 135 N 0.92 0.57 -0.29 1.11 5.08 -1.96 -1.01 114.58 118.99 1rxc h GLU 135 Ca 0.16 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1rxc h GLU 135 Cb 0.57 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1rxc h GLU 135 CO 0.03 0.52 0.06 0.00 -1.00 0.00 0.00 179.01 178.63 1rxc h THR 137 N 0.30 1.25 -0.12 0.00 2.02 -1.16 -1.11 112.91 114.10 1rxc h THR 137 Ca 0.09 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1rxc h THR 137 Cb 0.30 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1rxc h THR 137 CO 0.00 0.24 0.02 0.74 0.37 0.00 0.00 175.52 176.90 1rxc h THR 138 N 1.33 1.21 -0.80 3.16 2.02 -0.99 -1.82 112.91 117.03 1rxc h THR 138 Ca 0.36 -0.67 0.07 0.00 0.77 0.00 0.00 66.41 66.94 1rxc h THR 138 Cb -0.15 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 1rxc h THR 138 CO -0.08 0.20 0.47 0.00 0.37 0.00 0.00 175.52 176.48 1rxc h ALA 139 N 0.80 1.10 -0.32 6.16 0.00 -0.95 -0.28 119.26 125.77 1rxc h ALA 139 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rxc h ALA 139 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rxc h ALA 139 CO 0.00 0.17 0.10 -0.07 0.00 0.00 0.00 179.25 179.45 1rxc h LEU 140 N 0.84 0.47 -0.13 0.00 3.38 -1.08 0.62 115.31 119.41 1rxc h LEU 140 Ca 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1rxc h LEU 140 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1rxc h LEU 140 CO -0.19 0.54 0.06 0.58 0.09 0.00 0.00 178.44 179.51 1rxc h VAL 141 N 0.36 1.15 -0.34 1.22 2.07 -1.03 -1.08 116.25 118.60 1rxc h VAL 141 Ca 0.10 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1rxc h VAL 141 Cb 0.24 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1rxc h VAL 141 CO -0.00 0.14 0.10 -0.33 0.02 0.00 0.00 177.57 177.49 1rxc h GLU 142 N 0.06 0.48 -0.23 1.57 5.08 -1.04 -1.65 114.58 118.86 1rxc h GLU 142 Ca 0.05 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1rxc h GLU 142 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rxc h GLU 142 CO -0.00 0.43 -0.10 0.00 -1.00 0.00 0.00 179.01 178.34 1rxc h ALA 143 N 1.64 0.32 -0.72 3.43 0.00 -0.55 -1.97 119.26 121.41 1rxc h ALA 143 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1rxc h ALA 143 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1rxc h ALA 143 CO -0.01 0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.58 1rxc h ALA 144 N 0.72 0.94 -0.72 0.00 0.00 -1.02 -2.47 119.26 116.71 1rxc h ALA 144 Ca 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1rxc h ALA 144 Cb 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1rxc h ALA 144 CO 0.03 0.66 0.31 -0.22 0.00 0.00 0.00 179.25 180.03 1rxc h LYS 145 N 1.08 1.06 0.00 0.00 3.64 -1.27 -1.33 116.57 119.75 1rxc h LYS 145 Ca 0.23 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1rxc h LYS 145 Cb 0.36 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1rxc h LYS 145 CO 0.00 0.84 -0.17 0.66 -2.27 0.00 0.00 179.45 178.52 1rxc h SER 146 N 1.04 0.00 0.12 4.20 4.64 -0.90 -2.14 113.55 120.52 1rxc h SER 146 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1rxc h SER 146 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1rxc h SER 146 CO -0.02 0.17 -0.70 2.30 -0.87 0.00 0.00 176.83 177.70 1rxc n ILE 147 N -3.22 0.00 -0.42 0.95 -5.35 -1.05 -5.00 119.36 105.27 1rxc n ILE 147 Ca 0.02 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1rxc n ILE 147 Cb 0.48 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 0.75 3.73 3.28 0.00 -0.61 -5.06 105.19 108.74 1rxc n GLY 148 Ca 0.06 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1rxc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc s ALA 149 N -2.00 2.30 -0.26 4.61 0.00 -0.60 -5.00 121.76 120.82 1rxc s ALA 149 Ca 0.00 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 1rxc s ALA 149 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1rxc s ALA 149 CO 0.00 -1.70 0.64 -0.08 0.00 0.00 0.00 175.76 