#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 1.63 -0.11 5.13 0.00 -1.26 -5.04 121.76 122.10 2rlo s ALA 2 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2rlo s ALA 2 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2rlo s ALA 2 CO 0.00 -2.40 -0.20 0.42 0.00 0.00 0.00 175.76 173.58 2rlo s ILE 3 N -2.79 2.38 0.12 0.00 -1.09 -1.26 -4.92 121.20 113.64 2rlo s ILE 3 Ca 0.64 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.85 2rlo s ILE 3 Cb -0.20 -1.95 -0.09 0.00 -1.58 0.00 0.00 42.46 38.64 2rlo s ILE 3 CO 0.58 0.55 1.61 -2.84 -1.23 0.00 0.00 174.94 173.60 2rlo s PRO 4 N 0.39 4.21 0.16 2.79 0.02 -1.26 -0.59 135.00 140.71 2rlo s PRO 4 Ca -0.15 2.34 0.22 0.00 0.02 0.00 0.00 61.00 63.43 2rlo s PRO 4 Cb -0.17 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 2rlo s PRO 4 CO 0.07 -0.67 0.96 -0.89 -0.33 0.00 0.00 177.00 176.14 2rlo n ILE 5 N 4.35 0.50 0.00 2.83 2.08 0.78 -4.88 119.36 125.02 2rlo n ILE 5 Ca 0.15 -0.52 0.00 0.00 0.56 0.00 0.00 62.75 62.93 2rlo n ILE 5 Cb 0.40 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 2rlo n ILE 5 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2rlo n LYS 6 N -2.57 0.00 -3.86 0.38 3.00 -0.76 -4.86 118.16 109.49 2rlo n LYS 6 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 2rlo n LYS 6 Cb 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.41 2rlo n LYS 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2rlo s GLN 7 N 0.00 1.25 0.12 1.64 -2.07 -1.26 0.91 119.66 120.24 2rlo s GLN 7 Ca 0.00 -0.59 -0.11 0.00 -1.82 0.00 0.00 55.36 52.84 2rlo s GLN 7 Cb 0.00 -2.15 0.04 0.00 -1.09 0.00 0.00 33.01 29.81 2rlo s GLN 7 CO 0.00 -0.52 0.52 -1.13 -1.32 0.00 0.00 175.29 172.83 2rlo n SER 8 N 4.88 -0.97 -4.77 12.60 3.41 0.02 -4.98 113.62 123.81 2rlo n SER 8 Ca -0.11 -1.54 -0.39 0.00 -0.26 0.00 0.00 58.87 56.56 2rlo n SER 8 Cb 0.47 1.58 -0.06 0.00 -0.26 0.00 0.00 64.21 65.93 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 -4.24 3.92 0.12 7.33 0.08 -1.26 -0.60 117.98 123.33 2rlo s PHE 9 Ca 0.11 1.69 0.04 0.00 0.12 0.00 0.00 56.93 58.89 2rlo s PHE 9 Cb -0.02 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 2rlo s PHE 9 CO 0.04 0.50 -0.09 -0.51 -0.10 0.00 0.00 175.22 175.05 2rlo s LEU 10 N -1.18 2.47 -0.08 -0.37 1.02 -0.73 -4.18 118.68 115.63 2rlo s LEU 10 Ca 0.37 -0.93 -0.15 0.00 0.02 0.00 0.00 54.13 53.44 2rlo s LEU 10 Cb -0.24 -0.28 -0.05 0.00 0.02 0.00 0.00 46.19 45.65 2rlo s LEU 10 CO 0.27 -0.33 0.38 -0.76 0.02 0.00 0.00 176.35 175.94 2rlo s LEU 11 N -2.84 4.36 -0.15 1.79 1.02 -0.90 0.12 118.68 122.09 2rlo s LEU 11 Ca 0.11 0.79 0.01 0.00 0.02 0.00 0.00 54.13 55.06 2rlo s LEU 11 Cb 0.01 -2.54 0.02 0.00 0.02 0.00 0.00 46.19 43.70 2rlo s LEU 11 CO -0.01 0.19 -0.15 -0.75 0.02 0.00 0.00 176.35 175.65 2rlo s LYS 12 N -0.26 2.37 0.56 1.70 2.47 -0.34 -1.09 119.74 125.14 2rlo s LYS 12 Ca 0.22 -0.59 -0.20 0.00 -1.56 0.00 0.00 55.97 53.85 2rlo s LYS 12 Cb -0.15 -2.13 -0.06 0.00 -1.46 0.00 0.00 37.83 34.02 2rlo s LYS 12 CO 0.10 -0.21 0.98 0.54 0.16 0.00 0.00 175.35 176.91 2rlo n ARG 13 N 4.70 1.03 -0.08 4.03 1.74 -1.26 -0.94 116.66 125.88 2rlo n ARG 13 Ca -0.18 0.39 -0.08 0.00 -0.77 0.00 0.00 57.85 57.21 2rlo n ARG 13 Cb 0.50 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 2rlo n ARG 13 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2rlo h SER 14 N 0.76 0.00 0.00 0.55 0.87 0.27 -3.46 113.55 112.54 2rlo h SER 14 Ca -0.48 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2rlo h SER 14 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2rlo h SER 14 CO 0.52 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 178.33 2rlo n GLY 15 N 1.59 -0.64 0.00 5.77 0.00 -1.26 -5.07 105.19 105.59 2rlo n GLY 15 Ca -0.12 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -0.18 1.61 5.15 -1.26 -5.03 115.26 115.54 2rlo n ASN 16 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 2rlo n ASN 16 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 2rlo n ASN 16 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2rlo h SER 17 N 0.00 0.79 -0.69 1.20 0.87 -2.01 -1.92 113.55 111.79 2rlo h SER 17 Ca 0.00 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.37 2rlo h SER 17 Cb 0.00 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 2rlo h SER 17 CO 0.00 0.81 0.45 -0.07 -0.53 0.00 0.00 176.83 