#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 3.24 -0.01 5.13 0.00 -1.26 -5.00 121.76 123.86 2rlo s ALA 2 Ca 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 49.94 2rlo s ALA 2 Cb 0.00 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2rlo s ALA 2 CO 0.00 -0.12 -0.03 0.42 0.00 0.00 0.00 175.76 176.03 2rlo s ILE 3 N -2.77 0.32 0.08 0.00 1.09 -1.26 -4.92 121.20 113.73 2rlo s ILE 3 Ca 0.31 -0.11 -0.31 0.00 -1.10 0.00 0.00 60.65 59.44 2rlo s ILE 3 Cb 0.09 -0.31 -0.07 0.00 -1.06 0.00 0.00 42.46 41.10 2rlo s ILE 3 CO 0.16 0.12 1.44 -2.84 -0.10 0.00 0.00 174.94 173.72 2rlo s PRO 4 N 0.28 4.28 0.11 2.79 0.02 -1.26 0.63 135.00 141.85 2rlo s PRO 4 Ca -0.03 2.10 0.22 0.00 0.02 0.00 0.00 61.00 63.32 2rlo s PRO 4 Cb -0.06 -3.39 -0.14 0.00 0.02 0.00 0.00 34.50 30.93 2rlo s PRO 4 CO -0.00 -0.53 0.82 -0.89 -0.33 0.00 0.00 177.00 176.06 2rlo n ILE 5 N 4.28 0.38 -3.15 2.83 -0.00 0.67 -4.88 119.36 119.48 2rlo n ILE 5 Ca 0.13 -0.53 0.05 0.00 -0.00 0.00 0.00 62.75 62.40 2rlo n ILE 5 Cb 0.42 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.64 39.84 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 -3.42 0.13 -0.23 0.38 2.47 -0.87 -4.91 119.74 113.30 2rlo s LYS 6 Ca -0.04 0.24 -0.01 0.00 -1.56 0.00 0.00 55.97 54.60 2rlo s LYS 6 Cb 0.11 0.13 0.07 0.00 -1.46 0.00 0.00 37.83 36.68 2rlo s LYS 6 CO 0.84 -0.14 0.01 1.14 0.16 0.00 0.00 175.35 177.36 2rlo s GLN 7 N 2.94 1.04 0.18 4.03 -2.07 -1.26 0.91 119.66 125.43 2rlo s GLN 7 Ca -0.04 -0.74 -0.09 0.00 -1.82 0.00 0.00 55.36 52.68 2rlo s GLN 7 Cb -0.09 -2.30 0.03 0.00 -1.09 0.00 0.00 33.01 29.56 2rlo s GLN 7 CO -0.10 -0.67 0.44 0.43 -1.32 0.00 0.00 175.29 174.08 2rlo n SER 8 N 4.87 -1.12 -4.76 12.60 7.64 0.06 -4.98 113.62 127.93 2rlo n SER 8 Ca -0.09 -1.74 -0.40 0.00 1.01 0.00 0.00 58.87 57.65 2rlo n SER 8 Cb 0.45 1.86 -0.05 0.00 -1.01 0.00 0.00 64.21 65.46 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rlo s PHE 9 N -5.07 3.78 0.12 1.43 0.08 -1.26 -0.51 117.98 116.55 2rlo s PHE 9 Ca 0.09 1.48 0.07 0.00 0.12 0.00 0.00 56.93 58.69 2rlo s PHE 9 Cb -0.02 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 2rlo s PHE 9 CO 0.05 0.35 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.86 2rlo s LEU 10 N -0.38 2.38 -0.00 -0.37 1.02 -0.68 -4.34 118.68 116.31 2rlo s LEU 10 Ca 0.37 -0.78 -0.19 0.00 0.02 0.00 0.00 54.13 53.55 2rlo s LEU 10 Cb -0.21 -0.64 -0.05 0.00 0.02 0.00 0.00 46.19 45.30 2rlo s LEU 10 CO 0.23 -0.09 0.55 -0.76 0.02 0.00 0.00 176.35 176.30 2rlo s LEU 11 N -2.33 4.43 -0.15 1.79 1.02 -0.96 0.54 118.68 123.01 2rlo s LEU 11 Ca 0.08 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.35 2rlo s LEU 11 Cb -0.06 -2.84 0.02 0.00 0.02 0.00 0.00 46.19 43.33 2rlo s LEU 11 CO 0.04 0.15 -0.13 -0.75 0.02 0.00 0.00 176.35 175.68 2rlo s LYS 12 N -0.38 2.23 0.50 1.70 2.47 -0.80 -0.34 119.74 125.12 2rlo s LYS 12 Ca 0.29 -0.57 -0.20 0.00 -1.56 0.00 0.00 55.97 53.92 2rlo s LYS 12 Cb -0.18 -2.12 -0.11 0.00 -1.46 0.00 0.00 37.83 33.97 2rlo s LYS 12 CO 0.16 -0.26 0.50 -2.13 0.16 0.00 0.00 175.35 173.78 2rlo n ARG 13 N 4.77 0.54 -0.03 4.03 0.63 -1.26 -1.70 116.66 123.64 2rlo n ARG 13 Ca -0.16 0.20 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 2rlo n ARG 13 Cb 0.50 -1.59 -0.11 0.00 0.45 0.00 0.00 32.46 31.71 2rlo n ARG 13 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2rlo h SER 14 N 0.50 0.19 0.00 6.15 0.87 0.47 -3.46 113.55 118.27 2rlo h SER 14 Ca -0.43 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.39 2rlo h SER 14 Cb 1.40 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2rlo h SER 14 CO 0.49 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 178.30 2rlo n GLY 15 N 0.93 -1.12 3.76 5.77 0.00 -1.26 -5.05 105.19 108.21 2rlo n GLY 15 Ca -0.09 0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 2rlo n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rlo n ASN 16 N 0.00 3.30 0.01 1.61 2.85 -1.26 -4.95 115.26 116.82 2rlo n ASN 16 Ca 0.00 1.13 -0.21 0.00 -0.11 0.00 0.00 54.58 55.39 2rlo n ASN 16 Cb 0.00 -1.60 -0.14 0.00 1.24 0.00 0.00 39.78 39.28 2rlo n ASN 16 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2rlo h SER 17 N 2.31 0.38 -0.64 1.20 0.02 -2.00 -3.27 113.55 111.54 2rlo h SER 17 Ca -0.51 -0.86 0.02 0.00 -0.84 0.00 0.00 61.79 59.60 2rlo h SER 17 Cb 1.27 