#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlo s ALA 2 N 0.00 2.93 0.03 5.13 0.00 -1.26 -5.03 121.76 123.56 2rlo s ALA 2 Ca 0.00 -2.11 0.05 0.00 0.00 0.00 0.00 51.96 49.90 2rlo s ALA 2 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2rlo s ALA 2 CO 0.00 0.04 -0.16 0.42 0.00 0.00 0.00 175.76 176.06 2rlo s ILE 3 N -2.66 1.23 0.06 0.00 -1.09 -1.26 -4.90 121.20 112.58 2rlo s ILE 3 Ca 0.33 -0.94 -0.31 0.00 -2.23 0.00 0.00 60.65 57.50 2rlo s ILE 3 Cb 0.04 -1.08 -0.07 0.00 -1.58 0.00 0.00 42.46 39.77 2rlo s ILE 3 CO 0.16 0.13 1.38 -2.84 -1.23 0.00 0.00 174.94 172.54 2rlo s PRO 4 N -0.94 4.31 0.16 2.79 0.02 -1.26 -0.18 135.00 139.90 2rlo s PRO 4 Ca 0.04 2.00 0.22 0.00 0.02 0.00 0.00 61.00 63.28 2rlo s PRO 4 Cb -0.07 -3.40 -0.06 0.00 0.02 0.00 0.00 34.50 30.99 2rlo s PRO 4 CO 0.01 -0.48 0.94 -0.89 -0.33 0.00 0.00 177.00 176.25 2rlo n ILE 5 N 4.26 0.50 -3.15 2.83 -0.00 0.90 -4.88 119.36 119.81 2rlo n ILE 5 Ca 0.12 -0.53 0.06 0.00 -0.00 0.00 0.00 62.75 62.40 2rlo n ILE 5 Cb 0.43 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.64 39.79 2rlo n ILE 5 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2rlo s LYS 6 N -3.39 0.04 -0.14 0.38 2.47 -0.83 -4.87 119.74 113.41 2rlo s LYS 6 Ca -0.02 0.08 -0.01 0.00 -1.56 0.00 0.00 55.97 54.46 2rlo s LYS 6 Cb 0.10 0.04 0.04 0.00 -1.46 0.00 0.00 37.83 36.56 2rlo s LYS 6 CO 0.81 -0.05 -0.03 1.14 0.16 0.00 0.00 175.35 177.39 2rlo s GLN 7 N 2.98 1.12 0.07 4.03 -2.07 -1.26 0.11 119.66 124.64 2rlo s GLN 7 Ca -0.09 -0.31 -0.14 0.00 -1.82 0.00 0.00 55.36 52.99 2rlo s GLN 7 Cb -0.08 -1.72 0.05 0.00 -1.09 0.00 0.00 33.01 30.17 2rlo s GLN 7 CO -0.07 -0.41 0.67 -1.13 -1.32 0.00 0.00 175.29 173.03 2rlo n SER 8 N 4.98 -0.95 -4.67 12.60 3.41 -0.13 -4.98 113.62 123.87 2rlo n SER 8 Ca -0.10 -1.43 -0.43 0.00 -0.26 0.00 0.00 58.87 56.65 2rlo n SER 8 Cb 0.49 1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 65.94 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2rlo s PHE 9 N -3.27 3.41 0.22 7.33 0.08 -1.26 -1.15 117.98 123.34 2rlo s PHE 9 Ca 0.15 1.47 0.10 0.00 0.12 0.00 0.00 56.93 58.77 2rlo s PHE 9 Cb -0.01 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 2rlo s PHE 9 CO 0.02 -0.35 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.18 2rlo s LEU 10 N 2.59 2.90 -0.14 -0.37 1.02 0.23 -4.27 118.68 120.64 2rlo s LEU 10 Ca 0.44 -0.70 -0.15 0.00 0.02 0.00 0.00 54.13 53.75 2rlo s LEU 10 Cb -0.16 -1.53 -0.05 0.00 0.02 0.00 0.00 46.19 44.47 2rlo s LEU 10 CO 0.11 0.07 0.35 -0.22 0.02 0.00 0.00 176.35 176.68 2rlo s LEU 11 N -3.10 4.26 -0.29 1.79 2.96 -0.92 0.98 118.68 124.36 2rlo s LEU 11 Ca 0.27 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 2rlo s LEU 11 Cb -0.08 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2rlo s LEU 11 CO 0.16 0.08 0.00 -0.75 -1.32 0.00 0.00 176.35 174.52 2rlo s LYS 12 N 0.47 2.69 0.59 1.98 2.47 -0.61 0.12 119.74 127.44 2rlo s LYS 12 Ca 0.19 -1.10 -0.20 0.00 -1.56 0.00 0.00 55.97 53.31 2rlo s LYS 12 Cb -0.14 -3.18 -0.03 0.00 -1.46 0.00 0.00 37.83 33.02 2rlo s LYS 12 CO 0.06 -0.53 1.29 -2.13 0.16 0.00 0.00 175.35 174.20 2rlo n ARG 13 N 4.70 1.38 -3.07 4.03 0.63 -1.24 -1.61 116.66 121.47 2rlo n ARG 13 Ca -0.14 0.52 -0.09 0.00 -0.92 0.00 0.00 57.85 57.22 2rlo n ARG 13 Cb 0.45 -2.51 -0.03 0.00 0.45 0.00 0.00 32.46 30.82 2rlo n ARG 13 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2rlo s SER 14 N -1.13 -0.55 0.00 6.15 0.01 0.30 -4.89 113.70 113.60 2rlo s SER 14 Ca 0.76 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2rlo s SER 14 Cb -0.40 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.13 2rlo s SER 14 CO 0.45 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2rlo n GLY 15 N 3.51 -1.16 2.46 3.44 0.00 -1.26 -4.48 105.19 107.69 2rlo n GLY 15 Ca 0.17 0.48 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 2rlo n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rlo n ASN 16 N 0.00 -1.38 0.05 1.61 3.02 -1.23 -5.04 115.26 112.29 2rlo n ASN 16 Ca 0.00 -2.12 -0.20 0.00 -0.03 0.00 0.00 54.58 52.22 2rlo n ASN 16 Cb 0.00 2.35 -0.13 0.00 -0.61 0.00 0.00 39.78 41.39 2rlo n ASN 16 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2rlo h SER 17 N 1.33 0.60 -0.60 6.41 0.02 -2.01 -2.21 113.55 117.07 2rlo h SER 17 Ca -0.21 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 2rlo h SER 17 Cb 0.82 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2rlo h SER 17 