177.50 2rlo h LEU 18 N 0.72 0.69 -6.42 2.23 3.38 -2.09 -3.37 115.31 110.46 2rlo h LEU 18 Ca 0.16 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.76 2rlo h LEU 18 Cb 0.33 -0.16 -0.32 0.00 0.09 0.00 0.00 40.66 40.60 2rlo h LEU 18 CO 0.00 0.47 -0.68 0.20 0.09 0.00 0.00 178.44 178.52 2rlo s ASN 19 N -6.32 1.46 1.01 -0.43 -0.87 -1.04 -5.15 114.94 103.60 2rlo s ASN 19 Ca -0.10 -1.33 -0.13 0.00 -1.57 0.00 0.00 52.86 49.74 2rlo s ASN 19 Cb 0.19 0.48 0.14 0.00 -0.02 0.00 0.00 41.25 42.03 2rlo s ASN 19 CO 0.77 -0.31 0.73 0.29 -2.57 0.00 0.00 177.10 176.01 2rlo n LYS 20 N 4.61 -0.97 -3.15 -0.60 4.76 -0.75 -4.52 118.16 117.55 2rlo n LYS 20 Ca 0.07 -0.24 0.04 0.00 -2.87 0.00 0.00 58.31 55.30 2rlo n LYS 20 Cb 0.45 -2.08 -0.00 0.00 -1.84 0.00 0.00 35.03 31.56 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2rlo s GLU 21 N -4.11 0.52 -0.00 1.97 2.12 -1.26 -5.00 118.70 112.94 2rlo s GLU 21 Ca 0.63 0.34 -0.10 0.00 0.36 0.00 0.00 54.97 56.20 2rlo s GLU 21 Cb -0.21 0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 2rlo s GLU 21 CO 0.64 -0.92 0.33 -1.58 -0.54 0.00 0.00 175.26 173.18 2rlo s TRP 22 N 2.67 3.64 0.21 5.30 0.52 -1.26 1.00 118.94 131.02 2rlo s TRP 22 Ca 0.14 0.77 0.10 0.00 0.02 0.00 0.00 56.10 57.13 2rlo s TRP 22 Cb -0.07 -2.13 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2rlo s TRP 22 CO -0.22 0.63 -0.15 0.15 0.02 0.00 0.00 176.95 177.37 2rlo s LYS 23 N -1.42 1.84 0.05 4.98 3.01 -0.11 -4.75 119.74 123.33 2rlo s LYS 23 Ca 0.25 -1.47 -0.30 0.00 -1.01 0.00 0.00 55.97 53.44 2rlo s LYS 23 Cb -0.14 -1.98 -0.08 0.00 -1.01 0.00 0.00 37.83 34.61 2rlo s LYS 23 CO 0.13 0.40 1.69 0.15 0.51 0.00 0.00 175.35 178.23 2rlo s LYS 24 N -3.00 4.19 0.34 1.68 -0.14 -1.26 -1.20 119.74 120.34 2rlo s LYS 24 Ca 0.25 2.35 0.01 0.00 -1.36 0.00 0.00 55.97 57.22 2rlo s LYS 24 Cb -0.07 -3.73 -0.01 0.00 -1.68 0.00 0.00 37.83 32.34 2rlo s LYS 24 CO 0.14 -0.78 0.05 1.63 -0.76 0.00 0.00 175.35 175.63 2rlo n LYS 25 N 6.08 0.89 -3.69 1.68 5.02 0.33 -4.59 118.16 123.88 2rlo n LYS 25 Ca 0.17 -2.64 -0.24 0.00 -2.02 0.00 0.00 58.31 53.57 2rlo n LYS 25 Cb 0.41 1.06 -0.17 0.00 -0.02 0.00 0.00 35.03 36.30 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2rlo s TYR 26 N -2.51 0.44 0.07 2.13 6.14 -0.77 -1.78 117.35 121.06 2rlo s TYR 26 Ca 0.08 -0.24 0.09 0.00 0.64 0.00 0.00 57.07 57.64 2rlo s TYR 26 Cb 0.00 -0.73 -0.03 0.00 0.42 0.00 0.00 41.96 41.62 2rlo s TYR 26 CO 0.05 -0.40 -0.26 0.08 0.64 0.00 0.00 175.55 175.66 2rlo s VAL 27 N 2.05 2.09 -0.16 3.14 1.01 0.23 0.22 120.40 128.98 2rlo s VAL 27 Ca 0.03 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 2rlo s VAL 27 Cb -0.14 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.48 2rlo s VAL 27 CO -0.06 0.24 0.07 -0.89 0.00 0.00 0.00 175.10 174.46 2rlo s THR 28 N -0.90 0.05 -0.34 3.92 2.01 0.81 -0.80 115.64 120.39 2rlo s THR 28 Ca 0.12 -0.20 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2rlo s THR 28 Cb -0.10 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.77 2rlo s THR 28 CO 0.03 -0.23 0.69 -0.22 -0.69 0.00 0.00 174.62 174.21 2rlo s LEU 29 N 2.08 4.17 0.27 4.42 1.98 0.26 -2.25 118.68 129.61 2rlo s LEU 29 Ca 0.02 0.35 0.07 0.00 -2.89 0.00 0.00 54.13 51.67 2rlo s LEU 29 Cb -0.16 -2.89 -0.03 0.00 0.66 0.00 0.00 46.19 43.76 2rlo s LEU 29 CO -0.08 -0.60 0.23 -0.55 -1.89 0.00 0.00 176.35 173.46 2rlo s SER 30 N 1.74 5.53 0.00 3.68 0.15 -1.13 0.27 113.70 123.95 2rlo s SER 30 Ca 0.27 -0.28 0.22 0.00 0.70 0.00 0.00 55.95 56.86 2rlo s SER 30 Cb -0.14 -1.34 1.30 0.00 -1.71 0.00 0.00 66.02 64.13 2rlo s SER 30 CO 0.14 -0.12 1.74 -1.54 1.20 0.00 0.00 173.24 174.66 2rlo n SER 31 N -1.24 0.00 -1.43 5.45 3.41 0.24 -3.45 113.62 116.60 2rlo n SER 31 Ca -0.06 -0.99 -0.06 0.00 -0.26 0.00 0.00 58.87 57.50 2rlo n SER 31 Cb 0.58 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.66 2rlo n SER 31 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2rlo n ASN 32 N -0.91 3.33 -3.87 4.04 0.23 -1.26 -4.85 115.26 111.97 2rlo n ASN 32 Ca 0.16 -2.65 -0.30 0.00 -0.53 0.00 0.00 54.58 51.27 2rlo n ASN 32 Cb 0.07 -0.63 0.02 0.00 -2.08 0.00 0.00 39.78 37.16 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rlo n GLY 33 N -0.06 -0.50 2.73 4.83 0.00 -1.22 -4.96 105.19 106.01 2rlo n GLY 33 Ca 0.23 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.27 