#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 0.33 -4.23 -3.46 8.00 -0.20 -4.90 116.55 112.10 1rxc n ASP 5 Ca 0.00 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 1rxc n ASP 5 Cb 0.00 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.89 0.77 -0.04 2.53 -7.23 -1.24 -5.06 120.40 107.25 1rxc s VAL 6 Ca 0.16 -1.98 0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1rxc s VAL 6 Cb 0.19 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.06 1rxc s VAL 6 CO 0.59 -0.61 1.23 0.15 -0.31 0.00 0.00 175.10 176.15 1rxc h PHE 7 N 2.77 0.00 0.00 2.82 3.57 -1.95 -3.39 116.94 120.76 1rxc h PHE 7 Ca -0.36 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 60.98 1rxc h PHE 7 Cb 1.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 1rxc h PHE 7 CO 0.57 0.74 -1.61 0.72 -2.23 0.00 0.00 178.31 176.50 1rxc n HIS 8 N -3.21 0.00 0.15 0.41 8.25 -1.26 -4.77 115.22 114.79 1rxc n HIS 8 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1rxc n HIS 8 Cb 0.85 -0.42 0.12 0.00 1.12 0.00 0.00 29.99 31.66 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 0.00 0.00 -0.82 2.41 3.38 -1.92 -3.44 115.31 114.93 1rxc h LEU 9 Ca -0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1rxc h LEU 9 Cb 1.39 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.18 1rxc h LEU 9 CO -0.03 0.49 -0.19 0.61 0.09 0.00 0.00 178.44 179.41 1rxc n GLY 10 N 0.93 0.50 3.33 0.83 0.00 -1.26 -4.61 105.19 104.91 1rxc n GLY 10 Ca 0.01 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.70 2.43 0.28 0.99 1.43 -1.26 -4.79 118.68 115.06 1rxc s LEU 11 Ca 0.15 -0.85 0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1rxc s LEU 11 Cb -0.07 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1rxc s LEU 11 CO 0.19 -0.03 -0.09 0.42 0.23 0.00 0.00 176.35 177.07 1rxc s THR 12 N -2.00 2.91 0.28 5.49 -4.23 -1.26 -1.03 115.64 115.80 1rxc s THR 12 Ca 0.15 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1rxc s THR 12 Cb -0.06 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1rxc s THR 12 CO 0.06 -0.36 1.82 0.50 -0.54 0.00 0.00 174.62 176.10 1rxc h LYS 13 N 2.04 0.89 -0.70 3.99 1.63 -1.96 -2.52 116.57 119.94 1rxc h LYS 13 Ca -0.42 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1rxc h LYS 13 Cb 1.25 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 1rxc h LYS 13 CO 0.61 0.59 0.40 -0.97 -3.45 0.00 0.00 179.45 176.64 1rxc h ASN 14 N 0.92 0.86 -1.00 4.20 -0.00 -1.96 -2.59 115.58 116.02 1rxc h ASN 14 Ca 0.50 -0.08 0.23 0.00 -0.00 0.00 0.00 56.30 56.96 1rxc h ASN 14 Cb 0.56 -0.22 -0.09 0.00 -0.00 0.00 0.00 38.32 38.56 1rxc h ASN 14 CO -0.29 0.69 0.64 0.44 -0.00 0.00 0.00 177.43 178.91 1rxc h ASP 15 N 0.96 0.53 0.91 1.15 3.32 -1.85 -2.01 116.42 119.43 1rxc h ASP 15 Ca 0.25 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1rxc h ASP 15 Cb 0.01 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1rxc h ASP 15 CO -0.04 0.15 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.08 1rxc h LEU 16 N 0.49 0.00 1.00 1.55 4.07 -1.49 -3.48 115.31 117.46 1rxc h LEU 16 Ca 0.57 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 58.12 1rxc h LEU 16 Cb 1.28 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.08 1rxc h LEU 16 CO -0.31 0.47 -0.61 0.00 -1.08 0.00 0.00 178.44 176.92 1rxc n GLN 17 N -3.52 -4.89 -0.73 1.13 6.02 -0.76 -2.44 117.38 112.19 1rxc n GLN 17 Ca -0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1rxc n GLN 17 Cb 0.58 -5.77 0.00 0.00 1.02 0.00 0.00 30.24 26.08 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 -1.53 0.61 3.75 1.08 0.00 -1.26 -4.76 105.19 103.08 1rxc n GLY 18 Ca -0.11 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 0.20 2.13 -0.27 4.61 0.00 -1.02 -4.90 120.51 121.25 1rxc n ALA 19 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1rxc n ALA 19 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 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 0.66 0.00 -4.81 0.00 -2.24 -1.26 -4.23 114.28 102.39 1rxc n THR 20 Ca 0.03 -0.35 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 1rxc n THR 20 Cb 0.38 1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.13 1.90 -0.03 3.22 0.20 -1.26 -0.78 118.68 121.81 1rxc s LEU 21 Ca 0.00 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.50 1rxc s LEU 21 Cb 0.00 -0.95 0.00 0.00 -0.43 0.00 0.00 46.19 44.81 1rxc s LEU 21 CO 0.00 0.15 -0.10 0.00 -0.29 0.00 0.00 176.35 176.11 1rxc s ALA 22 N 0.07 0.93 -0.11 5.97 0.00 -0.29 -1.84 121.76 126.49 1rxc s ALA 22 Ca -0.04 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 1rxc s ALA 22 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1rxc s ALA 22 CO 0.02 0.14 0.50 0.42 0.00 0.00 0.00 175.76 176.85 1rxc s ILE 23 N 0.23 5.17 -0.47 0.00 1.01 0.06 -1.42 121.20 125.79 1rxc s ILE 23 Ca -0.04 1.00 0.03 0.00 0.00 0.00 0.00 60.65 61.65 1rxc s ILE 23 Cb -0.09 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.66 1rxc s ILE 23 CO 0.01 0.33 0.23 0.68 0.00 0.00 0.00 174.94 176.18 1rxc s VAL 24 N 0.59 2.14 0.75 2.92 -7.23 0.23 -1.50 120.40 118.29 1rxc s VAL 24 Ca 0.27 -2.92 -0.12 0.00 -1.81 0.00 0.00 61.98 57.40 1rxc s VAL 24 Cb -0.15 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.33 1rxc s VAL 24 CO 0.11 -0.80 1.12 -2.16 -0.31 0.00 0.00 175.10 173.06 1rxc s PRO 25 N 0.10 2.45 -0.03 4.82 0.04 -1.25 -3.30 135.00 137.82 1rxc s PRO 25 Ca 0.16 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 61.47 1rxc s PRO 25 Cb -0.25 -1.98 -0.32 0.00 0.04 0.00 0.00 34.50 32.00 1rxc s PRO 25 CO -0.02 -1.31 0.77 0.78 0.04 0.00 0.00 177.00 177.26 1rxc h GLY 26 N -0.86 0.47 -5.72 0.56 0.00 -1.83 -1.50 103.07 94.19 1rxc h GLY 26 Ca -0.46 -1.21 -0.59 0.00 0.00 0.00 0.00 47.33 45.07 1rxc h GLY 26 CO 0.63 1.06 0.28 -0.35 0.00 0.00 0.00 176.54 178.17 1rxc s ASP 27 N -7.32 6.82 0.52 0.19 3.68 -1.26 -1.45 116.67 117.84 1rxc s ASP 27 Ca -0.14 1.00 0.22 0.00 2.13 0.00 0.00 52.55 55.76 1rxc s ASP 27 Cb 0.04 -2.40 1.34 0.00 -1.45 0.00 0.00 42.92 40.45 1rxc s ASP 27 CO 0.87 -0.36 2.02 -0.65 0.13 0.00 0.00 175.17 177.18 1rxc h PRO 28 N 7.46 0.03 0.00 4.34 0.11 -1.90 -1.67 132.00 140.38 1rxc h PRO 28 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1rxc h PRO 28 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rxc h PRO 28 CO 0.81 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.38 1rxc n ASP 29 N -4.42 0.00 0.04 -2.05 8.00 -1.26 -2.93 116.55 113.93 1rxc n ASP 29 Ca 0.07 -0.87 0.11 0.00 0.71 0.00 0.00 54.79 54.82 1rxc n ASP 29 Cb 0.49 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1rxc n ASP 29 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1rxc n ARG 30 N -1.04 0.39 -0.11 -1.24 0.63 -0.63 -4.57 116.66 110.10 1rxc n ARG 30 Ca 0.22 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.06 1rxc n ARG 30 Cb 0.13 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.38 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 1.23 -0.84 5.15 2.07 -1.63 -2.12 116.25 120.10 1rxc h VAL 31 Ca 0.00 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1rxc h VAL 31 Cb 0.81 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1rxc h VAL 31 CO 0.00 0.26 0.48 -0.08 0.02 0.00 0.00 177.57 178.25 1rxc h GLU 32 N 0.40 1.16 -0.56 1.57 4.81 -1.80 -2.28 114.58 117.86 1rxc h GLU 32 Ca 0.11 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1rxc h GLU 32 Cb 0.32 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1rxc h GLU 32 CO 0.00 0.83 0.08 0.87 -0.73 0.00 0.00 179.01 180.07 1rxc h LYS 33 N 1.17 0.93 -0.21 1.92 1.57 -1.66 -2.79 116.57 117.50 1rxc h LYS 33 Ca 0.30 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1rxc h LYS 33 Cb -0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1rxc h LYS 33 CO -0.05 0.90 -0.56 0.82 -0.57 0.00 0.00 179.45 179.99 1rxc h ILE 34 N 0.82 1.31 0.00 1.86 2.04 -1.26 -2.99 117.51 119.29 1rxc h ILE 34 Ca 0.17 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1rxc h ILE 34 Cb 0.42 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1rxc h ILE 34 CO 0.01 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1rxc h ALA 35 N 0.88 1.00 0.00 1.87 0.00 -1.32 -2.89 119.26 118.80 1rxc h ALA 35 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rxc h ALA 35 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rxc h ALA 35 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1rxc