CO 0.28 1.41 0.39 0.25 -1.14 0.00 0.00 176.83 178.02 2rlo h LEU 18 N -0.14 0.71 -6.28 5.07 6.46 -2.06 -3.31 115.31 115.75 2rlo h LEU 18 Ca -0.14 -0.02 -0.58 0.00 -0.12 0.00 0.00 57.88 57.01 2rlo h LEU 18 Cb 1.65 -0.18 -0.39 0.00 -0.73 0.00 0.00 40.66 41.01 2rlo h LEU 18 CO 0.17 0.53 -0.97 -3.20 -0.62 0.00 0.00 178.44 174.34 2rlo n ASN 19 N -4.43 0.27 -4.49 1.25 5.15 -1.24 -5.13 115.26 106.64 2rlo n ASN 19 Ca 0.06 -2.61 -0.28 0.00 -0.60 0.00 0.00 54.58 51.14 2rlo n ASN 19 Cb 0.05 -0.61 0.25 0.00 -0.53 0.00 0.00 39.78 38.95 2rlo n ASN 19 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2rlo s LYS 20 N -0.65 -0.87 -0.30 1.20 1.02 -0.83 -3.52 119.74 115.79 2rlo s LYS 20 Ca 0.33 0.92 -0.15 0.00 0.02 0.00 0.00 55.97 57.10 2rlo s LYS 20 Cb 0.09 -1.55 0.18 0.00 -0.52 0.00 0.00 37.83 36.02 2rlo s LYS 20 CO -0.15 -3.71 1.14 -2.00 -0.92 0.00 0.00 175.35 169.70 2rlo s GLU 21 N -4.45 0.07 0.09 1.68 2.12 -1.26 -4.88 118.70 112.07 2rlo s GLU 21 Ca 0.68 0.09 0.03 0.00 0.36 0.00 0.00 54.97 56.13 2rlo s GLU 21 Cb -0.25 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 2rlo s GLU 21 CO 0.64 -0.12 0.10 -1.58 -0.54 0.00 0.00 175.26 173.76 2rlo s TRP 22 N 2.98 3.21 0.16 5.30 0.52 -1.26 0.11 118.94 129.96 2rlo s TRP 22 Ca 0.21 0.08 0.10 0.00 0.02 0.00 0.00 56.10 56.51 2rlo s TRP 22 Cb -0.03 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 2rlo s TRP 22 CO -0.19 0.53 -0.23 0.21 0.02 0.00 0.00 176.95 177.29 2rlo s LYS 23 N -2.48 1.40 0.01 4.98 2.47 -0.63 -4.82 119.74 120.67 2rlo s LYS 23 Ca 0.30 -1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 52.98 2rlo s LYS 23 Cb -0.12 -1.70 -0.08 0.00 -1.46 0.00 0.00 37.83 34.48 2rlo s LYS 23 CO 0.23 0.37 1.81 0.15 0.16 0.00 0.00 175.35 178.07 2rlo s LYS 24 N -2.49 4.16 0.30 4.03 -0.14 -1.26 -1.58 119.74 122.76 2rlo s LYS 24 Ca 0.17 2.43 0.05 0.00 -1.36 0.00 0.00 55.97 57.26 2rlo s LYS 24 Cb -0.08 -4.00 -0.06 0.00 -1.68 0.00 0.00 37.83 32.01 2rlo s LYS 24 CO 0.08 -0.89 -0.01 0.15 -0.76 0.00 0.00 175.35 173.92 2rlo s LYS 25 N 4.01 1.58 -0.20 1.68 -0.14 0.28 -4.51 119.74 122.44 2rlo s LYS 25 Ca 0.81 -1.83 0.01 0.00 -1.36 0.00 0.00 55.97 53.60 2rlo s LYS 25 Cb -0.39 -1.04 0.04 0.00 -1.68 0.00 0.00 37.83 34.76 2rlo s LYS 25 CO 0.36 -0.05 -0.12 -0.47 -0.76 0.00 0.00 175.35 174.31 2rlo s TYR 26 N -3.12 2.54 0.12 3.18 6.14 -0.58 0.75 117.35 126.38 2rlo s TYR 26 Ca 0.32 -1.65 0.11 0.00 0.64 0.00 0.00 57.07 56.48 2rlo s TYR 26 Cb 0.06 -1.71 -0.04 0.00 0.42 0.00 0.00 41.96 40.69 2rlo s TYR 26 CO 0.13 -0.76 -0.27 0.08 0.64 0.00 0.00 175.55 175.37 2rlo s VAL 27 N 1.36 2.27 -0.05 3.14 1.01 -0.30 0.06 120.40 127.90 2rlo s VAL 27 Ca -0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.26 2rlo s VAL 27 Cb -0.16 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2rlo s VAL 27 CO -0.09 0.12 0.04 -0.89 0.00 0.00 0.00 175.10 174.29 2rlo s THR 28 N -1.03 0.04 -0.37 3.92 2.01 0.51 -0.96 115.64 119.76 2rlo s THR 28 Ca 0.14 0.31 -0.14 0.00 0.31 0.00 0.00 61.69 62.31 2rlo s THR 28 Cb -0.10 -0.25 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 2rlo s THR 28 CO 0.06 0.19 0.28 -0.22 -0.69 0.00 0.00 174.62 174.24 2rlo s LEU 29 N 1.96 4.75 0.32 4.42 1.98 0.30 -2.25 118.68 130.16 2rlo s LEU 29 Ca 0.03 -0.60 0.07 0.00 -2.89 0.00 0.00 54.13 50.74 2rlo s LEU 29 Cb -0.12 -2.17 -0.02 0.00 0.66 0.00 0.00 46.19 44.53 2rlo s LEU 29 CO -0.03 -0.34 0.36 -0.55 -1.89 0.00 0.00 176.35 173.90 2rlo s SER 30 N 1.71 5.69 0.00 3.68 0.15 -1.15 0.31 113.70 124.08 2rlo s SER 30 Ca 0.06 -0.29 0.17 0.00 0.70 0.00 0.00 55.95 56.59 2rlo s SER 30 Cb -0.18 -1.21 0.97 0.00 -1.71 0.00 0.00 66.02 63.89 2rlo s SER 30 CO 0.11 -0.32 1.63 -0.24 1.20 0.00 0.00 173.24 175.61 2rlo n SER 31 N -1.46 0.10 -1.65 5.45 2.88 0.75 -3.59 113.62 116.09 2rlo n SER 31 Ca -0.03 -1.50 -0.08 0.00 -1.33 0.00 0.00 58.87 55.94 2rlo n SER 31 Cb 0.59 -0.01 0.18 0.00 -0.75 0.00 0.00 64.21 64.22 2rlo n SER 31 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rlo n ASN 32 N -0.70 3.73 -3.90 -3.46 5.15 -1.26 -4.85 115.26 109.98 2rlo n ASN 32 Ca 0.13 -2.87 -0.29 0.00 -0.60 0.00 0.00 54.58 50.94 2rlo n ASN 32 Cb 0.07 -0.68 0.03 0.00 -0.53 0.00 0.00 39.78 38.66 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rlo n GLY 33 N -0.19 -0.47 2.76 8.20 0.00 -1.24 -4.96 105.19 109.30 2rlo n GLY 33 Ca 0.31 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2rlo n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rlo