174.62 1rxc s THR 150 N -1.49 4.97 0.09 0.00 -1.32 -1.26 -4.72 115.64 111.92 1rxc s THR 150 Ca 0.82 1.14 0.08 0.00 -1.21 0.00 0.00 61.69 62.52 1rxc s THR 150 Cb -0.37 -3.95 -0.03 0.00 -1.51 0.00 0.00 72.50 66.64 1rxc s THR 150 CO 0.41 0.01 -0.22 -0.89 -2.21 0.00 0.00 174.62 171.72 1rxc s THR 151 N 2.54 1.79 0.02 5.08 2.01 -1.26 -1.37 115.64 124.44 1rxc s THR 151 Ca 0.27 -1.48 0.07 0.00 0.31 0.00 0.00 61.69 60.85 1rxc s THR 151 Cb -0.15 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 1rxc s THR 151 CO 0.09 0.04 -0.20 -1.00 -0.69 0.00 0.00 174.62 172.85 1rxc s HIS 152 N -1.05 1.80 -0.18 4.92 3.76 -0.24 -4.95 115.29 119.36 1rxc s HIS 152 Ca 0.08 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1rxc s HIS 152 Cb -0.10 -1.12 0.03 0.00 1.11 0.00 0.00 32.58 32.50 1rxc s HIS 152 CO 0.04 0.03 -0.15 0.08 -0.85 0.00 0.00 174.74 173.89 1rxc s VAL 153 N -0.64 1.80 0.00 -0.90 1.01 -1.26 -0.92 120.40 119.49 1rxc s VAL 153 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1rxc s VAL 153 Cb -0.08 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1rxc s VAL 153 CO 0.01 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1rxc n GLY 154 N 4.68 0.87 3.82 4.51 0.00 -0.96 -4.94 105.19 113.17 1rxc n GLY 154 Ca -0.18 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.73 4.62 -0.04 1.61 1.01 -1.26 -1.52 120.40 123.09 1rxc s VAL 155 Ca 0.00 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1rxc s VAL 155 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1rxc s VAL 155 CO 0.00 0.26 -0.20 -0.89 0.00 0.00 0.00 175.10 174.27 1rxc s THR 156 N -1.46 1.62 -0.13 3.92 2.01 -0.64 -1.50 115.64 119.47 1rxc s THR 156 Ca 0.41 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.36 1rxc s THR 156 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1rxc s THR 156 CO 0.21 0.46 0.59 0.00 -0.69 0.00 0.00 174.62 175.19 1rxc s ALA 157 N -0.16 3.45 -0.30 7.40 0.00 -0.20 -0.57 121.76 131.38 1rxc s ALA 157 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1rxc s ALA 157 Cb -0.11 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.23 1rxc s ALA 157 CO 0.02 -0.21 -0.02 0.45 0.00 0.00 0.00 175.76 176.00 1rxc s SER 158 N 0.87 4.77 -0.00 0.00 0.15 -0.52 -1.78 113.70 117.18 1rxc s SER 158 Ca 0.30 -1.42 0.02 0.00 0.70 0.00 0.00 55.95 55.55 1rxc s SER 158 Cb -0.16 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1rxc s SER 158 CO 0.13 -0.26 -0.01 -0.55 1.20 0.00 0.00 173.24 173.74 1rxc s SER 159 N 1.22 5.04 0.00 5.45 0.15 0.11 -1.35 113.70 124.32 1rxc s SER 159 Ca -0.04 -0.03 0.28 0.00 0.70 0.00 0.00 55.95 56.85 1rxc s SER 159 Cb -0.20 -1.30 1.41 0.00 -1.71 0.00 0.00 66.02 64.22 1rxc s SER 159 CO -0.03 0.28 1.95 0.47 1.20 0.00 0.00 173.24 177.11 1rxc n ASP 160 N 1.43 0.00 -4.24 5.45 10.43 -0.90 -4.24 116.55 124.47 1rxc n ASP 160 Ca -0.15 -0.15 -0.18 0.00 2.57 0.00 0.00 54.79 56.89 1rxc n ASP 160 Cb 0.53 -0.27 -0.11 0.00 1.84 0.00 0.00 41.12 43.11 1rxc n ASP 160 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxc s THR 161 N -2.54 1.32 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.43 1rxc s THR 161 Ca 0.27 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1rxc s THR 161 Cb 0.19 -1.55 -0.27 0.00 1.34 0.00 0.00 72.50 72.20 1rxc s THR 161 CO 0.41 -0.44 1.03 0.15 -0.54 0.00 0.00 174.62 175.24 1rxc h PHE 162 N 3.47 0.41 0.00 3.99 3.57 -1.98 -3.40 116.94 123.01 1rxc h PHE 162 Ca -0.40 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 60.80 1rxc h PHE 162 Cb 1.20 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1rxc h PHE 162 CO 0.65 1.28 0.00 0.66 -2.23 0.00 0.00 178.31 178.67 1rxc n TYR 163 N -3.47 0.00 -0.05 0.41 4.02 -1.26 -4.27 117.16 112.54 1rxc n TYR 163 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1rxc n TYR 163 Cb 1.02 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.63 