n ALA 36 N -2.04 2.28 1.76 0.00 0.00 -1.06 -2.63 120.51 118.81 1rxc n ALA 36 Ca -0.01 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1rxc n ALA 36 Cb 0.20 -1.47 0.82 0.00 0.00 0.00 0.00 19.45 19.00 1rxc n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rxc n LEU 37 N -2.20 0.25 -4.76 0.00 7.99 -1.09 -4.89 117.00 112.30 1rxc n LEU 37 Ca 0.06 -0.01 -0.33 0.00 -0.01 0.00 0.00 56.01 55.72 1rxc n LEU 37 Cb 0.42 -0.07 -0.08 0.00 -0.11 0.00 0.00 43.42 43.58 1rxc n LEU 37 CO 0.30 0.04 -0.25 -0.04 -1.51 0.00 0.00 177.39 175.93 1rxc s MET 38 N -2.16 2.20 0.02 3.23 -1.94 -1.08 -5.11 119.30 114.46 1rxc s MET 38 Ca 0.41 -2.41 -0.10 0.00 -1.71 0.00 0.00 55.69 51.88 1rxc s MET 38 Cb 0.21 -1.50 -0.05 0.00 2.01 0.00 0.00 34.83 35.50 1rxc s MET 38 CO 0.40 -0.38 0.34 -0.51 -0.01 0.00 0.00 175.02 174.86 1rxc s ASP 39 N -3.88 6.62 -1.30 3.03 -0.00 -0.36 -4.52 116.67 116.26 1rxc s ASP 39 Ca 0.05 0.74 -0.07 0.00 -0.00 0.00 0.00 52.55 53.28 1rxc s ASP 39 Cb 0.01 -2.16 -0.00 0.00 -0.00 0.00 0.00 42.92 40.77 1rxc s ASP 39 CO 0.03 0.26 0.58 0.29 -0.00 0.00 0.00 175.17 176.33 1rxc n LYS 40 N 1.30 -2.92 -2.10 8.23 5.02 -1.26 0.48 118.16 126.91 1rxc n LYS 40 Ca -0.12 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1rxc n LYS 40 Cb 0.53 -4.51 -0.03 0.00 -0.02 0.00 0.00 35.03 31.00 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 -6.28 4.25 -0.01 1.97 0.04 -1.26 -4.39 135.00 129.33 1rxc s PRO 41 Ca 0.15 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1rxc s PRO 41 Cb -0.05 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 1rxc s PRO 41 CO 0.87 -0.61 -0.06 0.08 0.04 0.00 0.00 177.00 177.31 1rxc s VAL 42 N 2.26 0.51 0.04 -0.36 1.01 -0.07 -4.99 120.40 118.80 1rxc s VAL 42 Ca 0.68 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1rxc s VAL 42 Cb -0.36 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1rxc s VAL 42 CO 0.29 0.16 1.20 -0.75 0.00 0.00 0.00 175.10 176.00 1rxc s LYS 43 N 0.04 4.41 -0.25 2.72 2.20 -1.26 -0.76 119.74 126.84 1rxc s LYS 43 Ca -0.00 1.75 -0.16 0.00 -0.36 0.00 0.00 55.97 57.20 1rxc s LYS 43 Cb -0.05 -3.40 -0.12 0.00 -1.51 0.00 0.00 37.83 32.75 1rxc s LYS 43 CO -0.00 -0.30 -0.23 1.28 -0.36 0.00 0.00 175.35 175.74 1rxc n LEU 44 N 4.22 1.93 -3.56 5.43 4.77 -0.71 -4.94 117.00 124.14 1rxc n LEU 44 Ca 0.09 0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1rxc n LEU 44 Cb 0.46 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1rxc n LEU 44 CO 0.55 0.37 0.28 0.00 -1.33 0.00 0.00 177.39 177.27 1rxc s ALA 45 N -2.53 -1.21 -0.27 -1.18 0.00 -1.13 -5.04 121.76 110.39 1rxc s ALA 45 Ca -0.35 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1rxc s ALA 45 Cb 0.11 0.80 0.15 0.00 0.00 0.00 0.00 23.12 24.18 1rxc s ALA 45 CO 0.49 -0.73 0.38 0.45 0.00 0.00 0.00 175.76 176.35 1rxc s SER 46 N -2.79 0.56 -0.03 0.00 0.15 -1.26 -1.45 113.70 108.87 1rxc s SER 46 Ca 0.03 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1rxc s SER 46 Cb 0.00 1.00 0.01 0.00 -1.71 0.00 0.00 66.02 65.32 1rxc s SER 46 CO -0.11 -0.34 -0.08 -1.00 1.20 0.00 0.00 173.24 172.92 1rxc s HIS 47 N 2.51 0.89 0.00 3.44 3.76 -0.80 -4.99 115.29 120.10 1rxc s HIS 47 Ca 0.11 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1rxc s HIS 47 Cb -0.14 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 32.88 1rxc s HIS 47 CO -0.25 -0.14 0.00 0.54 -0.85 0.00 0.00 174.74 174.04 1rxc n ARG 48 N 3.55 0.00 -0.41 1.40 1.74 -1.26 -0.95 116.66 120.73 1rxc n ARG 48 Ca -0.21 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.93 1rxc n ARG 48 Cb 0.53 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.20 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 2.80 -3.62 5.56 0.00 -1.26 -4.72 120.64 133.41 1rxc n GLU 49 Ca 0.00 -1.83 -0.39 0.00 0.00 0.00 0.00 57.16 54.94 1rxc n GLU 49 Cb 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 31.44 29.67 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 -1.76 3.50 -0.22 -1.84 0.40 -0.12 -3.99 117.98 113.94 1rxc s PHE 50 Ca 0.33 -2.37 -0.12 0.00 -0.60 0.00 0.00 56.93 54.16 1rxc s PHE 50 Cb 0.21 -3.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.31 1rxc s PHE 50 CO 0.15 -0.91 0.24 0.99 0.70 0.00 0.00 175.22 176.38 1rxc s THR 51 N 0.39 5.32 -0.13 0.64 2.01 -1.26 -1.90 115.64 120.71 1rxc s THR 51 Ca 0.14 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.53 1rxc s THR 51 Cb -0.20 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1rxc s THR 51 CO -0.04 0.33 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.13 1rxc s THR 52 N 1.00 1.94 0.32 -0.82 2.01 -0.53 -1.45 115.64 118.11 1rxc s THR 52 Ca 0.12 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.29 1rxc s THR 52 Cb -0.14 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1rxc s THR 52 CO 0.05 0.53 0.00 0.26 -0.69 0.00 0.00 174.62 174.77 1rxc s TRP 53 N 0.80 2.57 -0.04 4.92 0.52 -0.08 -1.73 118.94 125.90 1rxc s TRP 53 Ca -0.08 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.69 1rxc s TRP 53 Cb -0.16 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 30.77 1rxc s TRP 53 CO -0.01 0.51 -0.11 0.50 0.02 0.00 0.00 176.95 177.87 1rxc s ARG 54 N -3.70 1.27 0.00 4.98 3.52 0.06 -1.57 118.95 123.51 1rxc s ARG 54 Ca 0.34 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1rxc s ARG 54 Cb -0.02 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 1rxc s ARG 54 CO 0.19 0.11 0.00 0.00 -0.81 0.00 0.00 175.30 174.80 1rxc n ALA 55 N 3.40 0.00 -2.61 6.12 0.00 -0.54 -0.89 120.51 125.99 1rxc n ALA 55 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1rxc n ALA 55 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.77 1.00 -0.14 0.00 2.12 0.18 -1.46 118.70 118.63 1rxc s GLU 56 Ca 0.00 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 1rxc s GLU 56 Cb 0.00 -0.97 0.05 0.00 0.26 0.00 0.00 34.13 33.47 1rxc s GLU 56 CO 0.00 0.26 0.06 -1.17 -0.54 0.00 0.00 175.26 173.87 1rxc s LEU 57 N -0.37 0.57 -1.43 2.70 2.96 -0.70 -1.23 118.68 121.18 1rxc s LEU 57 Ca 0.04 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 1rxc s LEU 57 Cb -0.05 -0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.34 1rxc s LEU 57 CO -0.00 -0.30 0.63 0.47 -1.32 0.00 0.00 176.35 175.82 1rxc n ASP 58 N 5.20 -4.95 0.00 3.68 8.00 -1.26 -2.41 116.55 124.81 1rxc n ASP 58 Ca -0.07 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1rxc n ASP 58 Cb 0.49 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 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 -1.42 0.81 3.44 0.44 0.00 -1.26 -5.05 105.19 102.15 1rxc n GLY 59 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.34 2.37 0.50 1.61 1.02 -1.01 -5.08 119.74 118.82 1rxc s LYS 60 Ca 0.00 -0.78 -0.22 0.00 0.02 0.00 0.00 55.97 55.00 1rxc s LYS 60 Cb 0.00 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1rxc s LYS 60 CO 0.00 0.60 1.21 -2.14 -0.92 0.00 0.00 175.35 174.10 1rxc s PRO 61 N -0.79 3.48 -0.06 -1.68 0.02 -1.26 -1.73 135.00 132.98 1rxc s PRO 61 Ca 0.12 1.88 -0.05 0.00 0.02 0.00 0.00 61.00 62.96 1rxc s PRO 61 Cb -0.10 -2.27 0.02 0.00 0.02 0.00 0.00 34.50 32.16 1rxc s PRO 61 CO 0.01 -0.81 0.15 0.08 -0.33 0.00 0.00 177.00 176.09 1rxc s VAL 62 N -1.51 -0.00 -0.05 3.83 1.01 -0.53 -4.41 120.40 118.72 1rxc s VAL 62 Ca 0.68 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 1rxc s VAL 62 Cb -0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1rxc s VAL 62 CO 0.37 0.00 0.22 -0.63 0.00 0.00 0.00 175.10 175.06 1rxc s ILE 63 N 0.12 5.37 -0.16 2.22 -1.09 -0.77 -1.47 121.20 125.42 1rxc s ILE 63 Ca -0.00 0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1rxc s ILE 63 Cb -0.01 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1rxc s ILE 63 CO -0.00 0.51 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.36 1rxc s VAL 64 N -1.14 1.82 -0.09 2.92 1.01 -0.61 -0.76 120.40 123.56 1rxc s VAL 64 Ca 0.21 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1rxc s VAL 64 Cb -0.13 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.63 1rxc s VAL 64 CO 0.10 0.50 0.17 0.00 0.00 0.00 0.00 175.10 175.87 1rxc s SER 66 N 2.11 6.99 -0.04 0.00 1.04 -0.53 -3.80 113.70 119.47 1rxc s SER 66 Ca 0.01 2.19 0.22 0.00 0.48 0.00 0.00 55.95 58.85 1rxc s SER 66 Cb -0.12 -2.61 -0.33 0.00 0.10 0.00 0.00 66.02 63.06 1rxc s SER 66 CO -0.06 -0.34 0.46 0.35 0.98 0.00 0.00 173.24 174.63 1rxc n THR 67 N 0.58 0.12 -1.00 2.02 -2.24 -0.56 -4.39 114.28 108.81 1rxc n THR 67 Ca 0.02 -0.53 0.02 0.00 -2.27 0.00 0.00 64.05 61.29 1rxc n THR 67 Cb 0.47 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.30 -2.18 3.69 3.38 0.00 -0.52 -3.29 105.19 107.56 1rxc n GLY 68 Ca -0.06 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.89 4.93 0.00 -0.61 1.01 -1.26 -4.66 121.20 119.72 1rxc s ILE 69 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.29 1rxc s ILE 69 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1rxc s ILE 69 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1rxc n GLY 70 N 3.26 2.90 0.36 6.18 0.00 -1.26 -4.65 105.19 111.98 1rxc n GLY 70 Ca 0.03 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 1.19 0.88 -0.02 0.00 -1.86 -2.33 103.07 100.93 1rxc h GLY 71 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1rxc h GLY 71 CO 0.00 0.40 -0.25 -2.55 0.00 0.00 0.00 176.54 174.14 1rxc h PRO 72 N 1.10 -0.61 0.00 4.80 0.11 -1.95 0.49 132.00 135.95 1rxc h PRO 72 Ca 0.32 0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.37 1rxc h PRO 72 Cb -0.06 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1rxc h PRO 72 CO -0.08 -0.40 -0.47 0.66 -0.21 0.00 0.00 178.00 177.50 1rxc h SER 73 N -0.63 0.00 -0.83 -2.05 4.64 -1.80 -2.70 113.55 110.18 1rxc h SER 73 Ca -0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1rxc h SER 73 Cb 0.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 1rxc h SER 73 CO 0.04 0.47 0.40 0.74 -0.87 0.00 0.00 176.83 177.61 1rxc h THR 74 N 0.00 1.26 -0.02 2.95 2.02 -1.17 -2.49 112.91 115.46 1rxc h THR 74 Ca -0.00 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 1rxc h THR 74 Cb 0.84 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1rxc h THR 74 CO 0.06 0.31 -0.30 0.77 0.37 0.00 0.00 175.52 176.72 1rxc h SER 75 N 1.18 0.04 -0.11 4.18 4.64 0.30 -1.60 113.55 122.17 1rxc h SER 75 Ca 0.28 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 1rxc h SER 75 Cb 0.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1rxc h SER 75 CO -0.04 0.34 -0.21 0.40 -0.87 0.00 0.00 176.83 176.45 1rxc h ILE 76 N 0.04 1.38 -0.33 0.95 2.04 -1.26 -2.76 117.51 117.58 1rxc h ILE 76 Ca 0.00 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1rxc h ILE 76 Cb 0.56 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1rxc h ILE 76 CO 0.04 0.43 0.11 0.00 0.00 0.00 0.00 178.15 178.73 1rxc h ALA 77 N 0.53 0.43 -0.58 1.87 0.00 -1.20 -2.11 119.26 118.20 1rxc h ALA 77 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1rxc h ALA 77 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1rxc h ALA 77 CO 0.05 0.05 0.03 0.28 0.00 0.00 0.00 179.25 179.66 1rxc h VAL 78 N 0.37 1.26 -0.34 0.00 2.07 -1.39 -1.17 116.25 117.05 1rxc h VAL 78 Ca 0.11 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1rxc h VAL 78 Cb 0.23 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rxc h VAL 78 CO -0.00 0.39 0.02 -0.08 0.02 0.00 0.00 177.57 177.92 1rxc h GLU 79 N 0.89 0.58 0.00 1.57 4.57 -1.42 -1.01 114.58 119.75 1rxc h GLU 79 Ca 0.17 -0.17 -0.24 0.00 -1.18 0.00 0.00 59.36 57.94 1rxc h GLU 79 Cb 0.51 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1rxc h GLU 79 CO 0.02 0.69 -0.97 0.93 -1.18 0.00 0.00 179.01 178.50 1rxc h GLU 80 N 0.39 0.48 -0.70 1.92 5.08 -1.33 -0.41 114.58 120.01 1rxc h GLU 80 Ca 0.10 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1rxc h GLU 80 Cb 0.41 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1rxc h GLU 80 CO 0.01 1.16 0.34 -0.07 -1.00 0.00 0.00 179.01 179.46 1rxc h LEU 81 N 0.27 0.91 -1.44 1.33 3.38 -1.25 -2.65 115.31 115.86 1rxc h LEU 81 Ca -0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1rxc h LEU 81 Cb 1.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1rxc h LEU 81 CO 0.17 0.79 0.08 0.00 0.09 0.00 0.00 178.44 179.57 1rxc h ALA 82 N 1.16 1.56 0.00 1.53 0.00 -0.83 -1.37 119.26 121.30 1rxc h ALA 82 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1rxc h ALA 82 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rxc h ALA 82 CO -0.03 0.34 -0.22 1.96 0.00 0.00 0.00 179.25 181.29 1rxc h GLN 83 N 0.45 0.00 -0.01 0.00 4.20 -0.75 -2.83 115.11 116.18 1rxc h GLN 83 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1rxc h GLN 83 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1rxc h GLN 83 CO -0.00 0.22 -0.26 1.28 -0.67 0.00 0.00 178.83 179.40 1rxc n LEU 84 N -4.08 1.03 0.00 1.46 4.77 -0.58 -4.94 117.00 114.65 1rxc n LEU 84 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1rxc n LEU 84 Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rxc n LEU 84 CO 0.35 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1rxc n GLY 85 N 1.34 1.05 3.69 -0.72 0.00 -0.90 -4.83 105.19 104.82 1rxc n GLY 85 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 4.13 -0.22 -0.61 -1.09 -0.82 -4.44 121.20 116.15 1rxc s ILE 86 Ca 0.00 1.47 0.08 0.00 -2.23 0.00 0.00 60.65 59.97 1rxc s ILE 86 Cb 0.00 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 1rxc s ILE 86 CO 0.00 -0.00 0.27 0.54 -1.23 0.00 0.00 174.94 174.51 1rxc n ARG 87 N 5.27 2.55 -4.52 2.79 5.12 0.04 -4.22 116.66 123.70 1rxc n ARG 87 Ca 0.11 -0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 1rxc n ARG 87 Cb 0.46 -1.02 -0.16 0.00 -1.16 0.00 0.00 32.46 30.58 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 -2.11 0.98 -0.09 0.55 2.01 -0.51 -1.39 115.64 115.07 1rxc s THR 88 Ca 0.00 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1rxc s THR 88 Cb 0.06 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.72 1rxc s THR 88 CO 0.33 0.30 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.16 1rxc s PHE 89 N 0.28 1.18 -0.31 4.92 0.08 -0.06 -1.14 117.98 122.92 1rxc s PHE 89 Ca -0.06 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.48 1rxc s PHE 89 Cb -0.11 -1.06 0.07 0.00 -0.57 0.00 0.00 43.02 41.35 1rxc s PHE 89 CO 0.01 -0.43 0.01 -0.51 -0.10 0.00 0.00 175.22 174.20 1rxc s LEU 90 N 1.73 4.13 0.12 -0.37 1.43 -0.51 -1.89 118.68 123.33 1rxc s LEU 90 Ca 0.04 -1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 51.24 1rxc s LEU 90 Cb -0.13 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1rxc s LEU 90 CO -0.06 -0.30 0.96 -0.60 0.23 0.00 0.00 176.35 176.57 1rxc s ARG 91 N 1.12 4.70 -0.15 1.70 3.52 -0.43 -0.60 118.95 128.82 1rxc s ARG 91 Ca -0.01 1.46 0.02 0.00 -0.13 0.00 0.00 55.73 57.07 1rxc s ARG 91 Cb -0.20 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1rxc s ARG 91 CO -0.04 0.22 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.96 1rxc s ILE 92 N -0.05 2.09 0.31 4.11 1.10 -1.21 -1.77 121.20 125.77 1rxc s ILE 92 Ca 0.47 -0.96 0.06 0.00 -0.51 0.00 0.00 60.65 59.70 1rxc s ILE 92 Cb -0.24 -1.84 -0.02 0.00 0.15 0.00 0.00 42.46 40.51 1rxc s ILE 92 CO 0.30 0.55 0.21 0.61 -2.11 0.00 0.00 174.94 174.49 1rxc n GLY 93 N 4.17 3.16 3.61 1.50 0.00 -0.72 -4.07 105.19 112.84 1rxc n GLY 93 Ca -0.20 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.07 3.35 0.05 2.61 -4.23 -1.26 -2.04 115.64 111.05 1rxc s THR 94 Ca 0.29 -1.69 -0.22 0.00 -1.18 0.00 0.00 61.69 58.89 1rxc s THR 94 Cb 0.01 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.21 1rxc s THR 94 CO 0.21 -0.18 0.52 0.28 -0.54 0.00 0.00 174.62 174.90 1rxc s THR 95 N -1.88 0.03 -0.34 3.99 -1.32 -0.90 -4.89 115.64 110.32 1rxc s THR 95 Ca 0.27 -0.25 -0.10 0.00 -1.21 0.00 0.00 61.69 60.40 1rxc s THR 95 Cb -0.08 -0.98 0.01 0.00 -1.51 0.00 0.00 72.50 69.94 1rxc s THR 95 CO 0.17 -0.14 0.17 -0.83 -2.21 0.00 0.00 174.62 171.78 1rxc s GLY 96 N -2.02 1.89 0.47 6.08 0.00 -1.09 -1.96 107.32 110.68 1rxc s GLY 96 Ca -0.05 -1.58 -0.22 0.00 0.00 0.00 0.00 44.72 42.87 1rxc s GLY 96 CO -0.02 0.77 1.10 0.00 0.00 0.00 0.00 173.10 174.95 1rxc s ALA 97 N 1.56 2.93 -0.04 3.20 0.00 -0.90 -0.67 121.76 127.84 1rxc s ALA 97 Ca 0.03 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1rxc s ALA 97 Cb -0.18 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 19.71 1rxc s ALA 97 CO 0.06 -0.49 1.02 0.44 0.00 0.00 0.00 175.76 176.79 1rxc n ILE 98 N -0.64 1.20 -4.71 0.00 -5.35 -0.63 -0.61 119.36 108.63 1rxc n ILE 98 Ca 0.08 -1.33 -0.33 0.00 -0.27 0.00 0.00 62.75 60.90 1rxc n ILE 98 Cb 0.50 0.28 -0.13 0.00 -1.74 0.00 0.00 39.64 38.55 1rxc