s PHE 34 N -3.36 0.13 -0.28 1.61 5.36 -1.26 -1.94 117.98 118.25 2rlo s PHE 34 Ca 0.58 0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 56.59 2rlo s PHE 34 Cb -0.29 -0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 42.01 2rlo s PHE 34 CO 0.83 -0.14 0.09 -1.17 -1.46 0.00 0.00 175.22 173.38 2rlo s LEU 35 N 1.39 3.74 0.03 6.12 2.96 -0.92 -2.96 118.68 129.05 2rlo s LEU 35 Ca -0.05 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2rlo s LEU 35 Cb -0.13 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2rlo s LEU 35 CO -0.03 -0.13 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.95 2rlo s LEU 36 N 1.58 2.67 -0.16 -0.68 1.02 -0.95 0.02 118.68 122.17 2rlo s LEU 36 Ca 0.05 -0.38 -0.07 0.00 0.02 0.00 0.00 54.13 53.75 2rlo s LEU 36 Cb -0.16 -1.55 0.07 0.00 0.02 0.00 0.00 46.19 44.56 2rlo s LEU 36 CO 0.04 0.27 0.36 -0.72 0.02 0.00 0.00 176.35 176.32 2rlo s TYR 37 N -0.91 -0.59 0.30 0.29 1.13 -0.34 -0.36 117.35 116.87 2rlo s TYR 37 Ca 0.15 1.23 0.10 0.00 -1.41 0.00 0.00 57.07 57.13 2rlo s TYR 37 Cb -0.11 0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.90 2rlo s TYR 37 CO 0.05 -0.37 -0.02 -1.01 -2.51 0.00 0.00 175.55 171.69 2rlo s HIS 38 N 1.93 2.58 0.19 -3.49 0.09 0.11 -1.59 115.29 115.13 2rlo s HIS 38 Ca -0.05 -0.31 -0.17 0.00 -0.00 0.00 0.00 55.06 54.52 2rlo s HIS 38 Cb -0.10 -1.28 0.17 0.00 -0.00 0.00 0.00 32.58 31.37 2rlo s HIS 38 CO -0.11 0.58 1.61 -1.35 -0.00 0.00 0.00 174.74 175.46 2rlo h PRO 39 N 1.90 -0.09 0.00 8.40 0.11 -1.91 -1.53 132.00 138.88 2rlo h PRO 39 Ca -0.43 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2rlo h PRO 39 Cb 1.25 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2rlo h PRO 39 CO 0.62 -0.06 -0.01 0.45 -0.21 0.00 0.00 178.00 178.79 2rlo n SER 40 N -5.43 -0.23 -0.23 -2.05 2.88 -1.26 -3.92 113.62 103.38 2rlo n SER 40 Ca 0.05 -1.29 -0.08 0.00 -1.33 0.00 0.00 58.87 56.23 2rlo n SER 40 Cb 0.33 0.42 0.03 0.00 -0.75 0.00 0.00 64.21 64.25 2rlo n SER 40 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2rlo h ILE 41 N 1.16 1.25 -0.59 2.46 5.03 -1.91 -2.04 117.51 122.87 2rlo h ILE 41 Ca -0.04 -0.89 0.17 0.00 -0.12 0.00 0.00 64.86 63.98 2rlo h ILE 41 Cb 0.19 0.61 -0.02 0.00 -3.03 0.00 0.00 36.82 34.56 2rlo h ILE 41 CO 0.06 0.34 0.54 0.78 -0.68 0.00 0.00 178.15 179.18 2rlo h ASN 42 N 0.93 0.00 0.05 1.72 4.21 -1.98 0.35 115.58 120.87 2rlo h ASN 42 Ca 0.20 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.46 2rlo h ASN 42 Cb 0.32 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.55 2rlo h ASN 42 CO -0.00 0.00 -1.01 0.44 -1.29 0.00 0.00 177.43 175.57 2rlo h ASP 43 N 0.00 0.80 0.06 5.81 5.19 -1.77 -1.85 116.42 124.66 2rlo h ASP 43 Ca 0.28 -0.79 -0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2rlo h ASP 43 Cb 1.35 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2rlo h ASP 43 CO -0.00 1.49 -0.03 0.22 -3.12 0.00 0.00 179.24 177.80 2rlo h TYR 44 N 0.20 -0.07 0.59 4.55 3.20 -0.42 1.05 116.97 126.06 2rlo h TYR 44 Ca -0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2rlo h TYR 44 Cb 1.70 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.98 2rlo h TYR 44 CO 0.12 0.41 -0.41 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.59 0.00 0.00 1.81 2.04 -0.63 -3.03 117.51 117.11 2rlo h ILE 45 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2rlo h ILE 45 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2rlo h ILE 45 CO 0.01 0.00 -0.33 0.45 0.00 0.00 0.00 178.15 178.28 2rlo h HIS 46 N -0.95 0.00 -3.57 1.37 3.86 -1.45 -3.49 115.15 110.92 2rlo h HIS 46 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2rlo h HIS 46 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2rlo h HIS 46 CO -0.11 0.33 -0.03 0.43 0.86 0.00 0.00 177.93 179.41 2rlo n SER 47 N -3.40 -3.43 -1.57 2.45 7.64 0.33 -5.02 113.62 110.62 2rlo n SER 47 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2rlo n SER 47 Cb 0.52 -2.06 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2rlo n SER 47 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2rlo n THR 48 N -1.00 0.00 -0.36 0.44 -2.24 0.39 -4.92 114.28 106.58 2rlo n THR 48 Ca 0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 2rlo n THR 48 Cb 0.40 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 2rlo n THR 48 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2rlo n HIS 49 N 0.00 -0.20 -2.74 4.78 8.25 -1.26 -4.90 115.22 119.15 2rlo n HIS 49 Ca 0.00 1.12 -0.03 0.00 -0.26 0.00 0.00 57.72 58.55 2rlo n HIS 49 Cb 0.00 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.38 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rlo n GLY 50 N -1.32 -3.92 3.78 -1.41 0.00 -1.26 -4.93 105.19 96.12 2rlo n GLY 50 Ca 0.05 1.