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 0.64 0.00 -0.72 0.13 -1.87 -1.37 132.00 128.81 1rxc h PRO 164 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1rxc h PRO 164 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1rxc h PRO 164 CO 0.00 0.57 0.00 0.78 -0.23 0.00 0.00 178.00 179.12 1rxc h GLY 165 N 0.83 0.00 -2.50 1.56 0.00 -1.85 -1.07 103.07 100.04 1rxc h GLY 165 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 1rxc h GLY 165 CO -0.01 0.00 0.10 -1.06 0.00 0.00 0.00 176.54 175.57 1rxc n GLN 166 N -2.89 2.82 -4.24 4.80 6.02 -0.99 -4.92 117.38 117.97 1rxc n GLN 166 Ca 0.01 -3.03 -0.36 0.00 -0.01 0.00 0.00 57.00 53.60 1rxc n GLN 166 Cb 0.29 -1.97 -0.06 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.62 -0.73 -3.29 -1.09 2.13 -0.41 -4.95 120.64 111.68 1rxc n GLU 167 Ca 0.33 0.08 -0.38 0.00 0.66 0.00 0.00 57.16 57.85 1rxc n GLU 167 Cb 1.13 -3.23 -0.06 0.00 0.27 0.00 0.00 31.44 29.56 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 -7.42 4.28 -0.00 5.31 0.52 -0.55 -4.96 118.95 116.13 1rxc s ARG 168 Ca 0.16 0.56 0.08 0.00 -0.52 0.00 0.00 55.73 56.01 1rxc s ARG 168 Cb -0.09 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 31.91 1rxc s ARG 168 CO 0.99 0.29 0.29 0.66 0.02 0.00 0.00 175.30 177.55 1rxc n TYR 169 N 3.12 0.00 -1.06 -0.53 4.01 -1.26 -4.47 117.16 116.98 1rxc n TYR 169 Ca -0.08 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.38 1rxc n TYR 169 Cb 0.51 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.32 6.86 -4.39 7.72 5.75 -1.26 -4.26 116.55 125.65 1rxc n ASP 170 Ca 0.01 -2.45 -0.27 0.00 -0.01 0.00 0.00 54.79 52.06 1rxc n ASP 170 Cb 0.14 -1.36 -0.09 0.00 -1.03 0.00 0.00 41.12 38.78 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 2.35 0.96 0.15 2.12 -4.23 -1.26 -5.02 115.64 110.70 1rxc s THR 171 Ca 0.59 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.91 1rxc s THR 171 Cb 0.18 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.64 1rxc s THR 171 CO -0.04 0.00 1.68 0.22 -0.54 0.00 0.00 174.62 175.94 1rxc h TYR 172 N 1.71 -0.23 0.17 3.99 5.03 -1.99 -3.07 116.97 122.58 1rxc h TYR 172 Ca -0.39 0.03 -0.31 0.00 2.58 0.00 0.00 58.73 60.64 1rxc h TYR 172 Cb 1.28 0.15 0.01 0.00 1.55 0.00 0.00 36.73 39.72 1rxc h TYR 172 CO 1.30 -0.16 -1.41 0.66 -1.32 0.00 0.00 178.16 177.24 1rxc h SER 173 N -0.05 0.57 -0.08 -2.11 4.64 -1.97 -3.48 113.55 111.08 1rxc h SER 173 Ca 0.14 -0.65 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1rxc h SER 173 Cb 0.26 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1rxc h SER 173 CO -0.32 1.52 -0.03 0.61 -0.87 0.00 0.00 176.83 177.74 1rxc n GLY 174 N 1.64 0.51 3.25 -0.77 0.00 -1.16 -5.02 105.19 103.63 1rxc n GLY 174 Ca -0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1rxc n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxc s ARG 175 N -1.13 1.06 -0.03 1.61 1.70 -1.26 -4.91 118.95 115.99 1rxc s ARG 175 Ca 0.00 -1.46 0.04 0.00 -0.47 0.00 0.00 55.73 53.84 1rxc s ARG 175 Cb 0.00 -0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 33.83 1rxc s ARG 175 CO 0.00 0.03 -0.16 0.08 -1.08 0.00 0.00 175.30 174.17 1rxc s VAL 176 N -3.40 1.32 0.60 4.99 1.01 -1.26 -4.96 120.40 118.71 1rxc s VAL 176 Ca 0.18 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1rxc s VAL 176 Cb 0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1rxc s VAL 176 CO 0.01 0.38 1.27 0.55 0.00 0.00 0.00 175.10 177.30 1rxc n VAL 177 N 2.97 4.36 -0.32 2.92 3.14 -1.26 -4.66 118.33 125.48 1rxc n VAL 177 Ca -0.17 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.70 1rxc n VAL 177 Cb 0.54 -1.50 0.05 0.00 -1.06 0.00 0.00 33.84 31.86 1rxc n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1rxc h ARG 178 N 0.85 -0.04 -0.91 1.45 2.43 -2.00 -1.63 114.38 114.53 1rxc h ARG 178 Ca -0.50 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 58.88 1rxc h ARG 178 