n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxc s GLN 99 N -1.53 3.09 0.54 6.28 -1.52 -1.25 -4.83 119.66 120.43 1rxc s GLN 99 Ca 0.11 -0.63 0.32 0.00 -1.95 0.00 0.00 55.36 53.21 1rxc s GLN 99 Cb 0.09 -2.61 1.43 0.00 -0.22 0.00 0.00 33.01 31.70 1rxc s GLN 99 CO 0.01 0.41 2.02 -1.00 -0.25 0.00 0.00 175.29 176.48 1rxc h PRO 100 N 6.07 0.00 0.00 2.91 0.13 -1.97 -2.89 132.00 136.25 1rxc h PRO 100 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1rxc h PRO 100 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rxc h PRO 100 CO 0.55 0.08 -0.26 -2.39 -0.23 0.00 0.00 178.00 175.74 1rxc n HIS 101 N -3.27 0.38 -3.19 1.56 1.44 -1.26 -4.80 115.22 106.08 1rxc n HIS 101 Ca -0.00 0.11 -0.39 0.00 -2.01 0.00 0.00 57.72 55.42 1rxc n HIS 101 Cb 0.29 -0.60 -0.06 0.00 0.12 0.00 0.00 29.99 29.74 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 -3.07 5.10 0.17 0.61 1.01 -1.09 -5.06 121.20 118.87 1rxc s ILE 102 Ca 0.11 1.14 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1rxc s ILE 102 Cb 0.16 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1rxc s ILE 102 CO 0.63 0.24 0.09 0.20 0.00 0.00 0.00 174.94 176.10 1rxc s ASN 103 N 0.86 5.26 0.27 3.58 0.02 -1.26 -4.87 114.94 118.79 1rxc s ASN 103 Ca 0.30 -0.23 -0.30 0.00 -1.02 0.00 0.00 52.86 51.60 1rxc s ASN 103 Cb -0.16 -1.29 -0.13 0.00 0.02 0.00 0.00 41.25 39.69 1rxc s ASN 103 CO 0.12 0.07 1.35 0.52 0.02 0.00 0.00 177.10 179.18 1rxc n VAL 104 N -0.32 1.29 0.00 1.60 0.31 -1.26 -1.09 118.33 118.86 1rxc n VAL 104 Ca -0.09 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1rxc n VAL 104 Cb 0.55 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1rxc n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxc n GLY 105 N 1.73 3.35 3.77 2.92 0.00 -0.19 -5.00 105.19 111.77 1rxc n GLY 105 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.93 4.79 -0.08 1.61 -0.00 -0.25 -4.71 116.67 117.11 1rxc s ASP 106 Ca 0.00 1.87 0.02 0.00 -0.00 0.00 0.00 52.55 54.44 1rxc s ASP 106 Cb 0.00 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.37 1rxc s ASP 106 CO 0.00 -1.84 -0.14 -0.69 -0.00 0.00 0.00 175.17 172.50 1rxc s VAL 107 N -2.71 3.05 -0.15 -1.27 1.01 -0.78 -1.42 120.40 118.13 1rxc s VAL 107 Ca 0.63 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1rxc s VAL 107 Cb -0.18 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1rxc s VAL 107 CO 0.51 0.56 -0.20 -0.76 0.00 0.00 0.00 175.10 175.21 1rxc s LEU 108 N -0.27 2.06 -0.17 3.92 1.43 0.01 -1.63 118.68 124.03 1rxc s LEU 108 Ca 0.02 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1rxc s LEU 108 Cb -0.13 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1rxc s LEU 108 CO 0.03 0.03 0.05 -0.69 0.23 0.00 0.00 176.35 176.00 1rxc s VAL 109 N 1.06 4.67 -0.26 -1.59 1.01 -0.59 -1.13 120.40 123.59 1rxc s VAL 109 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1rxc s VAL 109 Cb -0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1rxc s VAL 109 CO -0.07 0.49 0.20 -0.89 0.00 0.00 0.00 175.10 174.83 1rxc s THR 110 N 0.16 5.32 -0.02 3.92 2.01 -0.66 -2.43 115.64 123.94 1rxc s THR 110 Ca 0.04 0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1rxc s THR 110 Cb -0.12 -3.54 -0.30 0.00 0.01 0.00 0.00 72.50 68.54 1rxc s THR 110 CO 0.01 0.28 0.79 0.71 -0.69 0.00 0.00 174.62 175.73 1rxc h THR 111 N 5.20 1.07 -2.65 -0.82 1.35 -1.44 -3.40 112.91 112.22 1rxc h THR 111 Ca -0.36 -2.66 0.08 0.00 -0.55 0.00 0.00 66.41 62.92 1rxc h THR 111 Cb 1.18 2.80 -0.11 0.00 -1.73 0.00 0.00 68.15 70.29 1rxc h THR 111 CO 0.61 0.84 0.35 0.00 -0.25 0.00 0.00 175.52 177.07 1rxc s ALA 112 N -2.60 -1.61 0.02 6.62 0.00 -1.26 -0.95 121.76 121.99 1rxc s ALA 112 Ca -0.12 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.33 1rxc s ALA 112 Cb 0.06 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1rxc s ALA 112 CO 0.87 -0.85 -0.19 -1.12 0.00 0.00 0.00 175.76 174.46 1rxc s SER 113 N -2.74 2.30 -0.11 0.00 0.01 -0.14 -2.13 113.70 110.89 1rxc s SER 113 Ca 0.06 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1rxc s SER 113 Cb -0.02 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1rxc s SER 113 CO -0.05 0.18 1.25 -0.69 0.41 0.00 0.00 173.24 174.34 1rxc s VAL 114 N -0.66 4.23 -1.16 3.43 1.01 0.12 -4.36 120.40 123.01 1rxc s VAL 114 Ca 0.07 1.53 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 1rxc s VAL 114 Cb -0.08 -3.98 0.10 0.00 0.00 0.00 0.00 36.38 32.42 1rxc s VAL 114 CO 0.01 -0.07 1.50 -0.13 0.00 0.00 0.00 175.10 176.41 1rxc s ARG 115 N 2.91 3.86 -0.59 2.72 0.52 -1.26 -1.59 118.95 125.51 1rxc s ARG 115 Ca 0.56 -1.90 -0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1rxc s ARG 115 Cb -0.24 -5.28 0.47 0.00 0.52 0.00 0.00 34.95 30.42 1rxc s ARG 115 CO 0.19 -2.05 1.89 1.28 0.02 0.00 0.00 175.30 176.62 1rxc n LEU 116 N 7.55 7.16 -4.50 2.53 4.77 -0.38 -4.96 117.00 129.16 1rxc n LEU 116 Ca 0.38 -4.31 -0.23 0.00 -0.03 0.00 0.00 56.01 51.82 1rxc n LEU 116 Cb 0.47 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.58 1rxc n LEU 116 CO 0.67 1.54 -0.27 1.51 -1.33 0.00 0.00 177.39 179.50 1rxc s ASP 117 N -2.08 2.78 -0.22 -1.43 -4.77 -1.22 -2.09 116.67 107.63 1rxc s ASP 117 Ca 0.62 -1.38 0.08 0.00 -3.30 0.00 0.00 52.55 48.57 1rxc s ASP 117 Cb 0.49 -0.17 -0.20 0.00 -1.09 0.00 0.00 42.92 41.95 1rxc s ASP 117 CO 0.01 -0.57 -0.07 0.61 0.70 0.00 0.00 175.17 175.85 1rxc n GLY 118 N -0.76 -0.62 0.23 2.12 0.00 -1.26 -4.66 105.19 100.24 1rxc n GLY 118 Ca -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.39 0.86 -0.89 4.61 0.00 -1.98 -2.63 119.26 119.62 1rxc h ALA 119 Ca -0.55 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.07 1rxc h ALA 119 Cb 2.03 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1rxc h ALA 119 CO -0.03 0.64 0.57 0.66 0.00 0.00 0.00 179.25 181.09 1rxc h SER 120 N 0.49 0.64 0.25 0.00 4.64 -1.85 0.19 113.55 117.91 1rxc h SER 120 Ca 0.05 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1rxc h SER 120 Cb 0.88 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1rxc h SER 120 CO 0.08 0.33 0.00 -0.07 -0.87 0.00 0.00 176.83 176.29 1rxc h LEU 121 N 0.68 0.00 0.00 5.97 3.38 -1.59 -1.58 115.31 122.17 1rxc h LEU 121 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1rxc h LEU 121 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1rxc h LEU 121 CO -0.20 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.74 1rxc n HIS 122 N -3.05 0.00 0.00 1.13 8.25 0.05 -3.94 115.22 117.66 1rxc n HIS 122 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1rxc n HIS 122 Cb 0.13 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.20 0.00 -3.69 4.41 3.72 -0.65 -5.09 117.46 114.96 1rxc n PHE 123 Ca 0.15 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.41 1rxc n PHE 123 Cb 0.18 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.93 -1.14 0.97 4.37 0.00 -0.88 -5.00 121.76 118.15 1rxc s ALA 124 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 1rxc s ALA 124 Cb 0.00 -0.20 0.17 0.00 0.00 0.00 0.00 23.12 23.09 1rxc s ALA 124 CO 0.00 -0.28 1.09 -1.25 0.00 0.00 0.00 175.76 175.32 1rxc s PRO 125 N -0.82 0.67 0.39 0.00 0.04 -1.26 -3.96 135.00 130.06 1rxc s PRO 125 Ca -0.09 1.06 0.14 0.00 0.04 0.00 0.00 61.00 62.14 1rxc s PRO 125 Cb -0.03 -1.72 0.97 0.00 0.04 0.00 0.00 34.50 33.75 1rxc s PRO 125 CO 0.05 -2.71 1.86 1.25 0.04 0.00 0.00 177.00 177.48 1rxc h LEU 126 N -1.90 0.51 -2.12 -3.56 5.85 -1.94 -1.97 115.31 110.18 1rxc h LEU 126 Ca -0.50 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1rxc h LEU 126 Cb 1.29 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rxc h LEU 126 CO 0.50 0.23 -0.07 1.05 -0.34 0.00 0.00 178.44 179.80 1rxc h GLU 127 N 0.53 0.00 -6.60 1.25 9.09 -2.03 -3.43 114.58 113.39 1rxc h GLU 127 Ca 0.46 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.34 1rxc h GLU 127 Cb 0.97 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.10 1rxc h GLU 127 CO -0.20 0.07 0.68 0.12 0.05 0.00 0.00 179.01 179.74 1rxc s PHE 128 N -4.19 3.26 -0.01 2.06 5.36 -0.74 -4.98 117.98 118.75 1rxc s PHE 128 Ca -0.03 1.09 -0.30 0.00 -0.96 0.00 0.00 56.93 56.73 1rxc s PHE 128 Cb 0.13 -3.63 -0.04 0.00 -0.34 0.00 0.00 43.02 39.14 1rxc s PHE 128 CO 0.55 -2.09 1.15 -1.25 -1.46 0.00 0.00 175.22 172.11 1rxc s PRO 129 N 0.59 4.42 -1.12 10.12 0.04 -1.26 -4.93 135.00 142.87 1rxc s PRO 129 Ca 0.61 