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 2rlo h SER 17 CO 0.61 1.56 0.43 0.25 -1.14 0.00 0.00 176.83 178.53 2rlo h LEU 18 N -0.36 0.70 -6.33 5.07 5.85 -2.08 -3.20 115.31 114.96 2rlo h LEU 18 Ca -0.27 -0.01 -0.62 0.00 0.84 0.00 0.00 57.88 57.82 2rlo h LEU 18 Cb 1.71 -0.17 -0.41 0.00 0.37 0.00 0.00 40.66 42.15 2rlo h LEU 18 CO 0.07 0.50 -0.50 -3.20 -0.34 0.00 0.00 178.44 174.96 2rlo n ASN 19 N -4.45 3.86 -4.66 1.25 5.15 -1.26 -5.09 115.26 110.07 2rlo n ASN 19 Ca 0.07 -3.42 -0.37 0.00 -0.60 0.00 0.00 54.58 50.26 2rlo n ASN 19 Cb 0.08 -0.72 0.07 0.00 -0.53 0.00 0.00 39.78 38.69 2rlo n ASN 19 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2rlo n LYS 20 N 1.00 0.82 -3.15 1.20 5.02 -1.21 -4.58 118.16 117.26 2rlo n LYS 20 Ca 0.29 0.34 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 2rlo n LYS 20 Cb 0.40 -2.34 -0.00 0.00 -0.02 0.00 0.00 35.03 33.07 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2rlo s GLU 21 N -3.24 0.37 -0.00 1.97 2.12 -1.26 -4.96 118.70 113.69 2rlo s GLU 21 Ca 0.78 0.34 -0.15 0.00 0.36 0.00 0.00 54.97 56.30 2rlo s GLU 21 Cb -0.37 0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.12 2rlo s GLU 21 CO 0.45 -0.69 0.42 -1.58 -0.54 0.00 0.00 175.26 173.32 2rlo s TRP 22 N 2.86 3.72 0.29 5.30 0.52 -1.26 0.11 118.94 130.48 2rlo s TRP 22 Ca 0.18 1.00 0.09 0.00 0.02 0.00 0.00 56.10 57.39 2rlo s TRP 22 Cb -0.06 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2rlo s TRP 22 CO -0.24 0.62 0.10 0.15 0.02 0.00 0.00 176.95 177.59 2rlo s LYS 23 N -0.99 2.48 -0.44 4.98 3.01 -0.69 -4.76 119.74 123.34 2rlo s LYS 23 Ca 0.24 -1.36 -0.29 0.00 -1.01 0.00 0.00 55.97 53.55 2rlo s LYS 23 Cb -0.17 -2.28 0.01 0.00 -1.01 0.00 0.00 37.83 34.39 2rlo s LYS 23 CO 0.13 0.29 1.44 0.21 0.51 0.00 0.00 175.35 177.93 2rlo s LYS 24 N -3.78 3.49 0.52 1.68 2.47 -1.26 -1.90 119.74 120.96 2rlo s LYS 24 Ca 0.34 0.86 0.05 0.00 -1.56 0.00 0.00 55.97 55.66 2rlo s LYS 24 Cb -0.06 -4.06 0.05 0.00 -1.46 0.00 0.00 37.83 32.31 2rlo s LYS 24 CO 0.22 -1.67 0.45 1.63 0.16 0.00 0.00 175.35 176.14 2rlo n LYS 25 N 8.22 0.71 -3.73 4.03 4.76 0.19 -4.27 118.16 128.08 2rlo n LYS 25 Ca 0.16 -3.17 -0.25 0.00 -2.87 0.00 0.00 58.31 52.18 2rlo n LYS 25 Cb 0.48 0.25 -0.17 0.00 -1.84 0.00 0.00 35.03 33.75 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2rlo s TYR 26 N -2.52 0.70 0.05 2.13 6.14 -0.47 -1.68 117.35 121.70 2rlo s TYR 26 Ca 0.34 -0.43 0.09 0.00 0.64 0.00 0.00 57.07 57.70 2rlo s TYR 26 Cb -0.03 -0.86 -0.03 0.00 0.42 0.00 0.00 41.96 41.47 2rlo s TYR 26 CO 0.22 -0.46 -0.24 0.08 0.64 0.00 0.00 175.55 175.78 2rlo s VAL 27 N 1.96 2.32 -0.16 3.14 1.01 0.34 0.13 120.40 129.14 2rlo s VAL 27 Ca 0.02 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 2rlo s VAL 27 Cb -0.15 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.35 2rlo s VAL 27 CO -0.07 0.32 0.07 -0.89 0.00 0.00 0.00 175.10 174.54 2rlo s THR 28 N -0.87 0.05 -0.35 3.92 2.01 0.94 -0.76 115.64 120.58 2rlo s THR 28 Ca 0.13 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.73 2rlo s THR 28 Cb -0.10 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2rlo s THR 28 CO 0.03 -0.21 0.70 -0.22 -0.69 0.00 0.00 174.62 174.23 2rlo s LEU 29 N 2.08 4.19 0.32 4.42 1.98 0.26 -2.33 118.68 129.60 2rlo s LEU 29 Ca 0.02 0.28 0.07 0.00 -2.89 0.00 0.00 54.13 51.61 2rlo s LEU 29 Cb -0.16 -2.90 -0.02 0.00 0.66 0.00 0.00 46.19 43.78 2rlo s LEU 29 CO -0.08 -0.64 0.39 -0.55 -1.89 0.00 0.00 176.35 173.58 2rlo s SER 30 N 1.79 5.75 0.00 3.68 0.15 -1.09 0.24 113.70 124.22 2rlo s SER 30 Ca 0.28 -0.27 0.22 0.00 0.70 0.00 0.00 55.95 56.88 2rlo s SER 30 Cb -0.14 -1.20 1.33 0.00 -1.71 0.00 0.00 66.02 64.30 2rlo s SER 30 CO 0.15 -0.36 1.86 -0.24 1.20 0.00 0.00 173.24 175.85 2rlo n SER 31 N -1.51 0.05 -1.64 5.45 2.88 0.20 -3.52 113.62 115.53 2rlo n SER 31 Ca -0.02 -1.31 -0.07 0.00 -1.33 0.00 0.00 58.87 56.14 2rlo n SER 31 Cb 0.59 -0.00 0.17 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 -0.82 3.72 -3.86 -3.46 4.05 -1.26 -4.83 115.26 108.80 2rlo n ASN 32 Ca 0.17 -2.86 -0.28 0.00 0.45 0.00 0.00 54.58 52.06 2rlo n ASN 32 Cb 0.08 -0.68 0.03 0.00 1.23 0.00 0.00 39.78 40.44 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rlo n GLY 33 N -0.17 -0.43 2.72 8.20 0.00 -1.23 -4.95 105.19 109.33 2rlo n GLY 33 Ca 0.30 