Cb 1.33 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.82 1rxc h ARG 178 CO 0.54 -0.03 0.60 1.25 -1.51 0.00 0.00 179.97 180.82 1rxc h HIS 179 N -0.04 0.53 -0.01 2.20 2.76 -2.03 -1.91 115.15 116.64 1rxc h HIS 179 Ca 0.33 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1rxc h HIS 179 Cb 0.60 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1rxc h HIS 179 CO -0.78 0.13 -0.77 1.19 -1.30 0.00 0.00 177.93 176.41 1rxc n PHE 180 N -4.51 0.00 -1.99 5.26 3.01 -0.65 -4.81 117.46 113.78 1rxc n PHE 180 Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 1rxc n PHE 180 Cb 0.71 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.14 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 -2.80 4.22 0.00 -1.08 2.20 -0.72 -1.90 119.74 119.66 1rxc s LYS 181 Ca 0.12 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1rxc s LYS 181 Cb 0.17 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1rxc s LYS 181 CO 0.75 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1rxc n GLY 182 N 3.84 0.96 0.17 5.54 0.00 -1.26 -4.95 105.19 109.50 1rxc n GLY 182 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1rxc n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxc h SER 183 N 0.00 0.57 -0.48 1.61 4.64 -1.69 -2.82 113.55 115.37 1rxc h SER 183 Ca 0.00 -0.47 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1rxc h SER 183 Cb 0.00 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 61.89 1rxc h SER 183 CO 0.00 0.91 0.23 -0.03 -0.87 0.00 0.00 176.83 177.07 1rxc h MET 184 N 0.22 0.44 -0.69 4.77 -1.53 -1.93 -0.20 114.93 116.02 1rxc h MET 184 Ca 0.04 -0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.31 1rxc h MET 184 Cb 0.75 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.65 1rxc h MET 184 CO 0.05 0.29 0.42 1.49 0.14 0.00 0.00 176.91 179.30 1rxc h GLU 185 N 0.45 0.79 -0.43 0.39 4.81 -1.95 -0.60 114.58 118.03 1rxc h GLU 185 Ca 0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1rxc h GLU 185 Cb 0.15 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1rxc h GLU 185 CO -0.17 0.52 0.28 0.93 -0.73 0.00 0.00 179.01 179.85 1rxc h GLU 186 N 0.81 0.57 -0.33 1.92 4.39 -1.11 -1.70 114.58 119.13 1rxc h GLU 186 Ca 0.29 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.88 1rxc h GLU 186 Cb 0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1rxc h GLU 186 CO -0.13 0.38 -0.08 -1.49 -1.16 0.00 0.00 179.01 176.53 1rxc h TRP 187 N 0.58 0.58 -0.41 4.33 -0.00 -0.57 -1.30 115.95 119.16 1rxc h TRP 187 Ca 0.16 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.89 58.89 1rxc h TRP 187 Cb -0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 28.93 1rxc h TRP 187 CO -0.04 0.62 -0.04 1.96 -0.00 0.00 0.00 178.44 180.93 1rxc h GLN 188 N 0.51 0.76 0.00 0.49 4.20 -0.87 -1.07 115.11 119.12 1rxc h GLN 188 Ca 0.10 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1rxc h GLN 188 Cb 0.45 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1rxc h GLN 188 CO 0.02 0.86 -0.17 0.00 -0.67 0.00 0.00 178.83 178.87 1rxc h ALA 189 N 0.87 1.12 -0.18 3.87 0.00 -1.03 -2.40 119.26 121.52 1rxc h ALA 189 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rxc h ALA 189 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rxc h ALA 189 CO 0.03 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 178.16 1rxc n MET 190 N -3.46 1.83 -0.68 0.00 2.81 -0.52 -4.94 117.12 112.17 1rxc n MET 190 Ca -0.01 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.64 1rxc n MET 190 Cb 0.34 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1rxc n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxc n GLY 191 N 1.18 0.76 3.73 3.03 0.00 -0.90 -5.01 105.19 107.98 1rxc n GLY 191 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.76 2.11 0.01 1.61 1.01 -0.44 -4.64 120.40 117.30 1rxc s VAL 192 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1rxc