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.89 2rlo n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s LYS 51 N -0.76 3.45 -0.02 1.61 -0.14 -0.62 -4.85 119.74 118.41 2rlo s LYS 51 Ca -0.17 1.60 -0.00 0.00 -1.36 0.00 0.00 55.97 56.04 2rlo s LYS 51 Cb 0.01 -2.06 0.02 0.00 -1.68 0.00 0.00 37.83 34.12 2rlo s LYS 51 CO 0.62 -0.77 0.04 -1.21 -0.76 0.00 0.00 175.35 173.27 2rlo s GLU 52 N -3.21 -0.01 -0.18 1.68 2.02 -1.26 -1.19 118.70 116.55 2rlo s GLU 52 Ca 0.71 0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.86 2rlo s GLU 52 Cb -0.24 -0.16 0.02 0.00 0.10 0.00 0.00 34.13 33.86 2rlo s GLU 52 CO 0.27 -0.11 -0.18 1.41 0.02 0.00 0.00 175.26 176.67 2rlo s MET 53 N 0.74 2.76 0.16 1.61 -2.45 0.10 -4.97 119.30 117.25 2rlo s MET 53 Ca -0.06 -0.82 -0.33 0.00 -1.25 0.00 0.00 55.69 53.23 2rlo s MET 53 Cb -0.09 -2.50 -0.13 0.00 1.25 0.00 0.00 34.83 33.37 2rlo s MET 53 CO -0.02 -0.25 1.69 -3.47 1.05 0.00 0.00 175.02 174.01 2rlo n ASP 54 N 4.64 3.62 -1.85 1.11 -0.08 -1.26 -2.15 116.55 120.57 2rlo n ASP 54 Ca -0.19 1.06 -0.17 0.00 -1.51 0.00 0.00 54.79 53.97 2rlo n ASP 54 Cb 0.49 -1.50 0.12 0.00 2.34 0.00 0.00 41.12 42.57 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2rlo n LEU 55 N 4.09 5.61 -0.05 -2.67 4.77 -0.82 -4.36 117.00 123.58 2rlo n LEU 55 Ca 0.17 -2.97 -0.01 0.00 -0.03 0.00 0.00 56.01 53.17 2rlo n LEU 55 Cb 0.32 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2rlo n LEU 55 CO 0.64 0.89 -0.10 -0.07 -1.33 0.00 0.00 177.39 177.43 2rlo h LEU 56 N 1.04 0.00 -4.35 2.23 3.38 -1.88 -3.19 115.31 112.54 2rlo h LEU 56 Ca 0.44 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.82 2rlo h LEU 56 Cb 2.25 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.58 2rlo h LEU 56 CO 0.77 0.49 -0.66 -1.14 0.09 0.00 0.00 178.44 177.99 2rlo n ARG 57 N -4.29 3.44 -3.26 1.13 0.63 -1.26 -4.50 116.66 108.55 2rlo n ARG 57 Ca -0.02 -4.37 -0.23 0.00 -0.92 0.00 0.00 57.85 52.31 2rlo n ARG 57 Cb 0.07 -2.26 -0.00 0.00 0.45 0.00 0.00 32.46 30.72 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2rlo s THR 58 N -5.29 4.62 0.33 5.15 -4.23 -1.26 -3.99 115.64 110.97 2rlo s THR 58 Ca 0.49 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 2rlo s THR 58 Cb 0.41 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.50 2rlo s THR 58 CO -0.14 -0.44 0.07 -0.89 -0.54 0.00 0.00 174.62 172.68 2rlo s THR 59 N -2.38 1.12 -0.04 3.99 2.01 0.11 -4.95 115.64 115.49 2rlo s THR 59 Ca 0.43 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.42 2rlo s THR 59 Cb -0.10 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.70 2rlo s THR 59 CO 0.36 0.00 0.04 0.68 -0.69 0.00 0.00 174.62 175.01 2rlo s VAL 60 N -3.29 -0.01 0.04 3.82 -7.23 -1.26 -1.58 120.40 110.89 2rlo s VAL 60 Ca 0.35 0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 2rlo s VAL 60 Cb 0.08 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.81 2rlo s VAL 60 CO 0.15 0.17 0.07 -0.54 -0.31 0.00 0.00 175.10 174.64 2rlo s LYS 61 N 1.86 0.56 0.05 4.82 3.01 -0.93 -4.93 119.74 124.19 2rlo s LYS 61 Ca 0.01 -0.80 -0.19 0.00 -1.01 0.00 0.00 55.97 53.99 2rlo s LYS 61 Cb -0.12 0.22 -0.06 0.00 -1.01 0.00 0.00 37.83 36.85 2rlo s LYS 61 CO -0.03 -0.13 0.55 0.08 0.51 0.00 0.00 175.35 176.33 2rlo s VAL 62 N -2.66 4.79 -0.99 3.17 1.01 -1.26 0.53 120.40 125.00 2rlo s VAL 62 Ca -0.05 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.86 2rlo s VAL 62 Cb -0.01 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.28 2rlo s VAL 62 CO -0.05 0.54 2.06 -0.81 0.00 0.00 0.00 175.10 176.84 2rlo n PRO 63 N 1.86 0.12 -3.23 2.72 -0.04 -1.26 -3.63 135.00 131.54 2rlo n PRO 63 Ca -0.10 -1.51 -0.19 0.00 -0.04 0.00 0.00 63.50 61.65 2rlo n PRO 63 Cb 0.51 -3.71 -0.02 0.00 -0.04 0.00 0.00 33.50 30.24 2rlo n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rlo n GLY 64 N 6.07 -0.48 3.25 0.55 0.00 -1.26 -4.92 105.19 108.39 2rlo n GLY 64 Ca 0.39 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 2rlo n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s LYS 65 N -5.84 2.99 1.04 1.61 1.02 -1.24 -5.12 119.74 114.20 2rlo s LYS 65 Ca 0.32 