0.22 -0.32 1.61 2.19 -1.26 -1.96 117.98 115.19 2rlo s PHE 34 Ca 0.65 0.11 -0.12 0.00 0.33 0.00 0.00 56.93 57.90 2rlo s PHE 34 Cb -0.33 -0.49 -0.03 0.00 -1.31 0.00 0.00 43.02 40.87 2rlo s PHE 34 CO 0.80 -0.19 0.22 -1.17 1.83 0.00 0.00 175.22 176.72 2rlo s LEU 35 N 1.72 4.36 0.09 6.12 2.96 -0.93 -2.82 118.68 130.20 2rlo s LEU 35 Ca -0.00 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2rlo s LEU 35 Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2rlo s LEU 35 CO -0.03 -0.17 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.95 2rlo s LEU 36 N 1.73 2.99 -0.26 -0.68 1.02 -0.96 -0.09 118.68 122.44 2rlo s LEU 36 Ca 0.06 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.67 2rlo s LEU 36 Cb -0.17 -1.79 0.07 0.00 0.02 0.00 0.00 46.19 44.33 2rlo s LEU 36 CO 0.11 0.19 0.63 -0.72 0.02 0.00 0.00 176.35 176.58 2rlo s TYR 37 N -1.18 -0.96 0.28 0.29 1.13 0.13 -0.13 117.35 116.91 2rlo s TYR 37 Ca 0.20 1.95 0.11 0.00 -1.41 0.00 0.00 57.07 57.93 2rlo s TYR 37 Cb -0.11 0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 41.24 2rlo s TYR 37 CO 0.12 -0.48 -0.16 -1.01 -2.51 0.00 0.00 175.55 171.51 2rlo s HIS 38 N 1.51 2.36 0.46 -3.49 0.09 0.13 -1.61 115.29 114.75 2rlo s HIS 38 Ca -0.09 -0.32 0.23 0.00 -0.00 0.00 0.00 55.06 54.88 2rlo s HIS 38 Cb -0.06 -1.05 1.24 0.00 -0.00 0.00 0.00 32.58 32.71 2rlo s HIS 38 CO -0.17 0.69 1.84 -1.35 -0.00 0.00 0.00 174.74 175.75 2rlo h PRO 39 N 2.19 0.25 0.00 8.40 0.11 -1.86 -2.06 132.00 139.03 2rlo h PRO 39 Ca -0.41 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.76 2rlo h PRO 39 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2rlo h PRO 39 CO 0.61 0.17 0.30 0.45 -0.21 0.00 0.00 178.00 179.31 2rlo n SER 40 N -4.45 -1.01 -0.16 -2.05 2.88 -1.26 -4.27 113.62 103.30 2rlo n SER 40 Ca 0.21 -1.57 -0.08 0.00 -1.33 0.00 0.00 58.87 56.10 2rlo n SER 40 Cb 0.87 1.65 0.01 0.00 -0.75 0.00 0.00 64.21 65.99 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 1.54 1.21 -0.73 2.46 5.03 -1.88 -1.96 117.51 123.18 2rlo h ILE 41 Ca -0.16 -0.64 0.21 0.00 -0.12 0.00 0.00 64.86 64.16 2rlo h ILE 41 Cb 0.67 0.74 -0.03 0.00 -3.03 0.00 0.00 36.82 35.17 2rlo h ILE 41 CO 0.21 0.24 0.56 0.78 -0.68 0.00 0.00 178.15 179.26 2rlo h ASN 42 N 0.63 0.00 0.17 1.72 4.21 -1.98 0.38 115.58 120.70 2rlo h ASN 42 Ca 0.16 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.40 2rlo h ASN 42 Cb 0.19 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.41 2rlo h ASN 42 CO -0.01 0.00 -1.11 0.44 -1.29 0.00 0.00 177.43 175.46 2rlo h ASP 43 N 0.00 0.78 0.06 5.81 5.19 -1.67 -1.71 116.42 124.88 2rlo h ASP 43 Ca 0.35 -0.67 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2rlo h ASP 43 Cb 1.47 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2rlo h ASP 43 CO -0.00 1.48 -0.03 0.22 -3.12 0.00 0.00 179.24 177.79 2rlo h TYR 44 N 0.29 -0.07 0.81 4.55 3.20 -0.15 0.89 116.97 126.49 2rlo h TYR 44 Ca -0.14 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 2rlo h TYR 44 Cb 1.77 0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.07 2rlo h TYR 44 CO 0.09 0.43 -0.40 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.61 0.00 0.00 1.81 2.04 -0.66 -3.16 117.51 116.94 2rlo h ILE 45 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2rlo h ILE 45 Cb 0.53 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2rlo h ILE 45 CO 0.01 0.00 -0.30 0.45 0.00 0.00 0.00 178.15 178.31 2rlo h HIS 46 N -1.10 0.00 -3.32 1.37 3.86 -1.44 -3.49 115.15 111.04 2rlo h HIS 46 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2rlo h HIS 46 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2rlo h HIS 46 CO 0.04 0.30 -0.03 0.43 0.86 0.00 0.00 177.93 179.53 2rlo n SER 47 N -3.38 -2.81 -4.05 2.45 7.64 0.28 -5.02 113.62 108.73 2rlo n SER 47 Ca 0.01 0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.61 2rlo n SER 47 Cb 0.51 -1.60 -0.16 0.00 -1.01 0.00 0.00 64.21 61.94 2rlo n SER 47 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rlo s THR 48 N -2.24 1.69 0.00 0.44 -4.23 0.81 -4.85 115.64 107.26 2rlo s THR 48 Ca 0.01 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2rlo s THR 48 Cb -0.00 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.27 2rlo s THR 48 CO 0.10 0.48 0.00 1.57 -0.54 0.00 0.00 174.62 176.23 2rlo n HIS 49 N 4.67 0.00 -3.14 3.99 -0.00 -1.26 -4.72 115.22 114.76 2rlo n HIS 49 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.49 2rlo n HIS 49 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.50 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 0.00 -0.77 3.71 1.57 0.00 -1.26 -4.90 105.19 103.54 2rlo n GLY 50 Ca 0.00 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.34 4.46 -0.02 1.61 -0.14 -0.63 -4.92 119.74 118.76 2rlo s LYS 51 Ca 0.06 1.05 0.03 0.00 -1.36 0.00 0.00 55.97 55.75 2rlo s LYS 51 Cb -0.01 -3.46 -0.00 0.00 -1.68 0.00 0.00 37.83 32.68 2rlo s LYS 51 CO 0.27 -0.01 -0.11 -1.83 -0.76 0.00 0.00 175.35 172.91 2rlo s GLU 52 N 0.99 1.04 -0.15 1.68 4.04 -1.26 0.18 118.70 125.22 2rlo s GLU 52 Ca 0.42 -0.39 0.01 0.00 0.04 0.00 0.00 54.97 55.05 2rlo s GLU 52 Cb -0.19 -0.97 0.02 0.00 0.02 0.00 0.00 34.13 33.01 2rlo s GLU 52 CO 0.20 0.19 -0.18 1.41 -1.84 0.00 0.00 175.26 175.04 2rlo s MET 53 N -0.04 2.70 0.17 -4.83 1.75 0.87 -4.97 119.30 114.96 2rlo s MET 53 Ca 0.00 -0.72 -0.33 0.00 -1.25 0.00 0.00 55.69 53.39 2rlo s MET 53 Cb -0.07 -2.31 -0.14 0.00 2.84 0.00 0.00 34.83 35.15 2rlo s MET 53 CO 0.00 -0.15 1.56 -3.47 -0.65 0.00 0.00 175.02 172.32 2rlo n ASP 54 N 4.46 3.09 -1.81 1.11 2.03 -1.26 -2.18 116.55 121.99 2rlo n ASP 54 Ca -0.19 1.09 -0.09 0.00 0.52 0.00 0.00 54.79 56.12 2rlo n ASP 54 Cb 0.51 -1.43 0.21 0.00 -0.72 0.00 0.00 41.12 39.69 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2rlo n LEU 55 N 3.25 5.42 -0.05 -2.67 4.77 -0.83 -4.38 117.00 122.52 2rlo n LEU 55 Ca 0.16 -2.83 -0.01 0.00 -0.03 0.00 0.00 56.01 53.30 2rlo n LEU 55 Cb 0.29 -0.72 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2rlo n LEU 55 CO 0.63 0.77 -0.09 0.25 -1.33 0.00 0.00 177.39 177.62 2rlo h LEU 56 N 1.89 0.00 -4.79 2.23 6.46 -1.87 -3.17 115.31 116.06 2rlo h LEU 56 Ca 0.29 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.42 2rlo h LEU 56 Cb 2.13 0.00 -0.39 0.00 -0.73 0.00 0.00 40.66 41.67 2rlo h LEU 56 CO 0.67 0.48 -0.36 -1.14 -0.62 0.00 0.00 178.44 177.46 2rlo n ARG 57 N -4.27 3.38 -3.86 1.25 0.00 -1.26 -4.49 116.66 107.41 2rlo n ARG 57 Ca -0.02 -4.42 -0.21 0.00 -0.00 0.00 0.00 57.85 53.20 2rlo n ARG 57 Cb 0.07 -2.26 -0.02 0.00 0.00 0.00 0.00 32.46 30.24 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2rlo s THR 58 N -5.24 4.55 0.27 5.15 -4.23 -1.26 -3.75 115.64 111.12 2rlo s THR 58 Ca 0.48 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 2rlo s THR 58 Cb 0.38 -3.55 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 2rlo s THR 58 CO -0.21 -0.27 0.02 -0.89 -0.54 0.00 0.00 174.62 172.72 2rlo s THR 59 N -2.11 1.09 -0.13 3.99 2.01 0.62 -4.95 115.64 116.17 2rlo s THR 59 Ca 0.37 -2.03 -0.00 0.00 0.31 0.00 0.00 61.69 60.34 2rlo s THR 59 Cb -0.08 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.93 2rlo s THR 59 CO 0.28 -0.19 -0.08 0.68 -0.69 0.00 0.00 174.62 174.62 2rlo s VAL 60 N -3.38 1.14 0.31 3.82 -7.23 -1.26 -1.08 120.40 112.71 2rlo s VAL 60 Ca 0.32 -0.41 0.09 0.00 -1.81 0.00 0.00 61.98 60.17 2rlo s VAL 60 Cb 0.07 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 2rlo s VAL 60 CO 0.12 0.34 0.07 -0.54 -0.31 0.00 0.00 175.10 174.78 2rlo s LYS 61 N 1.66 2.33 -0.07 4.82 1.02 -0.83 -4.91 119.74 123.76 2rlo s LYS 61 Ca 0.04 -1.50 -0.04 0.00 0.02 0.00 0.00 55.97 54.49 2rlo s LYS 61 Cb -0.13 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 2rlo s LYS 61 CO -0.09 0.22 0.16 0.14 -0.92 0.00 0.00 175.35 174.86 2rlo s VAL 62 N -2.39 -0.04 -0.45 3.17 -7.23 -1.26 0.07 120.40 112.27 2rlo s VAL 62 Ca 0.35 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.47 2rlo s VAL 62 Cb -0.04 -0.25 -0.18 0.00 0.56 0.00 0.00 36.38 36.48 2rlo s VAL 62 CO 0.21 0.05 1.71 -2.65 -0.31 0.00 0.00 175.10 174.12 2rlo n PRO 63 N 3.89 0.94 0.00 4.82 -0.02 -1.26 -3.63 135.00 139.74 2rlo n PRO 63 Ca -0.23 -1.32 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 2rlo n PRO 63 Cb 0.54 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 4.44 0.54 3.52 -1.23 0.00 -1.26 -5.03 105.19 106.16 2rlo n GLY 64 Ca 0.40 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2rlo n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rlo n LYS 65 N 0.00 0.64 -3.65 1.61 4.01 -1.24 -4.80 118.16 114.73 2rlo n LYS 65 Ca 0.00 0.03 0.01 0.00 -0.51 0.00 0.00 58.31 57.84 2rlo n LYS 65 Cb 0.00 -2.58 -0.01 0.00 -0.51 