#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 3.31 -0.02 7.54 0.00 -1.26 -4.99 121.76 126.33 2rlo s ALA 2 Ca 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.07 2rlo s ALA 2 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2rlo s ALA 2 CO 0.00 -0.11 -0.12 0.42 0.00 0.00 0.00 175.76 175.95 2rlo s ILE 3 N -2.77 0.97 0.08 0.00 -1.09 -1.26 -4.88 121.20 112.25 2rlo s ILE 3 Ca 0.29 -0.49 -0.34 0.00 -2.23 0.00 0.00 60.65 57.89 2rlo s ILE 3 Cb 0.08 -0.84 -0.13 0.00 -1.58 0.00 0.00 42.46 39.99 2rlo s ILE 3 CO 0.15 0.29 1.69 -2.65 -1.23 0.00 0.00 174.94 173.18 2rlo n PRO 4 N 3.06 2.19 0.05 2.79 -0.02 -1.26 -0.98 135.00 140.83 2rlo n PRO 4 Ca -0.17 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 2rlo n PRO 4 Cb 0.55 -2.59 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 2rlo n PRO 4 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2rlo n ILE 5 N 4.03 0.35 0.00 4.25 2.08 0.74 -4.86 119.36 125.95 2rlo n ILE 5 Ca 0.19 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.97 2rlo n ILE 5 Cb 0.29 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 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 -2.49 0.00 -3.86 0.38 3.00 -0.75 -4.88 118.16 109.56 2rlo n LYS 6 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.00 2rlo n LYS 6 Cb 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.43 2rlo n LYS 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2rlo s GLN 7 N 0.00 1.25 0.15 1.64 -0.44 -1.26 0.90 119.66 121.90 2rlo s GLN 7 Ca 0.00 -0.69 -0.10 0.00 -2.50 0.00 0.00 55.36 52.07 2rlo s GLN 7 Cb 0.00 -2.30 0.04 0.00 -1.64 0.00 0.00 33.01 29.11 2rlo s GLN 7 CO 0.00 -0.58 0.48 0.45 0.50 0.00 0.00 175.29 176.14 2rlo n SER 8 N 4.84 -1.06 -4.71 6.67 2.88 -0.16 -4.99 113.62 117.10 2rlo n SER 8 Ca -0.11 -1.65 -0.40 0.00 -1.33 0.00 0.00 58.87 55.38 2rlo n SER 8 Cb 0.46 1.74 -0.05 0.00 -0.75 0.00 0.00 64.21 65.61 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2rlo s PHE 9 N -4.68 3.56 0.24 0.66 0.08 -1.26 -0.77 117.98 115.80 2rlo s PHE 9 Ca 0.10 1.20 0.11 0.00 0.12 0.00 0.00 56.93 58.46 2rlo s PHE 9 Cb -0.02 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.60 2rlo s PHE 9 CO 0.05 0.07 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.52 2rlo s LEU 10 N 0.88 2.53 -0.07 -0.37 1.02 -0.50 -4.07 118.68 118.10 2rlo s LEU 10 Ca 0.36 -0.97 -0.13 0.00 0.02 0.00 0.00 54.13 53.41 2rlo s LEU 10 Cb -0.17 -1.07 -0.05 0.00 0.02 0.00 0.00 46.19 44.91 2rlo s LEU 10 CO 0.17 0.05 0.32 -0.22 0.02 0.00 0.00 176.35 176.69 2rlo s LEU 11 N -3.18 4.39 -0.15 1.79 2.96 -0.90 0.16 118.68 123.74 2rlo s LEU 11 Ca 0.26 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2rlo s LEU 11 Cb -0.06 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2rlo s LEU 11 CO 0.12 0.27 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.59 2rlo s LYS 12 N -0.59 1.69 0.59 1.98 2.36 -0.71 -0.46 119.74 124.60 2rlo s LYS 12 Ca 0.20 -0.50 -0.20 0.00 -2.55 0.00 0.00 55.97 52.92 2rlo s LYS 12 Cb -0.15 -1.97 -0.03 0.00 -1.05 0.00 0.00 37.83 34.63 2rlo s LYS 12 CO 0.09 -0.35 1.30 2.89 1.55 