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.43 0.11 -0.31 1.61 5.36 -1.26 -1.69 117.98 118.37 2rlo s PHE 34 Ca 0.45 0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 56.49 2rlo s PHE 34 Cb -0.23 -0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 42.01 2rlo s PHE 34 CO 0.83 -0.16 0.19 -1.17 -1.46 0.00 0.00 175.22 173.45 2rlo s LEU 35 N 1.75 4.22 0.01 6.12 2.96 -0.92 -2.68 118.68 130.14 2rlo s LEU 35 Ca -0.00 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2rlo s LEU 35 Cb -0.12 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2rlo s LEU 35 CO -0.03 -0.16 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.96 2rlo s LEU 36 N 1.70 2.93 -0.19 -0.68 1.02 -0.98 -0.11 118.68 122.37 2rlo s LEU 36 Ca 0.06 -0.24 -0.09 0.00 0.02 0.00 0.00 54.13 53.88 2rlo s LEU 36 Cb -0.17 -1.69 0.08 0.00 0.02 0.00 0.00 46.19 44.43 2rlo s LEU 36 CO 0.09 0.28 0.43 -0.72 0.02 0.00 0.00 176.35 176.46 2rlo s TYR 37 N -0.94 -0.73 0.29 0.29 1.13 0.47 -0.04 117.35 117.82 2rlo s TYR 37 Ca 0.16 1.46 0.10 0.00 -1.41 0.00 0.00 57.07 57.38 2rlo s TYR 37 Cb -0.11 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 41.02 2rlo s TYR 37 CO 0.06 -0.42 -0.06 -1.01 -2.51 0.00 0.00 175.55 171.60 2rlo s HIS 38 N 2.00 2.52 0.33 -3.49 0.09 0.12 -1.69 115.29 115.16 2rlo s HIS 38 Ca -0.06 -0.33 0.11 0.00 -0.00 0.00 0.00 55.06 54.78 2rlo s HIS 38 Cb -0.10 -1.22 0.94 0.00 -0.00 0.00 0.00 32.58 32.20 2rlo s HIS 38 CO -0.13 0.61 1.71 -1.35 -0.00 0.00 0.00 174.74 175.58 2rlo h PRO 39 N 1.99 0.51 0.00 8.40 0.11 -1.91 -1.25 132.00 139.84 2rlo h PRO 39 Ca -0.42 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.73 2rlo h PRO 39 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2rlo h PRO 39 CO 0.62 0.33 0.33 -1.13 -0.21 0.00 0.00 178.00 177.95 2rlo n SER 40 N -4.92 -1.17 -0.22 -2.05 3.41 -1.26 -3.82 113.62 103.59 2rlo n SER 40 Ca 0.28 -1.67 -0.04 0.00 -0.26 0.00 0.00 58.87 57.19 2rlo n SER 40 Cb 0.80 1.92 0.07 0.00 -0.26 0.00 0.00 64.21 66.74 2rlo n SER 40 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2rlo h ILE 41 N 1.62 1.05 -0.61 -1.33 5.03 -1.86 -0.32 117.51 121.10 2rlo h ILE 41 Ca -0.18 -0.25 0.18 0.00 -0.12 0.00 0.00 64.86 64.49 2rlo h ILE 41 Cb 0.76 0.26 -0.02 0.00 -3.03 0.00 0.00 36.82 34.78 2rlo h ILE 41 CO 0.24 0.13 0.54 0.78 -0.68 0.00 0.00 178.15 179.16 2rlo h ASN 42 N 0.73 0.00 0.15 1.72 -0.26 -1.98 0.46 115.58 116.40 2rlo h ASN 42 Ca 0.26 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.72 2rlo h ASN 42 Cb 0.06 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.34 2rlo h ASN 42 CO -0.12 0.00 -1.13 0.44 -1.06 0.00 0.00 177.43 175.56 2rlo h ASP 43 N 0.00 0.81 0.05 5.81 5.19 -1.45 -1.90 116.42 124.93 2rlo h ASP 43 Ca 0.29 -0.70 -0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2rlo h ASP 43 Cb 1.37 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2rlo h ASP 43 CO -0.00 1.51 -0.03 0.22 -3.12 0.00 0.00 179.24 177.82 2rlo h TYR 44 N 0.30 -0.07 0.59 4.55 3.20 -0.03 0.87 116.97 126.38 2rlo h TYR 44 Ca -0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2rlo h TYR 44 Cb 1.79 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.07 2rlo h TYR 44 CO 0.10 0.50 -0.44 0.82 -1.64 0.00 0.00 178.16 177.49 2rlo h ILE 45 N -0.69 0.00 0.00 1.81 2.04 -0.57 -2.99 117.51 117.11 2rlo h ILE 45 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2rlo h ILE 45 Cb 0.59 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2rlo h ILE 45 CO 0.01 0.00 -0.39 0.45 0.00 0.00 0.00 178.15 178.22 2rlo h HIS 46 N -0.99 0.00 -3.58 1.37 3.86 -1.47 -3.49 115.15 110.85 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 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2rlo h HIS 46 CO -0.15 0.39 -0.03 0.45 0.86 0.00 0.00 177.93 179.45 2rlo n SER 47 N -3.45 -3.45 -2.01 2.45 2.88 0.27 -5.03 113.62 105.28 2rlo n SER 47 Ca 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2rlo n SER 47 Cb 0.55 -2.08 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 2rlo n SER 47 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2rlo n THR 48 N -1.03 0.00 -0.37 2.46 -2.24 0.40 -4.91 114.28 108.58 2rlo n THR 48 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2rlo n THR 48 Cb 0.42 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 2rlo n THR 48 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2rlo