0.00 0.00 35.03 31.93 2rlo n LYS 65 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2rlo s ARG 66 N 8.34 0.54 -0.19 1.97 0.52 -1.26 -5.13 118.95 123.73 2rlo s ARG 66 Ca 1.14 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 2rlo s ARG 66 Cb -0.67 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 2rlo s ARG 66 CO 0.38 -0.25 1.32 -1.25 0.02 0.00 0.00 175.30 175.52 2rlo s PRO 67 N -2.56 4.13 -1.52 3.54 0.04 -1.26 -4.93 135.00 132.44 2rlo s PRO 67 Ca 0.14 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 2rlo s PRO 67 Cb 0.04 -3.83 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 2rlo s PRO 67 CO -0.03 -0.85 2.92 -0.35 0.04 0.00 0.00 177.00 178.74 2rlo n PRO 68 N 6.88 3.53 -3.50 0.56 -0.04 -1.26 -4.76 135.00 136.41 2rlo n PRO 68 Ca 0.15 -2.10 -0.17 0.00 -0.04 0.00 0.00 63.50 61.33 2rlo n PRO 68 Cb 0.45 -2.75 -0.13 0.00 -0.04 0.00 0.00 33.50 31.04 2rlo n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rlo s ARG 69 N 2.23 0.20 -0.17 0.54 1.81 -1.26 -5.02 118.95 117.27 2rlo s ARG 69 Ca 0.67 0.28 -0.14 0.00 -1.72 0.00 0.00 55.73 54.83 2rlo s ARG 69 Cb 0.18 -1.04 -0.09 0.00 -0.45 0.00 0.00 34.95 33.55 2rlo s ARG 69 CO -0.06 -0.62 -0.06 0.00 -0.68 0.00 0.00 175.30 173.89 2rlo n ALA 70 N 5.32 0.60 0.12 2.13 0.00 -1.26 -4.99 120.51 122.43 2rlo n ALA 70 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2rlo n ALA 70 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2rlo n ALA 70 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2rlo n ILE 71 N -4.54 0.00 -2.55 0.00 5.41 -1.26 -5.17 119.36 111.25 2rlo n ILE 71 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2rlo n ILE 71 Cb 0.43 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 2rlo n ILE 71 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2rlo n SER 72 N -3.20 0.00 -1.27 4.38 7.64 -1.26 -5.03 113.62 114.88 2rlo n SER 72 Ca 0.00 -0.13 0.05 0.00 1.01 0.00 0.00 58.87 59.80 2rlo n SER 72 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rlo n ALA 73 N -3.00 3.16 -2.75 -0.43 0.00 -1.26 -4.85 120.51 111.39 2rlo n ALA 73 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 53.44 52.12 2rlo n ALA 73 Cb 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 2rlo n ALA 73 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2rlo s PHE 74 N -1.95 0.86 0.03 0.00 5.36 -1.26 -5.14 117.98 115.89 2rlo s PHE 74 Ca 0.34 -0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.11 2rlo s PHE 74 Cb 0.24 -0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 42.31 2rlo s PHE 74 CO 0.13 -0.03 0.23 0.20 -1.46 0.00 0.00 175.22 174.29 2rlo s GLY 75 N -0.13 2.20 -1.21 13.12 0.00 -1.26 -4.94 107.32 115.11 2rlo s GLY 75 Ca 0.02 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.80 2rlo s GLY 75 CO -0.00 -0.63 1.89 2.56 0.00 0.00 0.00 173.10 176.92 2rlo s PRO 76 N -2.17 2.83 -0.08 2.90 0.04 -1.26 -4.93 135.00 132.33 2rlo s PRO 76 Ca 0.31 -1.35 0.01 0.00 0.04 0.00 0.00 61.00 60.01 2rlo s PRO 76 Cb -0.13 -5.31 -0.03 0.00 0.04 0.00 0.00 34.50 29.08 2rlo s PRO 76 CO 0.22 -3.60 -0.09 -1.54 0.04 0.00 0.00 177.00 172.03 2rlo s SER 77 N 5.99 4.44 0.08 6.66 1.04 -1.26 -4.94 113.70 125.71 2rlo s SER 77 Ca 0.65 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 57.03 2rlo s SER 77 Cb 0.00 -1.20 -0.23 0.00 0.10 0.00 0.00 66.02 64.69 2rlo s SER 77 CO 0.12 0.32 1.14 0.00 0.98 0.00 0.00 173.24 175.80 2rlo h ALA 78 N 5.58 0.37 -0.22 5.32 0.00 -1.91 -3.40 119.26 124.99 2rlo h ALA 78 Ca -0.44 -1.00 -0.22 0.00 0.00 0.00 0.00 54.91 53.26 2rlo h ALA 78 Cb 1.17 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.71 2rlo h ALA 78 CO 0.53 1.25 -0.61 -1.13 0.00 0.00 0.00 179.25 179.29 2rlo n SER 79 N -3.34 -0.41 -2.36 0.00 3.41 -1.26 -5.00 113.62 104.65 2rlo n SER 79 Ca -0.05 -2.25 -0.08 0.00 -0.26 0.00 0.00 58.87 56.23 2rlo n SER 79 Cb 0.98 0.30 0.04 0.00 -0.26 0.00 0.00 64.21 65.27 2rlo n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rlo n GLY 80 N -0.99 -0.10 3.28 5.00 0.00 -1.26 -5.07 105.19 106.06 2rlo n GLY 80 Ca -0.06 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2rlo n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rlo s SER 81 N -3.39 1.23 0.14 1.61 0.01 -1.26 -5.12 113.70 106.91 2rlo s SER 81 Ca 0.15 -1.29 0.07 0.00 1.31 0.00 0.00 55.95 56.19 2rlo s SER 81 Cb -0.02 