s VAL 192 Cb 0.00 -3.05 -0.29 0.00 0.00 0.00 0.00 36.38 33.03 1rxc s VAL 192 CO 0.00 0.01 0.91 0.24 0.00 0.00 0.00 175.10 176.26 1rxc h MET 193 N 5.94 0.32 -2.48 2.72 0.00 -1.58 -3.42 114.93 116.41 1rxc h MET 193 Ca -0.45 -0.54 0.15 0.00 0.00 0.00 0.00 59.70 58.86 1rxc h MET 193 Cb 1.21 0.20 -0.08 0.00 0.00 0.00 0.00 31.60 32.94 1rxc h MET 193 CO 0.88 1.21 0.43 0.54 0.00 0.00 0.00 176.91 179.97 1rxc s ASN 194 N -7.14 -0.20 0.02 1.22 4.22 -1.26 -0.96 114.94 110.83 1rxc s ASN 194 Ca -0.09 -0.44 0.01 0.00 -2.14 0.00 0.00 52.86 50.21 1rxc s ASN 194 Cb 0.06 0.54 -0.04 0.00 1.28 0.00 0.00 41.25 43.09 1rxc s ASN 194 CO 0.87 -0.99 0.06 -0.31 -2.04 0.00 0.00 177.10 174.69 1rxc s TYR 195 N -3.42 3.21 0.07 1.54 1.51 -1.23 -1.04 117.35 117.99 1rxc s TYR 195 Ca 0.12 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1rxc s TYR 195 Cb -0.02 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1rxc s TYR 195 CO 0.03 0.52 0.13 -0.85 -1.11 0.00 0.00 175.55 174.27 1rxc n GLU 196 N 1.00 0.18 0.00 -0.62 -0.00 -0.73 -4.37 120.64 116.11 1rxc n GLU 196 Ca -0.12 -0.42 0.00 0.00 -0.00 0.00 0.00 57.16 56.62 1rxc n GLU 196 Cb 0.52 0.49 0.00 0.00 -0.00 0.00 0.00 31.44 32.45 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 -0.10 0.17 0.00 3.44 2.81 -1.26 -0.72 117.12 121.47 1rxc n MET 197 Ca -0.01 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 1rxc n MET 197 Cb 0.10 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 1.98 0.13 0.03 4.71 -1.26 -3.50 120.64 122.62 1rxc n GLU 198 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1rxc n GLU 198 Cb 0.15 -0.83 0.16 0.00 -1.01 0.00 0.00 31.44 29.91 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 -0.44 1.62 4.64 -1.94 -1.77 113.55 115.66 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 0.63 0.27 0.00 -0.87 0.00 0.00 176.83 176.86 1rxc h ALA 200 N 1.37 0.56 -0.23 5.18 0.00 -1.87 0.19 119.26 124.46 1rxc h ALA 200 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rxc h ALA 200 Cb 1.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rxc h ALA 200 CO 0.08 0.05 -0.07 1.15 0.00 0.00 0.00 179.25 180.47 1rxc h THR 201 N 0.58 1.29 -0.38 0.00 2.02 -1.87 -1.88 112.91 112.68 1rxc h THR 201 Ca 0.16 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1rxc h THR 201 Cb -0.00 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1rxc h THR 201 CO -0.03 0.33 0.12 0.25 0.37 0.00 0.00 175.52 176.56 1rxc h LEU 202 N 0.19 0.55 -0.04 2.58 5.85 -1.22 -1.61 115.31 121.60 1rxc h LEU 202 Ca 0.06 -0.20 -0.23 0.00 0.84 0.00 0.00 57.88 58.34 1rxc h LEU 202 Cb 0.53 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 41.44 1rxc h LEU 202 CO 0.02 0.61 -0.89 -0.07 -0.34 0.00 0.00 178.44 177.77 1rxc h LEU 203 N 0.46 0.85 0.19 2.25 3.38 -1.01 -2.39 115.31 119.04 1rxc h LEU 203 Ca 0.12 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1rxc h LEU 203 Cb 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1rxc h LEU 203 CO -0.00 1.44 -0.09 0.74 0.09 0.00 0.00 178.44 180.62 1rxc h THR 204 N 0.34 0.87 -0.30 0.22 2.02 -1.37 -0.89 112.91 113.80 1rxc h THR 204 Ca -0.10 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1rxc h THR 204 Cb 1.54 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1rxc h THR 204 CO 0.18 0.06 0.01 0.00 0.37 0.00 0.00 175.52 176.14 1rxc h MET 205 N -0.38 0.46 0.06 6.66 -0.00 -1.35 -1.81 114.93 118.56 1rxc h MET 205 Ca -0.03 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1rxc h MET 205 Cb 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 1rxc h MET 205 CO 0.04 0.48 -0.03 0.00 -0.00 0.00 0.00 176.91 177.41 1rxc h ALA 207 N -0.03 1.18 -0.14 0.00 0.00 -1.10 -1.24 119.26 117.94 1rxc h ALA 207 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxc h ALA 207 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rxc h ALA 207 CO 0.01 