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 63.12 1rxc s PRO 129 Cb -0.36 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.65 1rxc s PRO 129 CO 0.33 -0.30 2.12 0.00 0.04 0.00 0.00 177.00 179.19 1rxc n ALA 130 N 4.49 4.57 -2.79 8.56 0.00 -1.26 -4.79 120.51 129.30 1rxc n ALA 130 Ca 0.09 -3.50 -0.36 0.00 0.00 0.00 0.00 53.44 49.67 1rxc n ALA 130 Cb 0.47 -3.55 -0.08 0.00 0.00 0.00 0.00 19.45 16.30 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 3.99 4.95 0.48 0.00 0.11 -1.26 -0.97 120.40 127.70 1rxc s VAL 131 Ca 0.52 -0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.37 1rxc s VAL 131 Cb 0.14 -3.13 -0.09 0.00 -1.53 0.00 0.00 36.38 31.78 1rxc s VAL 131 CO 0.01 0.61 1.03 0.00 -3.33 0.00 0.00 175.10 173.42 1rxc s ALA 132 N -0.93 2.90 0.35 1.54 0.00 -0.13 -4.69 121.76 120.79 1rxc s ALA 132 Ca 0.14 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1rxc s ALA 132 Cb -0.12 -3.25 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 1rxc s ALA 132 CO 0.03 -0.27 1.53 -3.47 0.00 0.00 0.00 175.76 173.59 1rxc n ASP 133 N -0.89 3.87 -0.16 0.00 -0.08 -0.22 -4.94 116.55 114.13 1rxc n ASP 133 Ca 0.09 1.20 -0.10 0.00 -1.51 0.00 0.00 54.79 54.47 1rxc n ASP 133 Cb 0.52 -1.62 0.03 0.00 2.34 0.00 0.00 41.12 42.40 1rxc n ASP 133 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1rxc h PHE 134 N 3.59 1.09 -0.63 -0.67 3.04 -1.95 -2.28 116.94 119.13 1rxc h PHE 134 Ca -0.50 -0.24 -0.08 0.00 3.98 0.00 0.00 57.97 61.13 1rxc h PHE 134 Cb 1.23 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1rxc h PHE 134 CO 0.55 1.04 0.08 0.93 -2.02 0.00 0.00 178.31 178.89 1rxc h GLU 135 N 0.85 1.06 -0.25 1.11 5.08 -1.96 -1.62 114.58 118.85 1rxc h GLU 135 Ca 0.12 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1rxc h GLU 135 Cb 0.72 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1rxc h GLU 135 CO 0.06 1.00 0.02 0.00 -1.00 0.00 0.00 179.01 179.08 1rxc h THR 137 N 0.22 0.97 -0.42 0.00 2.02 -1.40 -1.28 112.91 113.01 1rxc h THR 137 Ca 0.07 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1rxc h THR 137 Cb 0.38 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 67.66 1rxc h THR 137 CO 0.01 0.00 -0.16 0.74 0.37 0.00 0.00 175.52 176.49 1rxc h THR 138 N 0.02 0.48 -0.27 3.16 2.02 -1.13 0.48 112.91 117.66 1rxc h THR 138 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1rxc h THR 138 Cb 0.03 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1rxc h THR 138 CO -0.04 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.77 1rxc h ALA 139 N 1.30 1.35 -0.15 6.16 0.00 -0.78 -0.98 119.26 126.16 1rxc h ALA 139 Ca 0.21 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1rxc h ALA 139 Cb 0.38 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rxc h ALA 139 CO -0.47 0.44 -0.54 -0.07 0.00 0.00 0.00 179.25 178.60 1rxc h LEU 140 N 0.42 0.73 -0.49 0.00 3.38 -0.61 -1.36 115.31 117.38 1rxc h LEU 140 Ca 0.08 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1rxc h LEU 140 Cb 0.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1rxc h LEU 140 CO 0.02 1.22 0.26 0.58 0.09 0.00 0.00 178.44 180.61 1rxc h VAL 141 N 0.29 1.17 -0.04 1.22 2.07 -0.71 -1.90 116.25 118.35 1rxc h VAL 141 Ca -0.03 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1rxc h VAL 141 Cb 1.17 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1rxc h VAL 141 CO 0.11 0.19 -0.61 -0.33 0.02 0.00 0.00 177.57 176.95 1rxc h GLU 142 N 0.64 0.15 -0.23 1.57 5.08 -1.20 -2.12 114.58 118.47 1rxc h GLU 142 Ca 0.17 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1rxc h GLU 142 Cb 0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rxc h GLU 142 CO -0.03 0.72 0.06 0.00 -1.00 0.00 0.00 179.01 178.76 1rxc h ALA 143 N 1.26 0.31 -0.32 3.43 0.00 -1.14 -1.91 119.26 120.88 1rxc h ALA 143 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rxc h ALA 143 Cb 1.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1rxc h ALA 143 CO 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.42 1rxc h ALA 144 N 0.87 0.38 -0.37 0.00 0.00 -1.16 -1.92 119.26 117.07 1rxc h ALA 144 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rxc h ALA 144 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1rxc h ALA 144 CO 0.00 -0.27 0.19 -0.22 0.00 0.00 0.00 179.25 178.96 1rxc h LYS 145 N 0.27 0.51 0.00 0.00 3.64 -1.33 -2.14 116.57 117.53 1rxc h LYS 145 Ca 0.14 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1rxc h LYS 145 Cb 0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1rxc h LYS 145 CO -0.13 0.39 -0.21 0.66 -2.27 0.00 0.00 179.45 177.88 1rxc h SER 146 N 0.52 0.00 -0.46 4.20 4.64 -0.55 -2.77 113.55 119.13 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1rxc h SER 146 CO -0.02 0.21 0.00 2.30 -0.87 0.00 0.00 176.83 178.45 1rxc n ILE 147 N -3.25 0.80 -1.11 0.95 -5.35 -1.02 -5.00 119.36 105.39 1rxc n ILE 147 Ca 0.01 -0.90 -0.04 0.00 -0.27 0.00 0.00 62.75 61.55 1rxc n ILE 147 Cb 0.50 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 39.05 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 1.12 0.66 3.77 3.28 0.00 -0.85 -5.01 105.19 108.16 1rxc n GLY 148 Ca 0.17 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.05 2.83 -0.42 4.61 0.00 -0.94 -4.96 121.76 120.83 1rxc s ALA 149 Ca 0.00 0.97 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 1rxc s ALA 149 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1rxc s ALA 149 CO 0.00 -0.84 1.02 -0.08 0.00 0.00 0.00 175.76 175.86 1rxc s THR 150 N -1.57 4.42 -0.01 0.00 -1.32 -1.26 -4.70 115.64 111.20 1rxc s THR 150 Ca 0.68 1.19 0.06 0.00 -1.21 0.00 0.00 61.69 62.42 1rxc s THR 150 Cb -0.29 -4.46 -0.03 0.00 -1.51 0.00 0.00 72.50 66.21 1rxc s THR 150 CO 0.34 -0.75 -0.20 -0.89 -2.21 0.00 0.00 174.62 170.91 1rxc s THR 151 N 3.89 2.62 0.00 5.08 2.01 -1.26 -1.87 115.64 126.11 1rxc s THR 151 Ca 0.42 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1rxc s THR 151 Cb -0.10 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1rxc s THR 151 CO 0.24 0.50 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.47 1rxc s HIS 152 N -0.76 1.75 -0.16 4.92 3.76 -0.65 -4.98 115.29 119.17 1rxc s HIS 152 Ca 0.12 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1rxc s HIS 152 Cb -0.10 -1.10 0.04 0.00 1.11 0.00 0.00 32.58 32.52 1rxc s HIS 152 CO 0.02 0.00 -0.08 0.08 -0.85 0.00 0.00 174.74 173.91 1rxc s VAL 153 N -0.56 1.25 0.00 -0.90 1.01 -1.26 -1.54 120.40 118.40 1rxc s VAL 153 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1rxc s VAL 153 Cb -0.08 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1rxc s VAL 153 CO -0.00 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1rxc n GLY 154 N 4.84 1.00 3.83 4.51 0.00 -1.02 -4.97 105.19 113.39 1rxc n GLY 154 Ca -0.13 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.11 4.68 0.07 1.61 1.01 -1.26 -1.08 120.40 124.33 1rxc s VAL 155 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1rxc s VAL 155 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1rxc s VAL 155 CO 0.00 0.11 -0.22 -0.89 0.00 0.00 0.00 175.10 174.10 1rxc s THR 156 N -1.64 1.77 -0.23 3.92 2.01 -0.90 -1.18 115.64 119.39 1rxc s THR 156 Ca 0.45 -1.36 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 1rxc s THR 156 Cb -0.14 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1rxc s THR 156 CO 0.20 0.14 0.15 0.00 -0.69 0.00 0.00 174.62 174.41 1rxc s ALA 157 N -0.92 3.62 -0.27 7.40 0.00 0.06 0.14 121.76 131.79 1rxc s ALA 157 Ca 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1rxc s ALA 157 Cb -0.09 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1rxc s ALA 157 CO 0.03 -0.08 -0.07 0.45 0.00 0.00 0.00 175.76 176.08 1rxc s SER 158 N 0.84 4.54 -0.06 0.00 0.15 -0.62 -1.37 113.70 117.18 1rxc s SER 158 Ca 0.08 -1.29 0.04 0.00 0.70 0.00 0.00 55.95 55.48 1rxc s SER 158 Cb -0.13 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 1rxc s SER 158 CO 0.02 -0.20 -0.17 -0.55 1.20 0.00 0.00 173.24 173.54 1rxc s SER 159 N 1.18 3.74 0.00 5.45 0.15 0.14 -1.25 113.70 123.11 1rxc s SER 159 Ca -0.06 -0.31 0.17 0.00 0.70 0.00 0.00 55.95 56.45 1rxc s SER 159 Cb -0.19 -0.91 0.74 0.00 -1.71 0.00 0.00 66.02 63.95 1rxc s SER 159 CO -0.04 0.29 1.55 0.47 1.20 0.00 0.00 173.24 176.72 1rxc n ASP 160 N 2.64 0.00 -4.29 5.45 10.43 -0.89 -4.30 116.55 125.59 1rxc n ASP 160 Ca -0.17 0.49 -0.23 0.00 2.57 0.00 0.00 54.79 57.44 1rxc n ASP 160 Cb 0.52 -0.49 -0.12 0.00 1.84 0.00 0.00 41.12 42.87 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 -2.99 1.70 0.10 -3.53 -4.23 -1.26 -5.02 115.64 100.41 1rxc s THR 161 Ca 0.09 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1rxc s THR 161 Cb 0.11 -1.60 -0.22 0.00 1.34 0.00 0.00 72.50 72.13 1rxc s THR 161 CO 0.31 -0.14 1.24 0.15 -0.54 0.00 0.00 174.62 175.64 1rxc h PHE 162 N 3.88 0.69 0.00 3.99 3.57 -1.98 -3.38 116.94 123.70 1rxc h PHE 162 Ca -0.45 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 60.65 1rxc h PHE 162 Cb 1.19 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1rxc h PHE 162 CO 0.63 1.25 0.00 0.66 -2.23 0.00 0.00 178.31 178.62 1rxc n TYR 163 N -3.72 0.00 -0.05 0.41 4.02 -1.26 -4.21 117.16 112.35 1rxc n TYR 163 Ca -0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.80 1rxc n TYR 163 Cb 0.90 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.49 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 -1.88 -1.31 132.00 128.87 1rxc h PRO 164 Ca 0.00 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 1rxc h PRO 164 Cb 0.00 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.02 1rxc h PRO 164 CO 0.00 0.60 -0.19 0.78 -0.23 0.00 0.00 178.00 178.96 1rxc h GLY 165 N 0.86 0.00 -3.33 1.56 0.00 -1.85 -0.50 103.07 99.81 1rxc h GLY 165 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1rxc h GLY 165 CO -0.00 0.00 0.03 -1.06 0.00 0.00 0.00 176.54 175.51 1rxc n GLN 166 N -3.31 4.39 -4.24 4.80 6.02 -0.95 -4.96 117.38 119.14 1rxc n GLN 166 Ca 0.01 -2.83 -0.31 0.00 -0.01 0.00 0.00 57.00 53.85 1rxc n GLN 166 Cb 0.44 -2.19 -0.07 0.00 1.02 0.00 0.00 30.24 29.44 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 0.47 -1.76 -3.02 -1.09 2.13 -0.20 -4.93 120.64 112.25 1rxc n GLU 167 Ca 0.27 0.21 -0.40 0.00 0.66 0.00 0.00 57.16 57.90 1rxc n GLU 167 Cb 1.13 -4.10 -0.05 0.00 0.27 0.00 0.00 31.44 28.69 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 -7.10 4.47 -0.01 5.31 0.52 -0.53 -4.97 118.95 116.63 1rxc s ARG 168 Ca 0.16 1.01 0.16 0.00 -0.52 0.00 0.00 55.73 56.53 1rxc s ARG 168 Cb -0.09 -3.36 -0.20 0.00 0.52 0.00 0.00 34.95 31.82 1rxc s ARG 168 CO 0.97 0.29 0.56 0.66 0.02 0.00 0.00 175.30 177.79 1rxc n TYR 169 N 2.83 0.00 -2.11 -0.53 4.01 -1.26 -4.42 117.16 115.68 1rxc n TYR 169 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1rxc n TYR 169 Cb 0.50 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.61 4.46 -4.08 7.72 4.64 -1.26 -4.19 116.55 122.23 1rxc n ASP 170 Ca 0.01 -2.94 -0.18 0.00 -1.38 0.00 0.00 54.79 50.30 1rxc n ASP 170 Cb 0.31 -1.62 -0.09 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 2.47 0.38 0.18 5.18 -4.23 -1.26 -5.02 115.64 113.34 1rxc s THR 171 Ca 0.46 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.79 1rxc s THR 171 Cb 0.10 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.52 1rxc s THR 171 CO -0.03 0.00 1.64 0.22 -0.54 0.00 0.00 174.62 175.91 1rxc h TYR 172 N 2.27 -0.43 0.00 3.99 5.03 -1.99 -3.08 116.97 122.77 1rxc h TYR 172 Ca -0.35 0.05 -0.15 0.00 2.58 0.00 0.00 58.73 60.85 1rxc h TYR 172 Cb 1.25 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.76 1rxc h TYR 172 CO 0.87 -0.26 -1.13 0.66 -1.32 0.00 0.00 178.16 176.98 1rxc h SER 173 N -0.09 0.00 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.55 1rxc h SER 173 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1rxc h SER 173 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1rxc h SER 173 CO -0.49 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1rxc n GLY 174 N 1.35 0.72 3.43 -0.77 0.00 -1.16 -5.00 105.19 103.75 1rxc n GLY 174 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.20 1.60 -0.01 1.61 1.70 -1.26 -4.87 118.95 117.52 1rxc s ARG 175 Ca 0.00 -1.88 0.00 0.00 -0.47 0.00 0.00 55.73 53.39 1rxc s ARG 175 Cb 0.00 -0.84 0.02 0.00 -0.57 0.00 0.00 34.95 33.56 1rxc s ARG 175 CO 0.00 -0.17 0.01 0.08 -1.08 0.00 0.00 175.30 174.14 1rxc s VAL 176 N -3.31 0.05 0.44 4.99 1.01 -1.26 -4.91 120.40 117.41 1rxc s VAL 176 Ca 0.35 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1rxc s VAL 176 Cb 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 36.26 1rxc s VAL 176 CO 0.15 0.07 1.44 0.54 0.00 0.00 0.00 175.10 177.29 1rxc s VAL 177 N 0.58 2.05 0.27 2.92 0.11 -1.26 -4.58 120.40 120.49 1rxc s VAL 177 Ca -0.05 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1rxc s VAL 177 Cb -0.08 -3.03 0.38 0.00 -1.53 0.00 0.00 36.38 32.13 1rxc s VAL 177 CO -0.01 0.01 1.38 -1.14 -3.33 0.00 0.00 175.10 172.01 1rxc n ARG 178 N -0.13 -0.07 -0.24 1.54 0.63 -1.26 -0.48 116.66 116.64 1rxc n ARG 178 Ca 0.05 1.33 0.10 0.00 -0.92 0.00 0.00 57.85 58.40 1rxc n ARG 178 Cb 0.41 -2.10 0.36 0.00 0.45 0.00 0.00 32.46 31.59 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 0.82 -0.01 -0.14 2.76 -2.02 -2.71 115.15 113.85 1rxc h HIS 179 Ca 0.52 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 1rxc h HIS 179 Cb 1.03 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1rxc h HIS 179 CO -0.49 0.36 -0.68 1.19 -1.30 0.00 0.00 177.93 177.01 1rxc n PHE 180 N -4.53 0.00 -1.85 5.26 3.01 0.36 -4.79 117.46 114.92 1rxc n PHE 180 Ca 0.15 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 1rxc n PHE 180 Cb 0.37 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.82 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 -2.58 4.17 0.00 -1.08 1.02 -0.78 -1.82 119.74 118.68 1rxc s LYS 181 Ca 0.12 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.59 1rxc s LYS 181 Cb 0.16 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1rxc s LYS 181 CO 0.66 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1rxc n GLY 182 N 2.90 0.58 0.19 -3.33 0.00 -1.26 -4.92 105.19 99.34 1rxc n GLY 182 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1rxc n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxc h SER 183 N 0.00 0.72 -0.75 1.61 4.64 -1.67 -2.98 113.55 115.12 1rxc h SER 183 Ca 0.00 -0.61 0.12 0.00 -0.47 0.00 0.00 61.79 60.83 1rxc h SER 183 Cb 0.08 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 61.88 1rxc h SER 183 CO 0.00 1.21 0.35 -0.03 -0.87 0.00 0.00 176.83 177.49 1rxc h MET 184 N 0.27 0.54 -0.29 4.77 -1.53 -1.92 -1.34 114.93 115.44 1rxc h MET 184 Ca -0.03 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.11 1rxc h MET 184 Cb 1.16 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 32.08 1rxc h MET 184 CO 0.11 0.36 -0.20 1.49 0.14 0.00 0.00 176.91 178.81 1rxc h GLU 185 N 0.55 0.54 0.11 0.39 4.81 -1.96 -0.41 114.58 118.61 1rxc h GLU 185 Ca 0.39 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1rxc h GLU 185 Cb 0.51 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1rxc h GLU 185 CO -0.33 0.71 -0.05 0.93 -0.73 0.00 0.00 179.01 179.53 1rxc h GLU 186 N 0.48 -0.15 -0.77 1.92 4.39 -1.14 -1.69 114.58 117.62 1rxc h GLU 186 Ca 0.08 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1rxc h GLU 186 Cb 0.62 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1rxc h GLU 186 CO 0.04 0.09 0.51 -1.49 -1.16 0.00 0.00 179.01 177.00 1rxc h TRP 187 N -0.37 0.96 -0.37 4.33 -0.00 -1.12 -1.23 115.95 118.15 1rxc h TRP 187 Ca -0.02 0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.95 1rxc h TRP 187 Cb 0.31 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.16 29.09 1rxc h TRP 187 CO -0.00 0.60 0.07 1.96 -0.00 0.00 0.00 178.44 181.07 1rxc h GLN 188 N 1.03 0.19 0.00 0.49 4.20 -1.02 -1.43 115.11 118.58 1rxc h GLN 188 Ca 0.29 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1rxc h GLN 188 Cb -0.10 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1rxc h GLN 188 CO -0.07 0.13 -0.16 0.00 -0.67 0.00 0.00 178.83 178.06 1rxc h ALA 189 N 1.27 1.04 -0.05 3.87 0.00 -0.80 -1.99 119.26 122.61 1rxc h ALA 189 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxc h ALA 189 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rxc h ALA 189 CO -0.23 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 1rxc n MET 190 N -3.34 1.44 -0.80 0.00 2.81 -0.51 -4.93 117.12 111.79 1rxc n MET 190 Ca 0.00 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1rxc n MET 190 Cb 0.38 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.07 0.57 3.74 3.03 0.00 -0.75 -5.02 105.19 107.83 1rxc n GLY 191 Ca 0.19 