n HIS 49 N 0.00 -0.14 -2.63 4.78 -0.00 -1.26 -4.91 115.22 111.06 2rlo n HIS 49 Ca 0.00 1.16 -0.05 0.00 -0.00 0.00 0.00 57.72 58.83 2rlo n HIS 49 Cb 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 29.99 29.20 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2rlo n GLY 50 N -1.36 -5.05 3.74 1.57 0.00 -1.26 -4.94 105.19 97.89 2rlo n GLY 50 Ca 0.07 1.68 -0.40 0.00 0.00 0.00 0.00 46.02 47.37 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 -0.72 4.77 -0.04 1.61 -0.14 -0.68 -4.89 119.74 119.64 2rlo s LYS 51 Ca -0.26 1.44 0.02 0.00 -1.36 0.00 0.00 55.97 55.81 2rlo s LYS 51 Cb 0.02 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.86 2rlo s LYS 51 CO 0.77 0.40 -0.09 -1.83 -0.76 0.00 0.00 175.35 173.85 2rlo s GLU 52 N -0.69 1.09 -0.20 1.68 -1.05 -1.26 -0.39 118.70 117.87 2rlo s GLU 52 Ca 0.43 -0.28 -0.01 0.00 -0.15 0.00 0.00 54.97 54.96 2rlo s GLU 52 Cb -0.25 -0.99 0.01 0.00 -0.44 0.00 0.00 34.13 32.47 2rlo s GLU 52 CO 0.31 0.06 -0.14 1.41 0.95 0.00 0.00 175.26 177.84 2rlo s MET 53 N 0.44 3.07 0.16 -4.83 -2.45 0.85 -4.96 119.30 111.57 2rlo s MET 53 Ca -0.07 -0.80 -0.34 0.00 -1.25 0.00 0.00 55.69 53.23 2rlo s MET 53 Cb -0.11 -2.74 -0.14 0.00 1.25 0.00 0.00 34.83 33.09 2rlo s MET 53 CO 0.01 -0.23 1.60 -3.47 1.05 0.00 0.00 175.02 173.98 2rlo n ASP 54 N 4.67 3.21 -1.93 1.11 -0.08 -1.26 -2.17 116.55 120.10 2rlo n ASP 54 Ca -0.20 1.08 -0.18 0.00 -1.51 0.00 0.00 54.79 53.98 2rlo n ASP 54 Cb 0.50 -1.44 0.13 0.00 2.34 0.00 0.00 41.12 42.64 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 3.55 5.87 -0.06 -2.67 4.77 -0.68 -4.42 117.00 123.36 2rlo n LEU 55 Ca 0.17 -3.11 -0.03 0.00 -0.03 0.00 0.00 56.01 53.01 2rlo n LEU 55 Cb 0.29 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2rlo n LEU 55 CO 0.64 0.93 -0.09 0.25 -1.33 0.00 0.00 177.39 177.79 2rlo h LEU 56 N 1.07 0.00 -4.95 2.23 6.46 -1.89 -3.26 115.31 114.97 2rlo h LEU 56 Ca 0.48 -0.06 -0.58 0.00 -0.12 0.00 0.00 57.88 57.60 2rlo h LEU 56 Cb 2.32 0.00 -0.42 0.00 -0.73 0.00 0.00 40.66 41.83 2rlo h LEU 56 CO 0.85 0.62 -0.72 0.54 -0.62 0.00 0.00 178.44 179.11 2rlo n ARG 57 N -4.72 3.18 -3.79 1.25 1.74 -1.26 -4.66 116.66 108.39 2rlo n ARG 57 Ca -0.03 -4.59 -0.20 0.00 -0.77 0.00 0.00 57.85 52.25 2rlo n ARG 57 Cb 0.12 -2.19 -0.02 0.00 -1.02 0.00 0.00 32.46 29.35 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2rlo s THR 58 N -4.85 4.65 0.14 0.55 -4.23 -1.26 -3.50 115.64 107.14 2rlo s THR 58 Ca 0.47 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2rlo s THR 58 Cb 0.34 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 2rlo s THR 58 CO -0.15 -0.26 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.70 2rlo s THR 59 N -2.08 0.99 -0.09 3.99 2.01 0.16 -4.96 115.64 115.66 2rlo s THR 59 Ca 0.38 -2.02 -0.00 0.00 0.31 0.00 0.00 61.69 60.36 2rlo s THR 59 Cb -0.09 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.60 2rlo s THR 59 CO 0.29 -0.74 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.73 2rlo s VAL 60 N -3.44 0.86 0.11 3.82 1.01 -1.26 -0.83 120.40 120.67 2rlo s VAL 60 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2rlo s VAL 60 Cb 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2rlo s VAL 60 CO -0.00 0.33 0.19 -1.59 0.00 0.00 0.00 175.10 174.03 2rlo s LYS 61 N 1.51 0.93 -0.03 2.72 -2.85 -0.92 -4.95 119.74 116.15 2rlo s LYS 61 Ca 0.00 -1.09 -0.13 0.00 -1.00 0.00 0.00 55.97 53.76 2rlo s LYS 61 Cb -0.13 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2rlo s LYS 61 CO -0.05 -0.30 0.34 0.08 0.10 0.00 0.00 175.35 175.52 2rlo s VAL 62 N -3.91 5.15 -0.93 1.79 1.01 -1.24 0.49 120.40 122.76 2rlo s VAL 62 Ca 0.10 0.68 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 2rlo s VAL 62 Cb 0.05 -3.63 -0.27 0.00 0.00 0.00 0.00 36.38 32.53 2rlo s VAL 62 CO -0.06 0.59 2.29 -2.65 0.00 0.00 0.00 175.10 175.27 2rlo n PRO 63 N 1.87 0.17 0.00 2.72 -0.02 -1.26 -2.93 135.00 135.56 2rlo n PRO 63 Ca -0.15 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2rlo n PRO 63 Cb 0.53 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2rlo n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rlo n GLY 64 N 5.95 1.66 3.75 -1.23 0.00 -1.26 -4.94 105.19 109.12 2rlo n GLY 64 Ca 0.62 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 2rlo n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rlo