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 2rlo s LYS 65 Cb -0.18 -2.31 0.15 0.00 -0.52 0.00 0.00 37.83 34.97 2rlo s LYS 65 CO 0.40 0.23 0.69 2.89 -0.92 0.00 0.00 175.35 178.64 2rlo n ARG 66 N 3.40 -1.25 -1.66 1.68 1.85 -1.26 -4.76 116.66 114.66 2rlo n ARG 66 Ca -0.19 -0.32 -0.52 0.00 -1.00 0.00 0.00 57.85 55.82 2rlo n ARG 66 Cb 0.53 -2.05 -0.06 0.00 -1.05 0.00 0.00 32.46 29.83 2rlo n ARG 66 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2rlo n PRO 67 N -3.39 1.68 -1.60 2.89 -0.02 -1.26 -4.83 135.00 128.47 2rlo n PRO 67 Ca 0.06 0.60 -0.47 0.00 -2.02 0.00 0.00 63.50 61.66 2rlo n PRO 67 Cb 0.55 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2rlo n PRO 67 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2rlo n PRO 68 N 6.50 1.87 -2.50 0.52 -0.02 -1.26 -4.97 135.00 135.14 2rlo n PRO 68 Ca 0.27 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 62.17 2rlo n PRO 68 Cb 0.23 -2.77 0.08 0.00 -0.02 0.00 0.00 33.50 31.02 2rlo n PRO 68 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rlo n ARG 69 N 7.67 0.27 0.01 -0.52 1.74 -1.26 -5.06 116.66 119.52 2rlo n ARG 69 Ca 0.29 -2.54 -0.07 0.00 -0.77 0.00 0.00 57.85 54.76 2rlo n ARG 69 Cb 0.32 -0.42 -0.06 0.00 -1.02 0.00 0.00 32.46 31.29 2rlo n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rlo h ALA 70 N -0.26 -0.15 0.00 7.54 0.00 -1.98 -3.40 119.26 121.01 2rlo h ALA 70 Ca -0.27 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.13 2rlo h ALA 70 Cb 1.08 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2rlo h ALA 70 CO 0.32 -0.17 -2.33 -0.89 0.00 0.00 0.00 179.25 176.18 2rlo n ILE 71 N -4.84 1.23 -2.46 0.00 2.08 -1.26 -4.88 119.36 109.23 2rlo n ILE 71 Ca -0.05 -0.81 0.12 0.00 0.56 0.00 0.00 62.75 62.56 2rlo n ILE 71 Cb 0.21 -0.42 -0.03 0.00 -0.75 0.00 0.00 39.64 38.65 2rlo n ILE 71 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2rlo n SER 72 N -2.69 -6.89 -1.27 4.38 2.88 -1.26 -4.03 113.62 104.74 2rlo n SER 72 Ca -0.30 0.94 0.05 0.00 -1.33 0.00 0.00 58.87 58.23 2rlo n SER 72 Cb 1.09 -2.64 0.25 0.00 -0.75 0.00 0.00 64.21 62.16 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo n ALA 73 N -1.45 3.15 -2.50 -1.46 0.00 -1.26 -4.91 120.51 112.08 2rlo n ALA 73 Ca 0.01 -1.13 -0.35 0.00 0.00 0.00 0.00 53.44 51.97 2rlo n ALA 73 Cb 0.40 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2rlo n ALA 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2rlo s PHE 74 N -1.94 3.59 0.20 0.00 0.40 -1.26 -5.10 117.98 113.87 2rlo s PHE 74 Ca 0.34 0.87 0.10 0.00 -0.60 0.00 0.00 56.93 57.64 2rlo s PHE 74 Cb 0.24 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2rlo s PHE 74 CO 0.13 0.48 -0.12 0.20 0.70 0.00 0.00 175.22 176.61 2rlo s GLY 75 N -1.77 1.73 -0.62 4.36 0.00 -1.26 -5.06 107.32 104.70 2rlo s GLY 75 Ca 0.35 -1.57 -0.26 0.00 0.00 0.00 0.00 44.72 43.24 2rlo s GLY 75 CO 0.19 -1.60 1.87 2.56 0.00 0.00 0.00 173.10 176.11 2rlo s PRO 76 N -2.98 2.62 -0.23 2.90 0.04 -1.26 -4.92 135.00 131.16 2rlo s PRO 76 Ca 0.25 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 61.60 2rlo s PRO 76 Cb -0.08 -4.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.00 2rlo s PRO 76 CO 0.15 -2.76 2.14 0.45 0.04 0.00 0.00 177.00 177.01 2rlo s SER 77 N 8.15 5.56 0.34 6.66 0.15 -1.26 -4.84 113.70 128.46 2rlo s SER 77 Ca 0.68 1.81 0.09 0.00 0.70 0.00 0.00 55.95 59.23 2rlo s SER 77 Cb -0.12 -2.51 0.60 0.00 -1.71 0.00 0.00 66.02 62.28 2rlo s SER 77 CO 0.20 -1.89 1.78 0.00 1.20 0.00 0.00 173.24 174.53 2rlo h ALA 78 N 14.57 1.27 -1.98 5.45 0.00 -1.91 -3.41 119.26 133.26 2rlo h ALA 78 Ca -0.40 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.54 2rlo h ALA 78 Cb 1.23 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 2rlo h ALA 78 CO 0.97 0.51 0.44 -1.54 0.00 0.00 0.00 179.25 179.63 2rlo s SER 79 N -6.90 6.41 0.00 0.00 1.04 -1.26 -4.26 113.70 108.74 2rlo s SER 79 Ca -0.04 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2rlo s SER 79 Cb 0.14 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2rlo s SER 79 CO 0.75 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2rlo n GLY 80 N 5.00 0.70 1.42 7.32 0.00 -1.26 -5.09 105.19 113.28 2rlo n GLY 80 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 2rlo n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rlo n SER 81 N 0.00 -8.37 -4.34 1.61 3.41 -1.26 -4.94 113.62 99.73 2rlo n SER 81 Ca 0.00 0.87 -0.18 0.00 -0.26 0.00 0.00 58.87 59.30 