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2rlo s SER 81 CO 0.38 -0.65 -0.04 0.00 0.41 0.00 0.00 173.24 173.35 2rlo s ALA 82 N -3.70 3.13 0.00 1.44 0.00 -1.26 -4.57 121.76 116.81 2rlo s ALA 82 Ca 0.31 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2rlo s ALA 82 Cb 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2rlo s ALA 82 CO 0.09 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.84 2rlo n GLY 83 N 0.27 1.85 0.21 0.00 0.00 -1.26 -5.09 105.19 101.17 2rlo n GLY 83 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2rlo n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rlo n GLN 84 N 0.00 0.00 -1.75 1.61 6.02 -1.26 -4.99 117.38 117.02 2rlo n GLN 84 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2rlo n GLN 84 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlo s ALA 85 N -2.00 1.39 -0.73 -1.58 0.00 -1.26 -4.84 121.76 112.74 2rlo s ALA 85 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2rlo s ALA 85 Cb 0.00 -4.47 -0.18 0.00 0.00 0.00 0.00 23.12 18.47 2rlo s ALA 85 CO 0.00 -4.97 1.89 0.39 0.00 0.00 0.00 175.76 173.06 2rlo n GLU 86 N 8.94 1.30 0.22 0.00 1.02 -1.26 -4.60 120.64 126.26 2rlo n GLU 86 Ca 0.38 -1.82 0.09 0.00 -0.02 0.00 0.00 57.16 55.79 2rlo n GLU 86 Cb 0.49 -3.00 0.44 0.00 -0.02 0.00 0.00 31.44 29.35 2rlo n GLU 86 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2rlo h GLU 87 N 8.50 0.00 -1.16 3.49 4.81 -2.04 -3.03 114.58 125.14 2rlo h GLU 87 Ca 0.36 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.24 2rlo h GLU 87 Cb 0.72 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.91 2rlo h GLU 87 CO 1.85 0.24 0.46 0.39 -0.73 0.00 0.00 179.01 181.22 2rlo n GLU 88 N -3.40 1.87 -3.11 1.92 -0.58 -1.26 -4.85 120.64 111.23 2rlo n GLU 88 Ca 0.00 -1.91 -0.44 0.00 -0.42 0.00 0.00 57.16 54.39 2rlo n GLU 88 Cb 0.44 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 2rlo n GLU 88 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2rlo s ASN 89 N -0.38 6.22 -0.58 1.62 3.04 -1.15 -5.01 114.94 118.70 2rlo s ASN 89 Ca 0.37 -1.00 -0.23 0.00 0.04 0.00 0.00 52.86 52.04 2rlo s ASN 89 Cb 0.30 -2.31 0.05 0.00 -1.54 0.00 0.00 41.25 37.75 2rlo s ASN 89 CO 0.04 -1.00 0.92 -0.36 -3.04 0.00 0.00 177.10 173.66 2rlo s PHE 90 N 2.82 2.77 -0.03 0.43 0.40 -1.26 -5.00 117.98 118.11 2rlo s PHE 90 Ca 0.16 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 2rlo s PHE 90 Cb -0.20 -4.09 0.03 0.00 0.51 0.00 0.00 43.02 39.27 2rlo s PHE 90 CO 0.11 -1.42 0.06 -1.21 0.70 0.00 0.00 175.22 173.46 2rlo s GLU 91 N 3.89 -0.00 0.23 0.44 8.01 -1.26 -3.12 118.70 126.88 2rlo s GLU 91 Ca 0.27 0.24 0.10 0.00 0.01 0.00 0.00 54.97 55.58 2rlo s GLU 91 Cb -0.14 -0.23 -0.05 0.00 -4.31 0.00 0.00 34.13 29.40 2rlo s GLU 91 CO 0.16 -0.17 -0.17 -0.59 0.01 0.00 0.00 175.26 174.49 2rlo s PHE 92 N 1.12 1.97 0.12 1.61 -0.12 -0.55 -4.17 117.98 117.96 2rlo s PHE 92 Ca -0.09 -0.46 0.11 0.00 -0.05 0.00 0.00 56.93 56.44 2rlo s PHE 92 Cb -0.13 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.33 2rlo s PHE 92 CO -0.04 0.50 -0.27 -0.51 -0.05 0.00 0.00 175.22 174.86 2rlo s LEU 93 N -3.30 2.31 -0.26 -1.99 1.02 0.11 -1.13 118.68 115.44 2rlo s LEU 93 Ca 0.25 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.68 2rlo s LEU 93 Cb -0.03 -1.20 0.07 0.00 0.02 0.00 0.00 46.19 45.04 2rlo s LEU 93 CO 0.10 0.18 -0.06 -0.63 0.02 0.00 0.00 176.35 175.95 2rlo s ILE 94 N -1.05 1.93 -0.18 -0.59 -1.09 0.89 -1.96 121.20 119.15 2rlo s ILE 94 Ca 0.13 -1.58 -0.09 0.00 -2.23 0.00 0.00 60.65 56.88 2rlo s ILE 94 Cb -0.10 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2rlo s ILE 94 CO 0.06 -0.14 0.13 -0.69 -1.23 0.00 0.00 174.94 173.06 2rlo s VAL 95 N 1.19 5.38 0.28 2.92 1.01 -0.24 0.46 120.40 131.40 2rlo s VAL 95 Ca -0.05 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2rlo s VAL 95 Cb -0.19 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2rlo s VAL 95 CO -0.06 0.49 0.38 -0.24 0.00 0.00 0.00 175.10 175.67 2rlo n SER 96 N 3.15 0.71 -0.40 3.32 2.88 0.11 -0.28 113.62 123.12 2rlo n SER 96 Ca -0.17 -1.55 0.14 0.00 -1.33 0.00 0.00 58.87 55.96 2rlo n SER 96 Cb 0.53 -0.23 0.59 0.00 -0.75 0.00 0.00 64.21 64.35 2rlo n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rlo n SER 97 N -2.85 1.25 -0.69 -3.46 3.41 -1.25 -3.65 113.62 106.38 2rlo n SER 97 Ca 0.07 -1.41 0.06 0.00 -0.26 0.00 