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1rxc n SER 208 N -3.37 2.52 -0.32 0.00 3.41 -0.69 -4.26 113.62 110.91 1rxc n SER 208 Ca -0.03 -1.83 0.03 0.00 -0.26 0.00 0.00 58.87 56.78 1rxc n SER 208 Cb 0.12 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1rxc n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxc n GLN 209 N 0.92 0.45 -1.71 4.33 6.02 -0.71 -5.01 117.38 121.67 1rxc n GLN 209 Ca 0.17 -1.39 -0.13 0.00 -0.01 0.00 0.00 57.00 55.64 1rxc n GLN 209 Cb 0.50 -0.78 -0.04 0.00 1.02 0.00 0.00 30.24 30.94 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 -0.40 0.83 3.73 1.08 0.00 -1.05 -5.01 105.19 104.37 1rxc n GLY 210 Ca 0.04 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.35 3.68 -0.14 0.99 1.43 -0.55 -5.05 118.68 115.70 1rxc s LEU 211 Ca 0.00 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1rxc s LEU 211 Cb 0.00 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1rxc s LEU 211 CO 0.00 0.24 0.39 -0.13 0.23 0.00 0.00 176.35 177.08 1rxc s ARG 212 N -1.90 4.30 0.04 1.70 0.52 -0.50 -3.73 118.95 119.38 1rxc s ARG 212 Ca 0.24 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 1rxc s ARG 212 Cb -0.12 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 1rxc s ARG 212 CO 0.15 0.19 -0.07 0.00 0.02 0.00 0.00 175.30 175.59 1rxc s ALA 213 N 0.57 0.51 0.20 2.13 0.00 -1.26 -0.57 121.76 123.34 1rxc s ALA 213 Ca 0.22 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1rxc s ALA 213 Cb -0.14 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1rxc s ALA 213 CO 0.07 -0.03 0.20 0.20 0.00 0.00 0.00 175.76 176.21 1rxc s GLY 214 N -1.47 1.15 -0.05 0.00 0.00 -0.80 -1.54 107.32 104.62 1rxc s GLY 214 Ca -0.10 -1.46 -0.08 0.00 0.00 0.00 0.00 44.72 43.08 1rxc s GLY 214 CO 0.00 -1.20 0.21 -0.29 0.00 0.00 0.00 173.10 171.81 1rxc s MET 215 N -4.11 0.37 -0.02 2.90 1.75 -1.26 -0.70 119.30 118.23 1rxc s MET 215 Ca 0.33 0.05 -0.05 0.00 -1.25 0.00 0.00 55.69 54.76 1rxc s MET 215 Cb 0.05 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.89 1rxc s MET 215 CO 0.10 -0.07 0.12 0.54 -0.65 0.00 0.00 175.02 175.05 1rxc s VAL 216 N -0.48 0.05 -0.10 10.11 0.11 -0.83 -2.20 120.40 127.06 1rxc s VAL 216 Ca -0.06 -0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 58.40 1rxc s VAL 216 Cb -0.04 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1rxc s VAL 216 CO 0.01 -0.24 0.41 0.00 -3.33 0.00 0.00 175.10 171.95 1rxc s ALA 217 N -0.80 -1.02 0.17 1.54 0.00 -0.24 -2.57 121.76 118.84 1rxc s ALA 217 Ca -0.09 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1rxc s ALA 217 Cb -0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 1rxc s ALA 217 CO 0.01 -0.24 0.70 0.20 0.00 0.00 0.00 175.76 176.43 1rxc s GLY 218 N -0.44 2.72 -0.38 0.00 0.00 -0.71 -0.16 107.32 108.36 1rxc s GLY 218 Ca -0.06 0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.65 1rxc s GLY 218 CO 0.03 0.61 0.61 0.14 0.00 0.00 0.00 173.10 174.48 1rxc s VAL 219 N -1.30 4.90 -0.15 1.40 1.01 -0.32 -1.15 120.40 124.79 1rxc s VAL 219 Ca 0.37 0.36 0.17 0.00 0.00 0.00 0.00 61.98 62.88 1rxc s VAL 219 Cb -0.19 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.85 1rxc s VAL 219 CO 0.22 -0.38 0.26 2.30 0.00 0.00 0.00 175.10 177.50 1rxc n ILE 220 N 5.63 1.37 -4.15 2.22 -5.35 -0.68 -1.35 119.36 117.05 1rxc n ILE 220 Ca -0.02 -0.82 -0.10 0.00 -0.27 0.00 0.00 62.75 61.53 1rxc n ILE 220 Cb 0.48 -0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 37.70 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 -2.58 0.61 -0.04 7.28 0.11 -1.20 -4.51 120.40 120.06 1rxc s VAL 221 Ca -0.08 -1.84 -0.01 0.00 -2.93 0.00 0.00 61.98 57.11 1rxc s VAL 221 Cb 0.07 -1.57 0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1rxc s VAL 221 CO 0.83 -0.85 0.03 0.21 -3.33 0.00 0.00 175.10 171.99 1rxc s ASN 222 N -2.90 1.01 0.15 3.54 3.84 -1.26 -2.14 114.94 117.17 1rxc s ASN 222 Ca 