2rlo n SER 81 Cb 0.00 -4.50 0.08 0.00 -0.26 0.00 0.00 64.21 59.53 2rlo n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rlo n ALA 82 N -2.97 0.64 0.00 7.33 0.00 -1.26 -4.87 120.51 119.38 2rlo n ALA 82 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2rlo n ALA 82 Cb 0.67 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.51 2rlo n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rlo n GLY 83 N -1.23 1.04 2.69 0.00 0.00 -1.26 -5.02 105.19 101.40 2rlo n GLY 83 Ca 0.14 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.23 2rlo n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 84 N 0.00 -3.41 -1.24 1.61 7.27 -1.26 -4.91 117.38 115.44 2rlo n GLN 84 Ca 0.00 2.74 -0.25 0.00 0.07 0.00 0.00 57.00 59.55 2rlo n GLN 84 Cb 0.00 -5.30 0.16 0.00 2.41 0.00 0.00 30.24 27.51 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2rlo n ALA 85 N 0.67 5.70 -2.01 1.69 0.00 -1.26 -4.29 120.51 121.01 2rlo n ALA 85 Ca 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 53.44 50.44 2rlo n ALA 85 Cb 0.01 -1.48 0.12 0.00 0.00 0.00 0.00 19.45 18.10 2rlo n ALA 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rlo n GLU 86 N -1.10 1.25 0.24 0.00 1.02 -1.26 -4.79 120.64 115.99 2rlo n GLU 86 Ca 0.59 -2.96 0.09 0.00 -0.02 0.00 0.00 57.16 54.87 2rlo n GLU 86 Cb 1.46 -1.14 0.62 0.00 -0.02 0.00 0.00 31.44 32.36 2rlo n GLU 86 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2rlo h GLU 87 N 1.20 0.00 -2.07 3.49 5.08 -1.97 -3.19 114.58 117.11 2rlo h GLU 87 Ca -0.05 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.78 2rlo h GLU 87 Cb 1.36 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.20 2rlo h GLU 87 CO 0.11 0.16 -0.91 0.39 -1.00 0.00 0.00 179.01 177.76 2rlo n GLU 88 N -3.96 2.18 -1.57 2.33 1.02 -1.26 -4.89 120.64 114.49 2rlo n GLU 88 Ca -0.02 -4.14 -0.39 0.00 -0.02 0.00 0.00 57.16 52.59 2rlo n GLU 88 Cb 0.25 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 2rlo n GLU 88 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2rlo n ASN 89 N -0.02 2.67 -4.78 1.62 6.94 -1.21 -4.93 115.26 115.54 2rlo n ASN 89 Ca 0.28 -0.22 -0.38 0.00 -0.02 0.00 0.00 54.58 54.23 2rlo n ASN 89 Cb 0.54 -1.57 -0.06 0.00 -2.36 0.00 0.00 39.78 36.33 2rlo n ASN 89 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2rlo s PHE 90 N 10.65 3.70 -0.07 -2.53 0.08 -1.26 -5.05 117.98 123.49 2rlo s PHE 90 Ca 1.00 1.15 -0.03 0.00 0.12 0.00 0.00 56.93 59.16 2rlo s PHE 90 Cb -0.25 -2.53 0.04 0.00 -0.57 0.00 0.00 43.02 39.71 2rlo s PHE 90 CO 0.30 0.43 0.16 -1.21 -0.10 0.00 0.00 175.22 174.80 2rlo s GLU 91 N -0.44 0.11 -0.02 0.44 8.01 -1.26 -3.62 118.70 121.91 2rlo s GLU 91 Ca 0.29 0.40 0.04 0.00 0.01 0.00 0.00 54.97 55.70 2rlo s GLU 91 Cb -0.18 -0.17 -0.00 0.00 -4.31 0.00 0.00 34.13 29.46 2rlo s GLU 91 CO 0.16 -0.17 -0.13 -0.59 0.01 0.00 0.00 175.26 174.55 2rlo s PHE 92 N 1.20 1.21 -0.03 1.61 -0.71 -0.81 -4.22 117.98 116.22 2rlo s PHE 92 Ca -0.09 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.52 2rlo s PHE 92 Cb -0.11 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 40.85 2rlo s PHE 92 CO -0.06 -0.07 0.04 -0.51 -1.34 0.00 0.00 175.22 173.27 2rlo s LEU 93 N -0.09 3.71 -0.33 -1.99 1.43 0.19 -1.79 118.68 119.80 2rlo s LEU 93 Ca 0.01 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2rlo s LEU 93 Cb -0.07 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 44.15 2rlo s LEU 93 CO 0.00 0.31 0.07 -0.63 0.23 0.00 0.00 176.35 176.33 2rlo s ILE 94 N -1.06 3.35 -0.19 -0.59 -1.09 0.74 -2.18 121.20 120.18 2rlo s ILE 94 Ca 0.19 -1.37 -0.09 0.00 -2.23 0.00 0.00 60.65 57.15 2rlo s ILE 94 Cb -0.12 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 2rlo s ILE 94 CO 0.09 -0.21 0.11 -0.69 -1.23 0.00 0.00 174.94 173.01 2rlo s VAL 95 N 1.30 5.24 0.30 2.92 1.01 -0.61 0.30 120.40 130.85 2rlo s VAL 95 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2rlo s VAL 95 Cb -0.20 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.86 2rlo s VAL 95 CO 0.00 0.46 0.41 -0.24 0.00 0.00 0.00 175.10 175.72 2rlo n SER 96 N 3.44 0.67 0.17 3.32 2.88 0.22 0.04 113.62 124.37 2rlo n SER 96 Ca -0.16 -1.54 0.12 0.00 -1.33 0.00 0.00 58.87 55.96 2rlo n SER 96 Cb 0.52 -0.25 0.14 0.00 -0.75 0.00 0.00 64.21 63.87 2rlo n SER 96 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2rlo h SER 97 N -0.17 0.00 -0.74 -3.46 4.64 -1.87 -3.25 113.55 108.70 2rlo h SER 97 Ca -0.13 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.97 