0.00 58.87 57.33 2rlo n SER 97 Cb 0.25 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.41 2rlo n SER 97 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2rlo n THR 98 N -0.03 2.23 0.00 6.66 5.66 -1.26 -4.94 114.28 122.59 2rlo n THR 98 Ca 0.20 -2.29 0.00 0.00 -3.05 0.00 0.00 64.05 58.91 2rlo n THR 98 Cb 0.32 -0.26 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 -0.96 3.01 3.66 1.09 0.00 -1.24 -4.99 105.19 105.76 2rlo n GLY 99 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.67 1.95 -3.79 1.61 7.27 -1.26 -4.71 117.38 116.78 2rlo n GLN 100 Ca 0.00 0.70 -0.26 0.00 0.07 0.00 0.00 57.00 57.51 2rlo n GLN 100 Cb 0.00 -2.37 -0.17 0.00 2.41 0.00 0.00 30.24 30.12 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rlo s THR 101 N 0.17 0.62 -0.51 1.69 2.01 -1.26 0.09 115.64 118.46 2rlo s THR 101 Ca 0.72 -0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.18 2rlo s THR 101 Cb -0.69 -0.93 0.06 0.00 0.01 0.00 0.00 72.50 70.96 2rlo s THR 101 CO 0.47 0.04 0.64 0.26 -0.69 0.00 0.00 174.62 175.34 2rlo s TRP 102 N 1.84 3.04 -0.33 4.92 0.52 0.17 -4.85 118.94 124.25 2rlo s TRP 102 Ca 0.02 -0.51 -0.16 0.00 0.02 0.00 0.00 56.10 55.47 2rlo s TRP 102 Cb -0.15 -3.56 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 2rlo s TRP 102 CO -0.07 -1.05 0.39 -1.58 0.02 0.00 0.00 176.95 174.67 2rlo s HIS 103 N 2.70 3.21 0.30 -1.98 2.46 -1.26 -0.08 115.29 120.63 2rlo s HIS 103 Ca 0.16 0.08 0.10 0.00 0.47 0.00 0.00 55.06 55.87 2rlo s HIS 103 Cb -0.19 -2.71 -0.06 0.00 -0.13 0.00 0.00 32.58 29.50 2rlo s HIS 103 CO 0.12 -0.42 -0.12 -0.06 -2.47 0.00 0.00 174.74 171.79 2rlo s PHE 104 N 2.10 2.23 -0.29 3.88 0.08 -0.28 -4.12 117.98 121.58 2rlo s PHE 104 Ca 0.14 -0.50 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 2rlo s PHE 104 Cb -0.16 -1.17 0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2rlo s PHE 104 CO 0.12 0.55 0.07 -2.00 -0.10 0.00 0.00 175.22 173.86 2rlo s GLU 105 N -3.61 0.88 0.18 0.44 2.12 -0.25 -1.49 118.70 116.97 2rlo s GLU 105 Ca 0.30 -1.09 -0.33 0.00 0.36 0.00 0.00 54.97 54.21 2rlo s GLU 105 Cb 0.00 -2.20 -0.14 0.00 0.26 0.00 0.00 34.13 32.05 2rlo s GLU 105 CO 0.14 -0.91 1.44 0.00 -0.54 0.00 0.00 175.26 175.40 2rlo n ALA 106 N 4.78 0.70 0.10 6.30 0.00 -1.18 -2.11 120.51 129.10 2rlo n ALA 106 Ca -0.03 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 2rlo n ALA 106 Cb 0.43 -2.25 0.26 0.00 0.00 0.00 0.00 19.45 17.89 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 4.89 1.20 -3.62 0.00 0.00 -1.91 -3.43 119.26 116.40 2rlo h ALA 107 Ca -0.45 -0.36 -0.67 0.00 0.00 0.00 0.00 54.91 53.43 2rlo h ALA 107 Cb 1.28 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 2rlo h ALA 107 CO 0.81 0.53 -0.73 -1.12 0.00 0.00 0.00 179.25 178.75 2rlo s SER 108 N -6.87 4.47 0.26 0.00 0.01 -1.26 -5.03 113.70 105.28 2rlo s SER 108 Ca -0.05 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 2rlo s SER 108 Cb 0.14 -0.94 0.33 0.00 0.21 0.00 0.00 66.02 65.76 2rlo s SER 108 CO 0.76 0.23 1.73 -0.26 0.41 0.00 0.00 173.24 176.12 2rlo h PHE 109 N 4.10 0.78 -0.13 2.43 0.04 -1.98 -2.39 116.94 119.79 2rlo h PHE 109 Ca -0.48 -0.13 -0.21 0.00 2.80 0.00 0.00 57.97 59.95 2rlo h PHE 109 Cb 1.17 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 39.12 2rlo h PHE 109 CO 0.58 0.78 -0.72 1.49 -0.60 0.00 0.00 178.31 179.84 2rlo h GLU 110 N 0.65 0.72 -0.86 1.51 4.81 -1.97 -3.21 114.58 116.23 2rlo h GLU 110 Ca 0.12 -0.60 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2rlo h GLU 110 Cb 0.54 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 2rlo h GLU 110 CO 0.03 1.21 0.57 1.49 -0.73 0.00 0.00 179.01 181.58 2rlo h GLU 111 N 0.42 1.07 -0.36 1.92 4.57 -1.94 -2.03 114.58 118.22 2rlo h GLU 111 Ca -0.05 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2rlo h GLU 111 Cb 1.36 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2rlo h GLU 111 CO 0.15 0.70 0.11 -0.09 -1.18 0.00 0.00 179.01 178.70 2rlo h ARG 112 N 1.10 0.24 -0.19 1.92 1.12 -1.44 0.24 114.38 117.38 2rlo h ARG 112 Ca 0.33 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.11 2rlo h ARG 112 Cb -0.02 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 2rlo h ARG 112 CO -0.09 0.16 -0.24 -0.44 -3.11 0.00 0.00 179.97 176.25 2rlo h ASP 113 N 0.25 0.34 -0.17 -3.80 5.19 -1.51 -0.83 116.42 115.89 2rlo h ASP 113 