s LYS 65 N 0.00 1.27 0.79 1.61 2.20 -1.15 -5.06 119.74 119.40 2rlo s LYS 65 Ca 0.00 0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 56.05 2rlo s LYS 65 Cb 0.00 -1.83 0.09 0.00 -1.51 0.00 0.00 37.83 34.58 2rlo s LYS 65 CO 0.00 -2.16 1.13 -0.98 -0.36 0.00 0.00 175.35 172.98 2rlo s ARG 66 N -5.11 1.85 0.44 4.03 1.70 -1.26 -3.61 118.95 116.99 2rlo s ARG 66 Ca 0.63 -0.14 -0.23 0.00 -0.47 0.00 0.00 55.73 55.52 2rlo s ARG 66 Cb -0.16 -2.03 -0.10 0.00 -0.57 0.00 0.00 34.95 32.09 2rlo s ARG 66 CO 0.55 -1.58 0.94 -2.30 -1.08 0.00 0.00 175.30 171.83 2rlo n PRO 67 N -3.22 1.19 -2.22 3.89 -0.02 -1.26 -4.63 135.00 128.72 2rlo n PRO 67 Ca 0.09 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 2rlo n PRO 67 Cb 0.61 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 2rlo n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rlo s PRO 68 N -2.03 2.85 -0.10 0.52 0.04 -1.26 -4.84 135.00 130.18 2rlo s PRO 68 Ca 0.65 -0.00 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 2rlo s PRO 68 Cb -0.55 -4.62 0.03 0.00 0.04 0.00 0.00 34.50 29.40 2rlo s PRO 68 CO 0.56 -2.69 0.28 1.03 0.04 0.00 0.00 177.00 176.22 2rlo s ARG 69 N 6.49 0.34 0.30 4.56 0.52 -1.26 -5.04 118.95 124.86 2rlo s ARG 69 Ca 0.58 0.37 -0.00 0.00 -0.52 0.00 0.00 55.73 56.15 2rlo s ARG 69 Cb -0.09 0.17 0.50 0.00 0.52 0.00 0.00 34.95 36.05 2rlo s ARG 69 CO 0.11 -0.04 1.94 0.00 0.02 0.00 0.00 175.30 177.32 2rlo h ALA 70 N 5.63 1.47 -0.12 2.13 0.00 -2.00 -1.58 119.26 124.80 2rlo h ALA 70 Ca -0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2rlo h ALA 70 Cb 1.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2rlo h ALA 70 CO 0.33 0.43 -0.51 0.82 0.00 0.00 0.00 179.25 180.32 2rlo h ILE 71 N 1.06 1.34 -1.70 0.00 1.08 -1.97 -3.20 117.51 114.12 2rlo h ILE 71 Ca 0.35 -1.77 -0.69 0.00 -0.39 0.00 0.00 64.86 62.36 2rlo h ILE 71 Cb 0.05 1.82 -0.33 0.00 -3.07 0.00 0.00 36.82 35.29 2rlo h ILE 71 CO -0.11 0.53 0.32 -1.54 -0.69 0.00 0.00 178.15 176.66 2rlo n SER 72 N -3.95 6.41 -1.26 1.72 3.41 -0.66 -4.68 113.62 114.62 2rlo n SER 72 Ca -0.02 -3.79 0.05 0.00 -0.26 0.00 0.00 58.87 54.85 2rlo n SER 72 Cb 0.56 -0.81 0.25 0.00 -0.26 0.00 0.00 64.21 63.95 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rlo n ALA 73 N -0.55 3.15 -1.76 7.33 0.00 -0.83 -4.44 120.51 123.42 2rlo n ALA 73 Ca 0.49 -1.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 2rlo n ALA 73 Cb 0.45 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 3.61 0.00 0.00 0.40 -1.26 -5.00 117.98 113.79 2rlo s PHE 74 Ca 0.34 1.73 0.00 0.00 -0.60 0.00 0.00 56.93 58.40 2rlo s PHE 74 Cb 0.24 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.54 2rlo s PHE 74 CO 0.13 -0.42 0.00 0.41 0.70 0.00 0.00 175.22 176.04 2rlo n GLY 75 N 1.17 -1.64 3.63 4.36 0.00 -1.26 -4.87 105.19 106.58 2rlo n GLY 75 Ca -0.01 1.02 -0.44 0.00 0.00 0.00 0.00 46.02 46.59 2rlo n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rlo n PRO 76 N 0.00 1.67 -3.82 1.61 -0.02 -1.26 -4.97 135.00 128.21 2rlo n PRO 76 Ca 0.00 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 2rlo n PRO 76 Cb 0.00 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2rlo s SER 77 N -0.36 5.14 0.04 2.55 0.01 -1.26 -4.93 113.70 114.88 2rlo s SER 77 Ca 0.59 -1.81 0.07 0.00 1.31 0.00 0.00 55.95 56.12 2rlo s SER 77 Cb -0.66 -1.79 -0.23 0.00 0.21 0.00 0.00 66.02 63.55 2rlo s SER 77 CO 0.59 -0.45 0.98 0.00 0.41 0.00 0.00 173.24 174.77 2rlo h ALA 78 N 8.02 0.49 -0.51 1.44 0.00 -2.03 -3.36 119.26 123.31 2rlo h ALA 78 Ca -0.15 -1.15 -0.55 0.00 0.00 0.00 0.00 54.91 53.06 2rlo h ALA 78 Cb 1.05 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2rlo h ALA 78 CO 0.64 1.36 1.01 0.45 0.00 0.00 0.00 179.25 182.71 2rlo n SER 79 N -3.26 6.90 0.00 0.00 2.88 -1.26 -4.94 113.62 113.94 2rlo n SER 79 Ca -0.09 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 2rlo n SER 79 Cb 1.00 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2rlo n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rlo n GLY 80 N 1.32 -0.47 2.40 0.46 0.00 -1.26 -4.85 105.19 102.79 2rlo n GLY 80 Ca 0.53 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.95 -4.87 1.61 3.41 -1.26 -4.65 113.62 108.80 2rlo n SER 81 Ca 0.00 -2.04 -0.30 0.00 -0.26 0.00 0.00 58.87 56.27 2rlo n SER 81 Cb 0.00 -0.26 0.05 0.00 -0.26 0.00 