2rlo h SER 97 Cb 0.53 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.50 2rlo h SER 97 CO 0.16 0.01 0.26 1.07 -0.87 0.00 0.00 176.83 177.45 2rlo n THR 98 N -2.84 2.95 0.00 2.95 5.66 -1.26 -4.90 114.28 116.84 2rlo n THR 98 Ca 0.03 -1.61 0.00 0.00 -3.05 0.00 0.00 64.05 59.42 2rlo n THR 98 Cb 0.52 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2rlo n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rlo n GLY 99 N -0.07 3.07 3.67 1.09 0.00 -1.23 -4.98 105.19 106.74 2rlo n GLY 99 Ca 0.40 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.88 2rlo n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 100 N -1.91 1.23 -3.95 1.61 -0.06 -1.26 -4.60 117.38 108.44 2rlo n GLN 100 Ca 0.00 0.45 -0.30 0.00 -2.00 0.00 0.00 57.00 55.15 2rlo n GLN 100 Cb 0.00 -2.13 -0.16 0.00 -4.06 0.00 0.00 30.24 23.89 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2rlo s THR 101 N 2.42 1.42 -0.48 1.69 2.01 -1.25 0.73 115.64 122.18 2rlo s THR 101 Ca 0.93 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 2rlo s THR 101 Cb -1.00 -1.54 0.07 0.00 0.01 0.00 0.00 72.50 70.04 2rlo s THR 101 CO 0.57 0.15 0.45 0.26 -0.69 0.00 0.00 174.62 175.37 2rlo s TRP 102 N 1.49 3.19 -0.32 4.92 0.52 0.15 -4.87 118.94 124.02 2rlo s TRP 102 Ca -0.00 -0.79 -0.19 0.00 0.02 0.00 0.00 56.10 55.13 2rlo s TRP 102 Cb -0.16 -3.23 -0.01 0.00 -1.15 0.00 0.00 33.47 28.92 2rlo s TRP 102 CO -0.08 -0.85 0.55 -1.58 0.02 0.00 0.00 176.95 175.02 2rlo s HIS 103 N 1.92 3.20 0.23 -1.98 2.46 -1.26 -0.18 115.29 119.67 2rlo s HIS 103 Ca 0.07 0.39 0.09 0.00 0.47 0.00 0.00 55.06 56.08 2rlo s HIS 103 Cb -0.23 -2.92 -0.05 0.00 -0.13 0.00 0.00 32.58 29.25 2rlo s HIS 103 CO 0.08 -0.48 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.65 2rlo s PHE 104 N 2.46 1.90 -0.25 3.88 0.08 -0.74 -3.72 117.98 121.59 2rlo s PHE 104 Ca 0.21 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.79 2rlo s PHE 104 Cb -0.15 -0.86 0.07 0.00 -0.57 0.00 0.00 43.02 41.50 2rlo s PHE 104 CO 0.12 0.48 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.68 2rlo s GLU 105 N -3.58 1.62 -0.17 0.44 2.12 0.12 -1.93 118.70 117.33 2rlo s GLU 105 Ca 0.25 -1.14 -0.36 0.00 0.36 0.00 0.00 54.97 54.08 2rlo s GLU 105 Cb -0.02 -2.65 -0.13 0.00 0.26 0.00 0.00 34.13 31.59 2rlo s GLU 105 CO 0.10 -0.66 1.88 0.00 -0.54 0.00 0.00 175.26 176.04 2rlo n ALA 106 N 4.61 0.63 -0.22 6.30 0.00 -1.24 -2.17 120.51 128.42 2rlo n ALA 106 Ca -0.10 0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.64 2rlo n ALA 106 Cb 0.43 -2.44 0.28 0.00 0.00 0.00 0.00 19.45 17.72 2rlo n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlo h ALA 107 N 9.08 1.55 -3.78 0.00 0.00 -1.93 -3.41 119.26 120.78 2rlo h ALA 107 Ca -0.46 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 53.73 2rlo h ALA 107 Cb 1.29 -0.26 -0.20 0.00 0.00 0.00 0.00 17.79 18.61 2rlo h ALA 107 CO 0.96 0.37 -0.72 -1.12 0.00 0.00 0.00 179.25 178.74 2rlo s SER 108 N -6.25 4.45 0.37 0.00 0.01 -1.26 -5.01 113.70 106.01 2rlo s SER 108 Ca -0.11 -0.08 0.08 0.00 1.31 0.00 0.00 55.95 57.16 2rlo s SER 108 Cb 0.19 -1.08 0.82 0.00 0.21 0.00 0.00 66.02 66.16 2rlo s SER 108 CO 0.78 0.35 1.93 -0.26 0.41 0.00 0.00 173.24 176.46 2rlo h PHE 109 N 5.30 0.72 -0.08 2.43 -1.00 -1.94 -1.03 116.94 121.34 2rlo h PHE 109 Ca -0.48 0.02 -0.22 0.00 2.81 0.00 0.00 57.97 60.10 2rlo h PHE 109 Cb 1.17 -0.23 0.01 0.00 3.61 0.00 0.00 35.95 40.50 2rlo h PHE 109 CO 0.54 0.34 -0.85 0.93 -1.61 0.00 0.00 178.31 177.67 2rlo h GLU 110 N 0.67 0.61 -0.19 1.51 3.07 -1.95 -3.19 114.58 115.11 2rlo h GLU 110 Ca 0.35 -0.55 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 2rlo h GLU 110 Cb 0.46 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2rlo h GLU 110 CO -0.13 1.17 0.05 1.49 -1.40 0.00 0.00 179.01 180.19 2rlo h GLU 111 N 0.39 0.26 -0.96 2.33 4.81 -1.60 -2.33 114.58 117.48 2rlo h GLU 111 Ca -0.07 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2rlo h GLU 111 Cb 1.47 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.73 2rlo h GLU 111 CO 0.16 0.24 0.61 0.07 -0.73 0.00 0.00 179.01 179.36 2rlo h ARG 112 N 0.26 1.04 -0.03 1.92 -0.00 -1.33 0.88 114.38 117.12 2rlo h ARG 112 Ca 0.07 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.98 59.87 2rlo h ARG 112 Cb 0.10 -0.24 0.01 0.00 -0.00 0.00 0.00 29.97 29.84 2rlo h ARG 112 CO -0.00 0.69 -0.41 -0.44 -0.00 0.00 0.00 179.97 179.81 2rlo h ASP 113 N 1.07 