0.09 0.00 -0.15 0.00 0.21 0.00 0.00 52.86 53.02 1rxc s ASN 222 Cb 0.04 -0.24 0.02 0.00 -0.55 0.00 0.00 41.25 40.52 1rxc s ASN 222 CO -0.05 -0.19 1.70 0.03 -2.79 0.00 0.00 177.10 175.81 1rxc h ARG 223 N 8.02 0.67 0.00 0.43 2.47 -1.81 -3.04 114.38 121.12 1rxc h ARG 223 Ca -0.24 -0.12 -0.07 0.00 -1.26 0.00 0.00 59.98 58.29 1rxc h ARG 223 Cb 1.12 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 1rxc h ARG 223 CO 0.29 0.60 -0.32 1.79 0.56 0.00 0.00 179.97 182.89 1rxc h THR 224 N 0.59 0.77 -3.49 2.04 1.35 -1.88 -3.46 112.91 108.82 1rxc h THR 224 Ca 0.15 -1.36 -0.50 0.00 -0.55 0.00 0.00 66.41 64.16 1rxc h THR 224 Cb 0.17 1.86 0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1rxc h THR 224 CO -0.01 0.31 0.03 -1.10 -0.25 0.00 0.00 175.52 174.49 1rxc s GLN 225 N -3.64 3.67 -0.28 4.72 -0.21 -1.15 -5.03 119.66 117.74 1rxc s GLN 225 Ca 0.00 0.24 -0.19 0.00 0.02 0.00 0.00 55.36 55.43 1rxc s GLN 225 Cb 0.11 -2.47 0.08 0.00 1.00 0.00 0.00 33.01 31.73 1rxc s GLN 225 CO 0.67 0.01 0.72 -1.14 -2.12 0.00 0.00 175.29 173.43 1rxc s GLN 226 N -3.98 0.73 0.62 2.91 2.00 -1.26 -4.77 119.66 115.92 1rxc s GLN 226 Ca 0.48 1.11 -0.02 0.00 -2.00 0.00 0.00 55.36 54.92 1rxc s GLN 226 Cb -0.10 0.23 0.05 0.00 0.80 0.00 0.00 33.01 33.98 1rxc s GLN 226 CO 0.34 -0.13 0.89 -1.21 -0.50 0.00 0.00 175.29 174.68 1rxc s GLU 227 N 1.17 2.39 -0.09 1.67 8.01 -1.26 -5.15 118.70 125.44 1rxc s GLU 227 Ca -0.06 -0.53 -0.22 0.00 0.01 0.00 0.00 54.97 54.17 1rxc s GLU 227 Cb -0.05 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.40 1rxc s GLU 227 CO -0.12 -0.95 0.65 -1.50 0.01 0.00 0.00 175.26 173.34 1rxc s ILE 228 N -2.99 5.07 0.04 -1.63 2.07 -1.26 -5.08 121.20 117.42 1rxc s ILE 228 Ca 0.59 1.32 -0.08 0.00 -1.41 0.00 0.00 60.65 61.06 1rxc s ILE 228 Cb -0.11 -3.99 -0.05 0.00 0.13 0.00 0.00 42.46 38.45 1rxc s ILE 228 CO 0.41 0.25 0.33 -2.16 -1.91 0.00 0.00 174.94 171.86 1rxc s PRO 229 N 0.91 3.68 0.00 3.50 0.05 -1.26 -5.21 135.00 136.67 1rxc s PRO 229 Ca 0.34 0.06 0.00 0.00 0.05 0.00 0.00 61.00 61.45 1rxc s PRO 229 Cb -0.17 -3.04 0.00 0.00 0.05 0.00 0.00 34.50 31.34 1rxc s PRO 229 CO 0.15 0.61 0.00 -1.71 0.05 0.00 0.00 177.00 176.10 1rxc n ASN 230 N 1.04 0.00 0.00 6.66 5.15 -1.26 -4.69 115.26 122.16 1rxc n ASN 230 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1rxc n ASN 230 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1rxc n ASN 230 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1rxc n LYS 235 N 0.00 0.00 -0.30 1.20 -0.00 -1.26 -5.19 118.16 112.61 1rxc n LYS 235 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1rxc n LYS 235 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 35.03 35.16 1rxc n LYS 235 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1rxc h GLN 236 N 0.00 1.19 0.02 -1.58 4.20 -2.03 -2.54 115.11 114.37 1rxc h GLN 236 Ca 0.00 -0.13 -0.22 0.00 0.06 0.00 0.00 58.65 58.36 1rxc h GLN 236 Cb 0.00 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1rxc h GLN 236 CO 0.00 0.86 -0.96 1.15 -0.67 0.00 0.00 178.83 179.21 1rxc h THR 237 N 1.20 1.47 -0.04 -0.54 2.02 -1.94 -2.39 112.91 112.69 1rxc h THR 237 Ca 0.31 -2.64 0.01 0.00 0.77 0.00 0.00 66.41 64.85 1rxc h THR 237 Cb 0.00 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1rxc h THR 237 CO -0.05 0.78 -0.03 -0.08 0.37 0.00 0.00 175.52 176.50 1rxc h GLU 238 N 0.14 -0.04 0.00 6.66 4.81 -1.91 -2.62 114.58 121.62 1rxc h GLU 238 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1rxc h GLU 238 Cb 1.61 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1rxc h GLU 238 CO 0.15 -0.02 0.00 1.03 -0.73 0.00 0.00 179.01 179.44 1rxc h SER 239 N -0.04 0.00 -0.05 1.04 0.87 -1.48 -2.45 113.55 111.44 1rxc h SER 239 Ca 0.03 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1rxc h SER 239 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1rxc h SER 239 CO -0.06 