Ca 0.17 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 2rlo h ASP 113 Cb 0.16 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 2rlo h ASP 113 CO -0.18 0.58 -0.05 0.00 -3.12 0.00 0.00 179.24 176.47 2rlo h ALA 114 N 1.45 0.23 -0.03 3.45 0.00 -0.58 -1.72 119.26 122.06 2rlo h ALA 114 Ca 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2rlo h ALA 114 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2rlo h ALA 114 CO 0.04 0.00 0.02 -1.49 0.00 0.00 0.00 179.25 177.82 2rlo h TRP 115 N 0.02 0.03 -0.60 0.00 4.06 -0.36 0.94 115.95 120.05 2rlo h TRP 115 Ca 0.04 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.06 2rlo h TRP 115 Cb 0.50 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 2rlo h TRP 115 CO 0.06 0.06 0.40 -0.24 -3.56 0.00 0.00 178.44 175.15 2rlo h VAL 116 N -0.00 0.98 0.04 1.49 3.04 -1.15 0.17 116.25 120.82 2rlo h VAL 116 Ca 0.01 -0.19 -0.23 0.00 -1.01 0.00 0.00 66.70 65.27 2rlo h VAL 116 Cb 0.04 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 2rlo h VAL 116 CO -0.00 0.10 -1.11 -0.61 -1.01 0.00 0.00 177.57 174.94 2rlo h GLN 117 N 0.56 0.08 -0.12 4.17 4.15 -0.72 -2.40 115.11 120.84 2rlo h GLN 117 Ca 0.26 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2rlo h GLN 117 Cb 0.31 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2rlo h GLN 117 CO -0.08 1.04 0.00 0.00 -1.93 0.00 0.00 178.83 177.87 2rlo h ALA 118 N 0.88 0.16 -0.08 3.38 0.00 0.26 0.82 119.26 124.68 2rlo h ALA 118 Ca -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2rlo h ALA 118 Cb 1.84 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2rlo h ALA 118 CO 0.15 -0.15 0.01 0.82 0.00 0.00 0.00 179.25 180.08 2rlo h ILE 119 N -0.06 1.22 -0.20 0.00 5.03 -0.85 -0.27 117.51 122.38 2rlo h ILE 119 Ca 0.03 -0.68 -0.06 0.00 -0.12 0.00 0.00 64.86 64.04 2rlo h ILE 119 Cb 0.35 1.52 -0.01 0.00 -3.03 0.00 0.00 36.82 35.65 2rlo h ILE 119 CO 0.01 0.19 -0.13 -0.33 -0.68 0.00 0.00 178.15 177.21 2rlo h GLU 120 N -0.11 0.32 -0.31 2.37 4.39 -1.41 -1.35 114.58 118.48 2rlo h GLU 120 Ca 0.02 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2rlo h GLU 120 Cb 0.29 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2rlo h GLU 120 CO 0.00 0.45 -0.02 0.77 -1.16 0.00 0.00 179.01 179.06 2rlo h SER 121 N 0.30 0.54 -0.28 1.42 0.02 0.95 0.62 113.55 117.13 2rlo h SER 121 Ca 0.06 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 2rlo h SER 121 Cb 0.41 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2rlo h SER 121 CO 0.02 0.73 -0.04 1.56 -1.14 0.00 0.00 176.83 177.96 2rlo h GLN 122 N 0.34 0.64 -0.11 3.45 1.08 -0.71 -1.66 115.11 118.14 2rlo h GLN 122 Ca 0.08 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 56.95 2rlo h GLN 122 Cb 0.46 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2rlo h GLN 122 CO 0.02 0.69 -0.65 0.82 -0.95 0.00 0.00 178.83 178.76 2rlo h ILE 123 N 0.60 1.36 -0.29 2.54 2.04 -1.05 -1.50 117.51 121.21 2rlo h ILE 123 Ca 0.12 -2.00 -0.12 0.00 1.00 0.00 0.00 64.86 63.85 2rlo h ILE 123 Cb 0.44 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2rlo h ILE 123 CO 0.02 0.61 -0.32 0.25 0.00 0.00 0.00 178.15 178.70 2rlo h LEU 124 N 0.30 0.65 -0.35 1.44 6.46 -0.51 0.17 115.31 123.47 2rlo h LEU 124 Ca -0.01 -0.26 -0.17 0.00 -0.12 0.00 0.00 57.88 57.31 2rlo h LEU 124 Cb 1.20 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 2rlo h LEU 124 CO 0.11 0.93 -0.82 0.00 -0.62 0.00 0.00 178.44 178.04 2rlo h ALA 125 N 1.11 0.64 0.09 1.25 0.00 -1.24 -3.08 119.26 118.04 2rlo h ALA 125 Ca 0.06 -0.75 -0.27 0.00 0.00 0.00 0.00 54.91 53.96 2rlo h ALA 125 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2rlo h ALA 125 CO 0.07 1.03 -1.26 0.77 0.00 0.00 0.00 179.25 179.86 2rlo h SER 126 N 0.00 0.31 0.47 0.00 0.02 -1.07 -3.37 113.55 109.91 2rlo h SER 126 Ca -0.01 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 2rlo h SER 126 Cb 1.46 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2rlo h SER 126 CO 0.11 1.28 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.78 2rlo h LEU 127 N 0.05 -0.53 -1.27 5.07 -0.00 -0.70 -3.49 115.31 114.44 2rlo h LEU 127 Ca -0.13 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2rlo h LEU 127 Cb 1.94 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.73 2rlo h LEU 127 CO 0.18 -0.34 0.00 0.00 -0.00 0.00 0.00 178.44 178.28