0.00 64.21 63.74 2rlo n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rlo s ALA 82 N -2.23 2.82 -0.41 7.33 0.00 -1.26 -5.04 121.76 122.96 2rlo s ALA 82 Ca 0.25 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.01 2rlo s ALA 82 Cb 0.34 -3.04 0.34 0.00 0.00 0.00 0.00 23.12 20.75 2rlo s ALA 82 CO -0.08 -1.19 0.91 0.41 0.00 0.00 0.00 175.76 175.82 2rlo n GLY 83 N -2.84 2.21 2.75 0.00 0.00 -1.26 -5.00 105.19 101.06 2rlo n GLY 83 Ca 0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 0.30 0.67 -1.47 1.61 7.27 -1.26 -4.98 117.38 119.52 2rlo n GLN 84 Ca 0.16 -1.76 -0.03 0.00 0.07 0.00 0.00 57.00 55.43 2rlo n GLN 84 Cb 0.68 -1.39 -0.01 0.00 2.41 0.00 0.00 30.24 31.93 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 2.03 3.27 -2.26 1.69 0.00 -1.26 -4.92 120.51 119.06 2rlo n ALA 85 Ca 0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 53.44 52.31 2rlo n ALA 85 Cb 0.61 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 2rlo n ALA 85 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rlo n GLU 86 N -0.17 0.27 -0.01 0.00 2.13 -1.26 -4.86 120.64 116.74 2rlo n GLU 86 Ca -0.17 -1.42 -0.13 0.00 0.66 0.00 0.00 57.16 56.10 2rlo n GLU 86 Cb 0.83 0.25 -0.09 0.00 0.27 0.00 0.00 31.44 32.70 2rlo n GLU 86 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2rlo h GLU 87 N 0.52 0.05 -0.50 5.31 5.08 -1.99 -3.38 114.58 119.68 2rlo h GLU 87 Ca -0.45 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 57.63 2rlo h GLU 87 Cb 1.51 -0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.36 2rlo h GLU 87 CO -0.15 0.45 -1.11 0.39 -1.00 0.00 0.00 179.01 177.59 2rlo n GLU 88 N -4.85 1.80 -4.02 2.33 1.02 -1.26 -5.03 120.64 110.63 2rlo n GLU 88 Ca -0.08 -3.53 -0.31 0.00 -0.02 0.00 0.00 57.16 53.22 2rlo n GLU 88 Cb 0.23 -1.62 -0.15 0.00 -0.02 0.00 0.00 31.44 29.87 2rlo n GLU 88 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rlo s ASN 89 N -3.74 4.58 -0.05 1.62 0.01 -1.26 -5.09 114.94 111.00 2rlo s ASN 89 Ca 0.28 -1.85 0.03 0.00 -0.71 0.00 0.00 52.86 50.62 2rlo s ASN 89 Cb 0.34 -1.54 0.01 0.00 0.41 0.00 0.00 41.25 40.46 2rlo s ASN 89 CO -0.03 -0.32 -0.13 0.72 -1.51 0.00 0.00 177.10 175.83 2rlo s PHE 90 N 1.03 1.44 -0.15 2.20 -0.71 -1.26 -4.89 117.98 115.64 2rlo s PHE 90 Ca 0.04 -0.48 -0.08 0.00 -1.04 0.00 0.00 56.93 55.37 2rlo s PHE 90 Cb -0.19 -1.03 0.05 0.00 -1.21 0.00 0.00 43.02 40.64 2rlo s PHE 90 CO -0.08 -0.22 0.37 -1.21 -1.34 0.00 0.00 175.22 172.74 2rlo s GLU 91 N 0.43 0.35 0.09 1.99 8.01 -1.26 -3.33 118.70 124.97 2rlo s GLU 91 Ca -0.10 0.71 0.10 0.00 0.01 0.00 0.00 54.97 55.68 2rlo s GLU 91 Cb -0.14 -0.03 -0.03 0.00 -4.31 0.00 0.00 34.13 29.62 2rlo s GLU 91 CO 0.03 -0.15 -0.25 -0.59 0.01 0.00 0.00 175.26 174.30 2rlo s PHE 92 N 1.28 2.20 -0.01 1.61 -0.12 -0.64 -4.31 117.98 118.00 2rlo s PHE 92 Ca -0.09 -0.39 0.03 0.00 -0.05 0.00 0.00 56.93 56.43 2rlo s PHE 92 Cb -0.08 -1.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.03 2rlo s PHE 92 CO -0.11 0.24 -0.07 -0.51 -0.05 0.00 0.00 175.22 174.72 2rlo s LEU 93 N -1.72 3.15 -0.31 -1.99 1.43 0.18 -1.91 118.68 117.51 2rlo s LEU 93 Ca 0.12 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2rlo s LEU 93 Cb -0.10 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2rlo s LEU 93 CO 0.04 0.30 0.02 -0.63 0.23 0.00 0.00 176.35 176.31 2rlo s ILE 94 N -0.96 3.02 -0.20 -0.59 -1.09 0.26 -2.16 121.20 119.48 2rlo s ILE 94 Ca 0.16 -1.47 -0.08 0.00 -2.23 0.00 0.00 60.65 57.03 2rlo s ILE 94 Cb -0.11 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 2rlo s ILE 94 CO 0.06 -0.18 0.08 -0.69 -1.23 0.00 0.00 174.94 172.99 2rlo s VAL 95 N 1.24 4.88 0.29 2.92 1.01 -0.01 0.19 120.40 130.92 2rlo s VAL 95 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2rlo s VAL 95 Cb -0.20 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.02 2rlo s VAL 95 CO -0.01 0.43 0.40 -0.24 0.00 0.00 0.00 175.10 175.68 2rlo n SER 96 N 3.76 0.62 -0.40 3.32 2.88 0.61 0.40 113.62 124.82 2rlo n SER 96 Ca -0.16 -1.51 0.14 0.00 -1.33 0.00 0.00 58.87 56.01 2rlo n SER 96 Cb 0.52 -0.25 0.60 0.00 -0.75 0.00 0.00 64.21 64.33 2rlo n SER 96 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rlo n SER 97 N -2.92 1.24 -0.69 -3.46 7.64 -1.23 -3.65 113.62 110.56 2rlo n SER 97 Ca 0.07 -1.41 0.06 0.00 1.01 0.00 0.00 58.87 58.59 2rlo n SER 97 Cb 0.25 -0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.65 2rlo n SER 97 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2rlo n THR 98 N -0.03 2.23 0.00 0.44 5.66 -1.26 -4.94 114.28 116.38 2rlo n THR 98 Ca 0.20 -2.31 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 2rlo n THR 98 Cb 0.31 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -0.97 3.03 3.66 1.09 0.00 -1.24 -4.98 105.19 105.79 2rlo n GLY 99 Ca 0.22 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.89 1.90 -3.93 1.61 -0.06 -1.26 -4.71 117.38 109.04 2rlo n GLN 100 Ca 0.00 0.69 -0.29 0.00 -2.00 0.00 0.00 57.00 55.40 2rlo n GLN 100 Cb 0.00 -2.45 -0.16 0.00 -4.06 0.00 0.00 30.24 23.57 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 1.81 1.30 -0.49 1.69 2.01 -1.26 -0.28 115.64 120.42 2rlo s THR 101 Ca 0.85 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 2rlo s THR 101 Cb -0.76 -1.45 0.06 0.00 0.01 0.00 0.00 72.50 70.35 2rlo s THR 101 CO 0.45 0.13 0.57 0.26 -0.69 0.00 0.00 174.62 175.34 2rlo s TRP 102 N 1.54 3.09 -0.32 4.92 0.52 0.13 -4.87 118.94 123.95 2rlo s TRP 102 Ca -0.00 -0.59 -0.17 0.00 0.02 0.00 0.00 56.10 55.36 2rlo s TRP 102 Cb -0.16 -3.43 -0.01 0.00 -1.15 0.00 0.00 33.47 28.72 2rlo s TRP 102 CO -0.08 -0.97 0.48 -1.58 0.02 0.00 0.00 176.95 174.82 2rlo s HIS 103 N 2.43 3.20 0.14 -1.98 2.46 -1.26 -0.58 115.29 119.70 2rlo s HIS 103 Ca 0.13 0.25 0.07 0.00 0.47 0.00 0.00 55.06 55.99 2rlo s HIS 103 Cb -0.20 -2.82 -0.04 0.00 -0.13 0.00 0.00 32.58 29.40 2rlo s HIS 103 CO 0.11 -0.45 -0.17 -0.06 -2.47 0.00 0.00 174.74 171.70 2rlo s PHE 104 N 2.29 1.66 -0.30 3.88 0.08 -0.80 -4.15 117.98 120.64 2rlo s PHE 104 Ca 0.18 -0.49 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 2rlo s PHE 104 Cb -0.16 -0.86 0.06 0.00 -0.57 0.00 0.00 43.02 41.49 2rlo s PHE 104 CO 0.12 0.24 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.47 2rlo s GLU 105 N -2.54 2.31 0.00 0.44 2.12 0.53 -1.62 118.70 119.95 2rlo s GLU 105 Ca 0.11 -1.35 -0.35 0.00 0.36 0.00 0.00 54.97 53.74 2rlo s GLU 105 Cb -0.06 -3.14 -0.14 0.00 0.26 0.00 0.00 34.13 31.05 2rlo s GLU 105 CO 0.05 -0.66 1.68 0.00 -0.54 0.00 0.00 175.26 175.80 2rlo n ALA 106 N 4.56 0.69 0.11 6.30 0.00 -1.21 -2.27 120.51 128.68 2rlo n ALA 106 Ca -0.12 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 2rlo n ALA 106 Cb 0.43 -2.36 0.15 0.00 0.00 0.00 0.00 19.45 17.67 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 7.16 0.92 -4.11 0.00 0.00 -1.92 -3.43 119.26 117.88 2rlo h ALA 107 Ca -0.47 -0.54 -0.68 0.00 0.00 0.00 0.00 54.91 53.22 2rlo h ALA 107 Cb 1.28 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 2rlo h ALA 107 CO 0.91 0.73 -0.88 -1.12 0.00 0.00 0.00 179.25 178.88 2rlo s SER 108 N -6.88 2.99 0.13 0.00 0.01 -1.26 -5.04 113.70 103.64 2rlo s SER 108 Ca -0.03 -0.49 -0.23 0.00 1.31 0.00 0.00 55.95 56.51 2rlo s SER 108 Cb 0.12 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 2rlo s SER 108 CO 0.78 0.25 1.67 -0.26 0.41 0.00 0.00 173.24 176.09 2rlo h PHE 109 N 5.98 -0.38 -0.97 2.43 0.04 -2.00 0.95 116.94 122.99 2rlo h PHE 109 Ca -0.34 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.47 2rlo h PHE 109 Cb 1.17 0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.45 2rlo h PHE 109 CO 0.42 -0.22 0.64 1.49 -0.60 0.00 0.00 178.31 180.05 2rlo h GLU 110 N -0.20 1.26 -0.20 1.51 4.57 -1.99 -1.68 114.58 117.86 2rlo h GLU 110 Ca 0.08 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2rlo h GLU 110 Cb 0.32 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2rlo h GLU 110 CO -0.22 0.84 -0.16 1.49 -1.18 0.00 0.00 179.01 179.78 2rlo h GLU 111 N 1.30 0.35 -0.20 1.92 4.81 -1.78 -2.35 114.58 118.62 2rlo h GLU 111 Ca 0.36 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2rlo h GLU 111 Cb -0.13 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2rlo h GLU 111 CO -0.08 0.51 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.59 2rlo h ARG 112 N 0.32 0.03 -0.42 1.92 1.12 0.15 0.18 114.38 117.68 2rlo h ARG 112 Ca 0.06 -0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.79 2rlo h ARG 112 Cb 0.48 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2rlo h ARG 112 CO 0.03 0.02 -0.28 -0.44 -3.11 0.00 0.00 179.97 176.19 2rlo h ASP 113 N 0.04 0.94 -0.06 -3.80 5.19 -1.46 -1.90 116.42 115.37 2rlo h ASP 113 Ca 0.09 -0.38 