0.00 -0.26 -0.74 -0.53 0.00 0.00 176.83 175.23 1rxc h HIS 240 N 0.00 0.37 -0.09 2.24 6.17 -1.28 -2.65 115.15 119.91 1rxc h HIS 240 Ca 0.00 -0.16 -0.14 0.00 0.71 0.00 0.00 60.37 60.78 1rxc h HIS 240 Cb 0.66 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.52 1rxc h HIS 240 CO 0.00 0.89 -0.54 0.00 0.71 0.00 0.00 177.93 178.99 1rxc h ALA 241 N 0.40 0.91 -0.50 5.26 0.00 -1.42 -2.79 119.26 121.12 1rxc h ALA 241 Ca -0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1rxc h ALA 241 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1rxc h ALA 241 CO 0.05 0.69 -0.09 0.28 0.00 0.00 0.00 179.25 180.18 1rxc h VAL 242 N 0.21 1.26 -0.34 0.00 2.07 -1.52 -1.57 116.25 116.36 1rxc h VAL 242 Ca 0.00 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1rxc h VAL 242 Cb 1.03 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1rxc h VAL 242 CO 0.09 0.42 -0.00 0.50 0.02 0.00 0.00 177.57 178.60 1rxc h LYS 243 N 0.83 0.53 -0.20 1.57 3.64 -1.35 -2.26 116.57 119.33 1rxc h LYS 243 Ca 0.14 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1rxc h LYS 243 Cb 0.62 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1rxc h LYS 243 CO 0.04 0.56 -0.29 0.82 -2.27 0.00 0.00 179.45 178.31 1rxc h ILE 244 N 0.51 1.33 -0.51 2.00 2.04 -1.20 -1.91 117.51 119.78 1rxc h ILE 244 Ca 0.11 -1.50 -0.10 0.00 1.00 0.00 0.00 64.86 64.37 1rxc h ILE 244 Cb 0.33 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1rxc h ILE 244 CO 0.01 0.46 -0.09 1.62 0.00 0.00 0.00 178.15 180.15 1rxc h VAL 245 N 0.22 1.26 -0.54 1.67 3.04 -1.15 -0.69 116.25 120.07 1rxc h VAL 245 Ca 0.02 -1.21 -0.10 0.00 -1.01 0.00 0.00 66.70 64.40 1rxc h VAL 245 Cb 0.87 0.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 1rxc h VAL 245 CO 0.07 0.43 -0.04 0.58 -1.01 0.00 0.00 177.57 177.59 1rxc h VAL 246 N 0.84 1.27 -0.11 1.51 2.07 -1.43 0.87 116.25 121.27 1rxc h VAL 246 Ca 0.14 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 1rxc h VAL 246 Cb 0.63 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1rxc h VAL 246 CO 0.04 0.41 -0.40 -0.08 0.02 0.00 0.00 177.57 177.56 1rxc h GLU 247 N 0.85 0.24 -0.20 1.57 4.57 -1.23 -2.32 114.58 118.06 1rxc h GLU 247 Ca 0.15 -0.11 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 1rxc h GLU 247 Cb 0.59 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1rxc h GLU 247 CO 0.04 0.61 -0.52 0.00 -1.18 0.00 0.00 179.01 177.95 1rxc h ALA 248 N 1.38 0.33 -0.90 2.92 0.00 -0.69 -3.01 119.26 119.30 1rxc h ALA 248 Ca 0.02 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1rxc h ALA 248 Cb 0.80 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1rxc h ALA 248 CO 0.06 0.53 0.54 0.00 0.00 0.00 0.00 179.25 180.38 1rxc h ALA 249 N 0.59 1.30 -0.65 0.00 0.00 -0.76 -1.65 119.26 118.09 1rxc h ALA 249 Ca -0.01 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1rxc h ALA 249 Cb 1.14 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1rxc h ALA 249 CO 0.11 0.19 0.05 -0.09 0.00 0.00 0.00 179.25 179.51 1rxc h ARG 250 N 0.91 0.15 0.00 0.00 2.43 -1.29 -1.63 114.38 114.95 1rxc h ARG 250 Ca 0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1rxc h ARG 250 Cb 0.36 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1rxc h ARG 250 CO -0.24 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.32 1rxc h ARG 251 N 0.16 0.00 -0.24 0.20 3.08 -1.20 -3.26 114.38 113.11 1rxc h ARG 251 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1rxc h ARG 251 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1rxc h ARG 251 CO -0.53 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.65 1rxc n LEU 252 N -2.86 3.10 0.00 3.04 4.77 -0.65 -5.09 117.00 119.31 1rxc n LEU 252 Ca 0.02 -1.34 0.15 0.00 -0.03 0.00 0.00 56.01 54.81 1rxc n LEU 252 Cb 0.36 -0.15 0.88 0.00 -2.33 0.00 0.00 43.42 42.18 1rxc n LEU 252 CO 0.28 0.63 1.05 0.18 -1.33 0.00 0.00 177.39 178.20