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1rxc n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 192 N -2.00 2.73 0.02 1.61 1.01 -0.62 -4.62 120.40 118.52 1rxc s VAL 192 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1rxc s VAL 192 Cb 0.00 -3.38 -0.30 0.00 0.00 0.00 0.00 36.38 32.70 1rxc s VAL 192 CO 0.00 0.09 0.94 0.24 0.00 0.00 0.00 175.10 176.37 1rxc h MET 193 N 5.36 0.34 -2.71 2.72 0.00 -1.48 -3.42 114.93 115.74 1rxc h MET 193 Ca -0.45 -0.58 0.10 0.00 0.00 0.00 0.00 59.70 58.77 1rxc h MET 193 Cb 1.22 0.22 -0.08 0.00 0.00 0.00 0.00 31.60 32.95 1rxc h MET 193 CO 0.80 1.24 0.34 0.54 0.00 0.00 0.00 176.91 179.83 1rxc s ASN 194 N -7.20 -0.28 -0.10 1.22 4.22 -1.26 -1.60 114.94 109.94 1rxc s ASN 194 Ca -0.09 -0.41 -0.02 0.00 -2.14 0.00 0.00 52.86 50.21 1rxc s ASN 194 Cb 0.06 0.60 -0.03 0.00 1.28 0.00 0.00 41.25 43.16 1rxc s ASN 194 CO 0.88 -1.08 -0.02 -0.31 -2.04 0.00 0.00 177.10 174.53 1rxc s TYR 195 N -3.61 3.10 0.00 1.54 1.51 0.16 -0.76 117.35 119.29 1rxc s TYR 195 Ca 0.10 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 1rxc s TYR 195 Cb -0.03 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1rxc s TYR 195 CO 0.01 0.35 0.00 -0.85 -1.11 0.00 0.00 175.55 173.96 1rxc n GLU 196 N 2.42 0.00 0.00 -0.62 -0.00 -0.47 -2.68 120.64 119.29 1rxc n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1rxc n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxc n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxc n MET 197 N 0.00 2.26 0.00 3.44 2.81 -1.26 -0.68 117.12 123.69 1rxc n MET 197 Ca 0.00 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1rxc n MET 197 Cb 0.00 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 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 -0.35 1.40 0.03 0.03 4.71 -1.26 -3.74 120.64 121.46 1rxc n GLU 198 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1rxc n GLU 198 Cb 0.04 -0.88 0.23 0.00 -1.01 0.00 0.00 31.44 29.82 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 0.44 -0.56 1.62 4.64 -1.95 -2.33 113.55 115.41 1rxc h SER 199 Ca 0.00 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1rxc h SER 199 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1rxc h SER 199 CO 0.00 0.68 0.18 0.00 -0.87 0.00 0.00 176.83 176.82 1rxc h ALA 200 N 1.36 1.18 0.20 5.18 0.00 -1.88 0.14 119.26 125.44 1rxc h ALA 200 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rxc h ALA 200 Cb 0.63 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rxc h ALA 200 CO 0.04 0.57 -0.09 1.15 0.00 0.00 0.00 179.25 180.92 1rxc h THR 201 N 0.89 0.80 0.02 0.00 2.02 -1.86 -2.33 112.91 112.45 1rxc h THR 201 Ca 0.20 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.40 1rxc h THR 201 Cb 0.27 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1rxc h THR 201 CO -0.01 0.19 -0.37 0.25 0.37 0.00 0.00 175.52 175.96 1rxc h LEU 202 N -0.84 -1.11 -0.50 2.58 5.85 -1.34 -0.16 115.31 119.79 1rxc h LEU 202 Ca -0.03 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1rxc h LEU 202 Cb 0.52 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1rxc h LEU 202 CO 0.04 -0.43 0.18 -0.07 -0.34 0.00 0.00 178.44 177.82 1rxc h LEU 203 N -0.54 0.71 -0.47 2.25 3.38 -1.07 -1.82 115.31 117.75 1rxc h LEU 203 Ca 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1rxc h LEU 203 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1rxc h LEU 203 CO -0.28 0.71 0.10 0.74 0.09 0.00 0.00 178.44 179.80 1rxc h THR 204 N 0.68 1.24 0.00 0.22 2.02 -1.25 -0.48 112.91 115.34 1rxc h THR 204 Ca 0.16 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1rxc h THR 204 Cb 0.24 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1rxc h THR 204 CO -0.01 0.31 -0.23 0.00 0.37 0.00 0.00 175.52 175.96 1rxc h MET 205 N 0.64 0.00 0.01 6.66 -0.00 -0.87 -2.49 114.93 118.89 1rxc h MET 205 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.75 1rxc h MET 205 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.95 1rxc h MET 205 CO 0.01 0.23 -0.50 0.00 -0.00 0.00 0.00 176.91 176.64 1rxc h ALA 207 N -0.14 1.03 -0.02 0.00 0.00 -1.11 -1.35 119.26 117.66 1rxc h ALA 207 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rxc h ALA 207 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rxc h ALA 207 CO -0.05 0.01 -0.19 -1.13 0.00 0.00 0.00 179.25 177.90 1rxc n SER 208 N -3.14 2.30 -0.21 0.00 3.41 -0.94 -4.42 113.62 110.62 1rxc n SER 208 Ca -0.01 -1.67 0.04 0.00 -0.26 0.00 0.00 58.87 56.96 1rxc n SER 208 Cb 0.18 0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.55 0.85 -1.00 4.33 6.02 -0.72 -5.01 117.38 122.40 1rxc n GLN 209 Ca 0.13 -1.55 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 1rxc n GLN 209 Cb 0.50 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.84 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 -0.57 0.68 3.89 1.08 0.00 -1.02 -5.03 105.19 104.22 1rxc n GLY 210 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 4.33 -0.05 0.99 1.43 -0.59 -5.04 118.68 119.75 1rxc s LEU 211 Ca 0.00 0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1rxc s LEU 211 Cb 0.00 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 1rxc s LEU 211 CO 0.00 0.15 0.46 -0.13 0.23 0.00 0.00 176.35 177.07 1rxc s ARG 212 N -2.21 4.18 -0.02 1.70 0.52 -0.49 -3.85 118.95 118.79 1rxc s ARG 212 Ca 0.34 0.47 -0.05 0.00 -0.52 0.00 0.00 55.73 55.97 1rxc s ARG 212 Cb -0.13 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.01 1rxc s ARG 212 CO 0.21 0.40 0.11 0.00 0.02 0.00 0.00 175.30 176.05 1rxc s ALA 213 N -0.19 -0.27 0.05 2.13 0.00 -1.26 -0.89 121.76 121.34 1rxc s ALA 213 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1rxc s ALA 213 Cb -0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1rxc s ALA 213 CO 0.12 -0.14 0.00 0.20 0.00 0.00 0.00 175.76 175.95 1rxc s GLY 214 N -0.75 0.36 -0.04 0.00 0.00 -0.79 -1.05 107.32 105.06 1rxc s GLY 214 Ca -0.08 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1rxc s GLY 214 CO 0.01 -1.09 -0.05 1.06 0.00 0.00 0.00 173.10 173.03 1rxc s MET 215 N -3.37 0.78 0.04 2.90 -1.94 -1.26 -1.31 119.30 115.13 1rxc s MET 215 Ca 0.02 -0.12 0.01 0.00 -1.71 0.00 0.00 55.69 53.89 1rxc s MET 215 Cb 0.04 -0.78 -0.02 0.00 2.01 0.00 0.00 34.83 36.08 1rxc s MET 215 CO -0.08 -0.05 -0.06 0.54 -0.01 0.00 0.00 175.02 175.36 1rxc s VAL 216 N 0.76 0.38 -0.06 -6.03 0.11 -0.73 -1.65 120.40 113.18 1rxc s VAL 216 Ca -0.10 -1.07 -0.25 0.00 -2.93 0.00 0.00 61.98 57.63 1rxc s VAL 216 Cb -0.13 -0.54 0.06 0.00 -1.53 0.00 0.00 36.38 34.23 1rxc s VAL 216 CO 0.00 -0.46 0.56 0.00 -3.33 0.00 0.00 175.10 171.88 1rxc s ALA 217 N -1.55 -1.45 -0.05 1.54 0.00 -0.28 -1.75 121.76 118.22 1rxc s ALA 217 Ca -0.11 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1rxc s ALA 217 Cb -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1rxc s ALA 217 CO -0.01 -0.33 0.33 0.20 0.00 0.00 0.00 175.76 175.96 1rxc s GLY 218 N -1.04 2.37 -0.39 0.00 0.00 -0.87 -0.81 107.32 106.59 1rxc s GLY 218 Ca -0.10 -0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.03 1rxc s GLY 218 CO 0.07 0.05 0.87 0.14 0.00 0.00 0.00 173.10 174.24 1rxc s VAL 219 N -0.89 4.62 -0.37 1.40 1.01 -0.50 -2.12 120.40 123.55 1rxc s VAL 219 Ca 0.21 0.95 0.21 0.00 0.00 0.00 0.00 61.98 63.34 1rxc s VAL 219 Cb -0.15 -4.31 -0.29 0.00 0.00 0.00 0.00 36.38 31.63 1rxc s VAL 219 CO 0.10 -0.58 0.60 2.30 0.00 0.00 0.00 175.10 177.53 1rxc n ILE 220 N 6.02 0.00 -3.81 2.22 -5.35 -0.83 -1.03 119.36 116.58 1rxc n ILE 220 Ca 0.05 -0.31 -0.09 0.00 -0.27 0.00 0.00 62.75 62.13 1rxc n ILE 220 Cb 0.48 0.38 -0.07 0.00 -1.74 0.00 0.00 39.64 38.70 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 -3.25 0.13 -0.23 7.28 0.11 -1.24 -4.36 120.40 118.84 1rxc s VAL 221 Ca -0.02 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 57.99 1rxc s VAL 221 Cb 0.14 -1.30 0.06 0.00 -1.53 0.00 0.00 36.38 33.75 1rxc s VAL 221 CO 0.85 -0.58 -0.09 0.21 -3.33 0.00 0.00 175.10 172.17 1rxc s ASN 222 N -2.83 3.95 0.00 3.54 3.84 -1.26 -2.11 114.94 120.06 1rxc s ASN 222 Ca 0.04 -1.18 0.09 0.00 0.21 0.00 0.00 52.86 52.02 1rxc s ASN 222 Cb 0.04 -1.32 0.49 0.00 -0.55 0.00 0.00 41.25 39.91 1rxc s ASN 222 CO -0.11 -0.20 1.01 0.54 -2.79 0.00 0.00 177.10 175.55 1rxc n ARG 223 N 4.59 0.23 -0.13 0.43 5.12 0.22 -1.97 116.66 125.16 1rxc n ARG 223 Ca -0.13 0.05 0.05 0.00 -1.93 0.00 0.00 57.85 55.89 1rxc n ARG 223 Cb 0.44 -1.50 0.18 0.00 -1.16 0.00 0.00 32.46 30.41 1rxc n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rxc n THR 224 N -1.07 0.33 -0.50 0.55 -2.24 -1.26 -4.20 114.28 105.89 1rxc n THR 224 Ca 0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1rxc n THR 224 Cb 0.04 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.26 0.00 -3.64 -0.78 10.64 -0.83 -5.09 117.38 117.94 1rxc n GLN 225 Ca 0.10 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.12 1rxc n GLN 225 Cb 0.24 -0.03 -0.07 0.00 -0.86 0.00 0.00 30.24 29.52 1rxc n GLN 225 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1rxc s GLN 226 N 0.00 0.86 -0.17 2.61 -0.21 -1.12 -5.08 119.66 116.54 1rxc s GLN 226 Ca 0.00 0.06 -0.15 0.00 0.02 0.00 0.00 55.36 55.30 1rxc s GLN 226 Cb 0.00 0.39 -0.05 0.00 1.00 0.00 0.00 33.01 34.35 1rxc s GLN 226 CO 0.00 -0.25 -0.28 0.39 -2.12 0.00 0.00 175.29 173.03 1rxc n GLU 227 N 1.15 0.50 -2.99 2.91 1.02 -1.26 -3.85 120.64 118.12 1rxc n GLU 227 Ca -0.20 0.34 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 1rxc n GLU 227 Cb 0.56 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.64 4.90 0.51 -3.67 -1.09 -1.26 -4.98 121.20 112.98 1rxc s ILE 228 Ca -0.24 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 59.34 1rxc s ILE 228 Cb 0.03 -4.03 -0.10 0.00 -1.58 0.00 0.00 42.46 36.78 1rxc s ILE 228 CO 0.35 -0.03 0.59 -2.65 -1.23 0.00 0.00 174.94 171.97 1rxc n PRO 229 N 5.87 0.62 -2.15 2.79 -0.02 -1.26 -4.96 135.00 135.89 1rxc n PRO 229 Ca 0.03 0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 1rxc n PRO 229 Cb 0.48 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1rxc n PRO 229 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1rxc s ASN 230 N -1.07 6.01 0.20 2.55 0.02 -1.26 -4.97 114.94 116.42 1rxc s ASN 230 Ca 0.67 2.43 -0.01 0.00 -1.02 0.00 0.00 52.86 54.92 1rxc s ASN 230 Cb -0.50 -2.61 0.13 0.00 0.02 0.00 0.00 41.25 38.29 1rxc s ASN 230 CO 0.55 -1.04 1.50 0.00 0.02 0.00 0.00 177.10 178.14 1rxc h ALA 231 N 2.00 0.71 -0.63 0.60 0.00 -1.95 -3.37 119.26 116.62 1rxc h ALA 231 Ca -0.50 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1rxc h ALA 231 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rxc h ALA 231 CO 0.60 0.71 0.00 -0.85 0.00 0.00 0.00 179.25 179.71 1rxc n GLU 232 N -3.92 4.19 -0.40 0.00 0.28 -1.26 -3.87 120.64 115.66 1rxc n GLU 232 Ca -0.03 -3.01 0.07 0.00 -0.16 0.00 0.00 57.16 54.03 1rxc n GLU 232 Cb 0.63 -2.04 0.17 0.00 1.43 0.00 0.00 31.44 31.63 1rxc n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1rxc n THR 233 N 0.97 1.96 -1.41 3.84 -2.24 -1.26 -4.72 114.28 111.41 1rxc n THR 233 Ca 0.27 -2.70 -0.21 0.00 -2.27 0.00 0.00 64.05 59.14 1rxc n THR 233 Cb 1.01 -0.19 0.14 0.00 -2.10 0.00 0.00 70.33 69.20 1rxc n THR 233 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1rxc n MET 234 N -1.18 2.39 0.06 -0.78 2.81 -1.25 -4.19 117.12 114.98 1rxc n MET 234 Ca 0.17 -3.27 0.00 0.00 -1.81 0.00 0.00 57.70 52.79 1rxc n MET 234 Cb 0.68 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1rxc n MET 234 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1rxc n LYS 235 N -1.04 0.00 0.22 0.03 5.02 -1.26 -4.51 118.16 116.62 1rxc n LYS 235 Ca 0.51 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.88 1rxc n LYS 235 Cb 1.15 -0.19 0.48 0.00 -0.02 0.00 0.00 35.03 36.45 1rxc n LYS 235 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1rxc h GLN 236 N 0.00 0.00 0.00 1.97 7.50 -1.90 -2.80 115.11 119.88 1rxc h GLN 236 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1rxc h GLN 236 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1rxc h GLN 236 CO 0.00 0.27 -0.01 1.15 -1.50 0.00 0.00 178.83 178.74 1rxc h THR 237 N 0.00 1.79 -0.97 -0.54 2.02 -1.88 -3.03 112.91 110.31 1rxc h THR 237 Ca -0.00 -2.35 0.11 0.00 0.77 0.00 0.00 66.41 64.94 1rxc h THR 237 Cb 0.66 3.39 -0.08 0.00 -1.74 0.00 0.00 68.15 70.39 1rxc h THR 237 CO 0.03 0.61 0.62 -0.08 0.37 0.00 0.00 175.52 177.07 1rxc h GLU 238 N -0.99 0.94 0.00 6.66 4.81 -1.78 -2.44 114.58 121.78 1rxc h GLU 238 Ca -0.00 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 1rxc h GLU 238 Cb 1.01 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 1rxc h GLU 238 CO 0.00 0.62 -0.94 1.03 -0.73 0.00 0.00 179.01 179.00 1rxc h SER 239 N 0.97 0.00 -0.67 1.04 0.87 -1.63 -2.67 113.55 111.45 1rxc h SER 239 Ca 0.47 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.98 1rxc h SER 239 Cb 0.45 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1rxc h SER 239 CO -0.23 0.94 0.25 -0.74 -0.53 0.00 0.00 176.83 176.52 1rxc h HIS 240 N 0.00 1.04 -0.00 2.24 2.76 -1.32 -2.62 115.15 117.26 1rxc h HIS 240 Ca -0.01 -0.09 -0.19 0.00 -2.20 0.00 0.00 60.37 57.88 1rxc h HIS 240 Cb 1.69 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 1rxc h HIS 240 CO 0.00 0.83 -0.85 0.00 -1.30 0.00 0.00 177.93 176.60 1rxc h ALA 241 N 1.11 0.55 -0.68 5.26 0.00 -1.50 -3.04 119.26 120.95 1rxc h ALA 241 Ca 0.22 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1rxc h ALA 241 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rxc h ALA 241 CO -0.01 0.91 0.20 0.28 0.00 0.00 0.00 179.25 180.62 1rxc h VAL 242 N 0.10 1.25 -0.50 0.00 2.07 -1.39 -2.39 116.25 115.39 1rxc h VAL 242 Ca -0.04 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1rxc h VAL 242 Cb 1.47 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1rxc h VAL 242 CO 0.13 0.35 -0.08 0.11 0.02 0.00 0.00 177.57 178.10 1rxc h LYS 243 N 1.02 0.90 -0.40 1.57 1.57 -1.43 -2.20 116.57 117.59 1rxc h LYS 243 Ca 0.22 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1rxc h LYS 243 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1rxc h LYS 243 CO -0.00 0.94 0.17 0.82 -0.57 0.00 0.00 179.45 180.81 1rxc h ILE 244 N 0.82 1.19 0.00 1.86 2.04 -1.39 -1.82 117.51 120.21 1rxc h ILE 244 Ca 0.14 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 1rxc h ILE 244 Cb 0.59 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1rxc h ILE 244 CO 0.04 0.21 -0.39 1.62 0.00 0.00 0.00 178.15 179.63 1rxc h VAL 245 N 0.51 0.93 0.00 1.67 3.04 -1.31 -0.05 116.25 121.04 1rxc h VAL 245 Ca 0.14 -1.54 -0.23 0.00 -1.01 0.00 0.00 66.70 64.05 1rxc h VAL 245 Cb 0.16 1.92 0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1rxc h VAL 245 CO -0.01 0.38 -0.97 0.58 -1.01 0.00 0.00 177.57 176.54 1rxc h VAL 246 N 0.00 1.38 -0.08 1.51 2.07 -1.29 -1.65 116.25 118.19 1rxc h VAL 246 Ca -0.00 -2.42 -0.18 0.00 0.82 0.00 0.00 66.70 64.92 1rxc h VAL 246 Cb 0.89 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1rxc h VAL 246 CO 0.05 0.73 -0.71 -0.08 0.02 0.00 0.00 177.57 177.57 1rxc h GLU 247 N 0.26 0.38 -0.40 1.57 4.57 -1.11 -2.58 114.58 117.27 1rxc h GLU 247 Ca -0.09 -0.31 -0.12 0.00 -1.18 0.00 0.00 59.36 57.66 1rxc h GLU 247 Cb 1.61 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.25 1rxc h GLU 247 CO 0.17 0.95 -0.21 0.00 -1.18 0.00 0.00 179.01 178.74 1rxc h ALA 248 N 0.97 0.57 -0.99 2.92 0.00 -1.04 -2.72 119.26 118.97 1rxc h ALA 248 Ca -0.03 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 54.67 1rxc h ALA 248 Cb 1.28 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1rxc h ALA 248 CO 0.12 0.54 0.62 0.00 0.00 0.00 0.00 179.25 180.53 1rxc h ALA 249 N 0.81 1.65 -0.45 0.00 0.00 -1.23 -1.45 119.26 118.59 1rxc h ALA 249 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rxc h ALA 249 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1rxc h ALA 249 CO 0.06 0.04 0.23 0.00 0.00 0.00 0.00 179.25 179.58 1rxc h ARG 250 N 0.84 0.64 0.00 0.00 3.08 -1.16 -2.50 114.38 115.28 1rxc h ARG 250 Ca 0.53 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1rxc h ARG 250 Cb 0.74 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1rxc h ARG 250 CO -0.32 0.53 0.00 0.54 -1.07 0.00 0.00 179.97 179.66 1rxc n ARG 251 N -4.66 0.04 -0.00 0.04 1.74 -0.61 -3.20 116.66 110.00 1rxc n ARG 251 Ca 0.01 0.17 0.08 0.00 -0.77 0.00 0.00 57.85 57.34 1rxc n ARG 251 Cb 0.10 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.47 0.37 0.00 0.55 4.77 -0.79 -5.04 117.00 115.39 1rxc n LEU 252 Ca 0.05 -0.25 0.04 0.00 -0.03 0.00 0.00 56.01 55.82 1rxc n LEU 252 Cb 0.21 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.53 1rxc n LEU 252 CO 0.17 0.09 0.46 0.18 -1.33 0.00 0.00 177.39 176.96