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2rlo h ASP 113 Cb 0.13 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 2rlo h ASP 113 CO -0.18 1.16 -0.02 0.00 -3.12 0.00 0.00 179.24 177.08 2rlo h ALA 114 N 0.90 0.04 0.38 3.45 0.00 -0.92 0.25 119.26 123.36 2rlo h ALA 114 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2rlo h ALA 114 Cb 0.85 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2rlo h ALA 114 CO 0.07 -0.49 -0.25 -1.49 0.00 0.00 0.00 179.25 177.09 2rlo h TRP 115 N -0.00 -0.64 -0.80 0.00 4.06 -0.61 1.40 115.95 119.36 2rlo h TRP 115 Ca 0.03 -0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.10 2rlo h TRP 115 Cb 0.05 0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.38 2rlo h TRP 115 CO -0.12 -0.38 0.52 0.28 -3.56 0.00 0.00 178.44 175.18 2rlo h VAL 116 N -0.61 0.87 0.00 1.49 2.07 -1.18 0.32 116.25 119.20 2rlo h VAL 116 Ca -0.04 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 2rlo h VAL 116 Cb 0.51 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2rlo h VAL 116 CO 0.03 0.11 -0.75 1.56 0.02 0.00 0.00 177.57 178.55 2rlo h GLN 117 N 0.61 0.00 0.11 1.57 4.20 0.22 -2.48 115.11 119.34 2rlo h GLN 117 Ca 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 2rlo h GLN 117 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2rlo h GLN 117 CO -0.15 0.75 -0.05 0.00 -0.67 0.00 0.00 178.83 178.71 2rlo h ALA 118 N 1.25 -0.15 -0.36 3.87 0.00 0.54 0.51 119.26 124.93 2rlo h ALA 118 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2rlo h ALA 118 Cb 1.50 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2rlo h ALA 118 CO 0.10 -0.38 0.20 0.82 0.00 0.00 0.00 179.25 179.98 2rlo h ILE 119 N -0.54 1.14 -0.15 0.00 5.03 -0.88 0.29 117.51 122.39 2rlo h ILE 119 Ca -0.01 -0.35 -0.08 0.00 -0.12 0.00 0.00 64.86 64.29 2rlo h ILE 119 Cb 0.44 0.72 -0.01 0.00 -3.03 0.00 0.00 36.82 34.94 2rlo h ILE 119 CO 0.02 0.14 -0.28 -0.33 -0.68 0.00 0.00 178.15 177.03 2rlo h GLU 120 N 0.45 0.28 -0.18 2.37 4.39 -1.45 -1.77 114.58 118.67 2rlo h GLU 120 Ca 0.13 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2rlo h GLU 120 Cb 0.05 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2rlo h GLU 120 CO -0.02 0.54 -0.22 1.03 -1.16 0.00 0.00 179.01 179.18 2rlo h SER 121 N 0.25 0.50 0.07 1.42 0.87 0.67 -1.76 113.55 115.58 2rlo h SER 121 Ca 0.04 -0.50 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 2rlo h SER 121 Cb 0.63 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2rlo h SER 121 CO 0.05 0.90 -0.15 1.56 -0.53 0.00 0.00 176.83 178.66 2rlo h GLN 122 N 0.11 0.16 -0.09 2.24 7.50 -0.29 -1.78 115.11 122.96 2rlo h GLN 122 Ca 0.02 -0.04 -0.20 0.00 0.50 0.00 0.00 58.65 58.94 2rlo h GLN 122 Cb 0.78 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.29 2rlo h GLN 122 CO 0.05 0.32 -0.75 0.82 -1.50 0.00 0.00 178.83 177.77 2rlo h ILE 123 N 0.16 1.35 -0.29 2.54 2.04 -1.22 -1.53 117.51 120.57 2rlo h ILE 123 Ca 0.03 -2.11 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 2rlo h ILE 123 Cb 0.36 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2rlo h ILE 123 CO 0.02 0.64 -0.34 -0.07 0.00 0.00 0.00 178.15 178.41 2rlo h LEU 124 N 0.34 0.65 -0.32 1.44 4.07 -0.80 -0.42 115.31 120.27 2rlo h LEU 124 Ca -0.04 -0.27 -0.18 0.00 0.08 0.00 0.00 57.88 57.47 2rlo h LEU 124 Cb 1.34 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 2rlo h LEU 124 CO 0.14 0.94 -0.85 0.00 -1.08 0.00 0.00 178.44 177.58 2rlo h ALA 125 N 1.10 0.58 0.00 1.53 0.00 -1.32 -3.20 119.26 117.95 2rlo h ALA 125 Ca 0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 54.91 54.06 2rlo h ALA 125 Cb 0.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2rlo h ALA 125 CO 0.07 0.98 -0.80 1.03 0.00 0.00 0.00 179.25 180.53 2rlo h SER 126 N 0.05 0.00 -0.31 0.00 0.87 -1.12 -3.28 113.55 109.75 2rlo h SER 126 Ca -0.02 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2rlo h SER 126 Cb 1.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 2rlo h SER 126 CO 0.12 0.80 0.19 -0.07 -0.53 0.00 0.00 176.83 177.34 2rlo h LEU 127 N 0.00 0.32 0.00 2.23 3.38 -1.07 -3.49 115.31 116.68 2rlo h LEU 127 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2rlo h LEU 127 Cb 1.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2rlo h LEU 127 CO 0.10 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.87