0.41 -0.09 0.08 5.19 -1.57 -2.10 116.42 119.41 2rlo h ASP 113 Ca 0.43 -0.72 0.04 0.00 -0.62 0.00 0.00 57.03 56.16 2rlo h ASP 113 Cb 0.23 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.57 2rlo h ASP 113 CO -0.19 1.07 -0.20 0.00 -3.12 0.00 0.00 179.24 176.80 2rlo h ALA 114 N 0.35 -0.18 0.36 3.45 0.00 -1.05 0.52 119.26 122.72 2rlo h ALA 114 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rlo h ALA 114 Cb 1.11 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2rlo h ALA 114 CO 0.08 -0.67 -0.28 -1.49 0.00 0.00 0.00 179.25 176.90 2rlo h TRP 115 N -0.27 -0.74 -0.88 0.00 4.06 -0.92 1.14 115.95 118.34 2rlo h TRP 115 Ca 0.09 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.20 2rlo h TRP 115 Cb 0.40 0.28 -0.07 0.00 -1.00 0.00 0.00 29.16 28.76 2rlo h TRP 115 CO -0.29 -0.41 0.57 0.28 -3.56 0.00 0.00 178.44 175.03 2rlo h VAL 116 N -0.64 0.77 0.00 1.49 2.07 -1.01 0.59 116.25 119.51 2rlo h VAL 116 Ca -0.03 -0.19 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 2rlo h VAL 116 Cb 0.56 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2rlo h VAL 116 CO -0.00 0.10 -0.84 -0.61 0.02 0.00 0.00 177.57 176.23 2rlo h GLN 117 N 0.56 0.00 -0.42 1.57 4.15 0.89 -2.57 115.11 119.29 2rlo h GLN 117 Ca 0.45 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.76 2rlo h GLN 117 Cb 0.89 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 2rlo h GLN 117 CO -0.19 0.84 -0.15 0.00 -1.93 0.00 0.00 178.83 177.41 2rlo h ALA 118 N 1.16 0.58 0.11 3.38 0.00 0.64 0.53 119.26 125.65 2rlo h ALA 118 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2rlo h ALA 118 Cb 1.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2rlo h ALA 118 CO 0.11 0.50 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 2rlo h ILE 119 N 0.66 1.07 -0.20 0.00 1.08 -0.55 -0.43 117.51 119.15 2rlo h ILE 119 Ca 0.10 -0.72 -0.06 0.00 -0.39 0.00 0.00 64.86 63.79 2rlo h ILE 119 Cb 0.69 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 2rlo h ILE 119 CO 0.05 0.17 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.22 2rlo h GLU 120 N -0.48 0.32 -0.49 2.37 4.39 -1.46 -1.08 114.58 118.15 2rlo h GLU 120 Ca -0.01 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2rlo h GLU 120 Cb 0.39 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2rlo h GLU 120 CO 0.02 0.45 -0.06 1.03 -1.16 0.00 0.00 179.01 179.30 2rlo h SER 121 N 0.30 0.90 -0.05 1.42 0.87 0.21 0.22 113.55 117.42 2rlo h SER 121 Ca 0.06 -0.34 -0.13 0.00 -1.23 0.00 0.00 61.79 60.15 2rlo h SER 121 Cb 0.42 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2rlo h SER 121 CO 0.02 1.02 -0.41 1.56 -0.53 0.00 0.00 176.83 178.50 2rlo h GLN 122 N 0.76 0.57 -0.05 2.24 1.08 -0.68 -2.06 115.11 116.97 2rlo h GLN 122 Ca 0.13 -0.29 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 2rlo h GLN 122 Cb 0.60 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2rlo h GLN 122 CO 0.04 0.88 -0.70 0.82 -0.95 0.00 0.00 178.83 178.92 2rlo h ILE 123 N 0.47 1.41 -0.37 2.54 2.04 -1.01 -1.56 117.51 121.03 2rlo h ILE 123 Ca 0.04 -2.18 -0.13 0.00 1.00 0.00 0.00 64.86 63.59 2rlo h ILE 123 Cb 0.91 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 2rlo h ILE 123 CO 0.08 0.64 -0.29 0.25 0.00 0.00 0.00 178.15 178.84 2rlo h LEU 124 N 0.18 0.81 -0.36 1.44 6.46 -0.38 0.25 115.31 123.71 2rlo h LEU 124 Ca -0.02 -0.32 -0.17 0.00 -0.12 0.00 0.00 57.88 57.24 2rlo h LEU 124 Cb 1.25 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 2rlo h LEU 124 CO 0.11 1.05 -0.82 0.00 -0.62 0.00 0.00 178.44 178.16 2rlo h ALA 125 N 1.00 0.64 0.00 1.25 0.00 -1.32 -3.23 119.26 117.61 2rlo h ALA 125 Ca 0.08 -0.74 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2rlo h ALA 125 Cb 0.82 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2rlo h ALA 125 CO 0.07 1.02 -1.16 0.77 0.00 0.00 0.00 179.25 179.95 2rlo h SER 126 N 0.00 0.01 -0.31 0.00 0.02 -1.11 -3.27 113.55 108.89 2rlo h SER 126 Ca -0.01 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2rlo h SER 126 Cb 1.45 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2rlo h SER 126 CO 0.11 1.01 0.21 0.25 -1.14 0.00 0.00 176.83 177.27 2rlo h LEU 127 N 0.00 0.12 0.00 5.07 7.12 -0.52 -3.49 115.31 123.60 2rlo h LEU 127 Ca -0.07 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2rlo h LEU 127 Cb 1.83 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.93 2rlo h LEU 127 CO 0.12 0.08 0.00 0.00 -0.13 0.00 0.00 178.44 178.51