0.00 0.00 175.35 180.83 2rlo n ARG 13 N 4.85 1.39 -0.02 4.03 1.85 -1.26 -1.22 116.66 126.28 2rlo n ARG 13 Ca -0.13 0.52 -0.00 0.00 -1.00 0.00 0.00 57.85 57.24 2rlo n ARG 13 Cb 0.49 -2.53 -0.00 0.00 -1.05 0.00 0.00 32.46 29.37 2rlo n ARG 13 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2rlo h SER 14 N 0.98 -0.01 0.00 2.89 0.87 0.42 -3.47 113.55 115.23 2rlo h SER 14 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2rlo h SER 14 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2rlo h SER 14 CO 0.55 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.65 2rlo n GLY 15 N 1.86 -1.58 2.65 5.77 0.00 -1.26 -5.07 105.19 107.54 2rlo n GLY 15 Ca -0.00 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 2rlo n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rlo s ASN 16 N 0.00 3.25 0.14 1.61 0.01 -1.26 -5.01 114.94 113.68 2rlo s ASN 16 Ca 0.00 -1.11 -0.14 0.00 -0.71 0.00 0.00 52.86 50.89 2rlo s ASN 16 Cb 0.00 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 41.16 2rlo s ASN 16 CO 0.00 -0.38 1.63 0.77 -1.51 0.00 0.00 177.10 177.61 2rlo h SER 17 N 8.30 0.68 -0.70 -1.22 4.64 -2.01 -2.46 113.55 120.79 2rlo h SER 17 Ca -0.17 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 60.94 2rlo h SER 17 Cb 1.07 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 2rlo h SER 17 CO 0.39 0.75 0.46 0.25 -0.87 0.00 0.00 176.83 177.81 2rlo h LEU 18 N 0.58 0.73 -6.29 5.97 5.85 -2.09 -3.40 115.31 116.68 2rlo h LEU 18 Ca 0.14 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2rlo h LEU 18 Cb 0.34 -0.17 -0.27 0.00 0.37 0.00 0.00 40.66 40.93 2rlo h LEU 18 CO 0.00 0.51 -0.43 0.21 -0.34 0.00 0.00 178.44 178.39 2rlo s ASN 19 N -6.33 -0.25 1.07 1.25 2.47 -1.06 -5.16 114.94 106.93 2rlo s ASN 19 Ca -0.10 0.25 -0.14 0.00 0.42 0.00 0.00 52.86 53.29 2rlo s ASN 19 Cb 0.18 1.43 0.15 0.00 -1.45 0.00 0.00 41.25 41.57 2rlo s ASN 19 CO 0.77 -0.30 0.60 0.29 -3.72 0.00 0.00 177.10 174.74 2rlo n LYS 20 N 5.38 -1.38 -3.13 0.43 4.76 -0.95 -4.41 118.16 118.86 2rlo n LYS 20 Ca -0.01 -0.37 0.04 0.00 -2.87 0.00 0.00 58.31 55.09 2rlo n LYS 20 Cb 0.50 -1.99 -0.00 0.00 -1.84 0.00 0.00 35.03 31.70 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 -3.98 0.47 -0.05 1.97 2.56 -1.26 -4.96 118.70 113.44 2rlo s GLU 21 Ca 0.62 0.29 -0.08 0.00 0.00 0.00 0.00 54.97 55.80 2rlo s GLU 21 Cb -0.20 0.17 -0.05 0.00 2.00 0.00 0.00 34.13 36.05 2rlo s GLU 21 CO 0.65 -0.82 0.23 -1.58 -0.56 0.00 0.00 175.26 173.18 2rlo s TRP 22 N 2.66 3.61 0.28 5.30 0.52 -1.26 0.11 118.94 130.17 2rlo s TRP 22 Ca 0.16 0.62 0.10 0.00 0.02 0.00 0.00 56.10 57.00 2rlo s TRP 22 Cb -0.06 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.20 2rlo s TRP 22 CO -0.22 0.68 -0.07 0.15 0.02 0.00 0.00 176.95 177.51 2rlo s LYS 23 N -1.33 2.08 0.00 4.98 3.01 -0.36 -4.76 119.74 123.37 2rlo s LYS 23 Ca 0.21 -1.55 -0.30 0.00 -1.01 0.00 0.00 55.97 53.32 2rlo s LYS 23 Cb -0.13 -2.02 -0.08 0.00 -1.01 0.00 0.00 37.83 34.59 2rlo s LYS 23 CO 0.10 0.34 1.83 0.15 0.51 0.00 0.00 175.35 178.29 2rlo s LYS 24 N -3.62 4.16 0.48 1.68 -0.14 -1.26 -1.73 119.74 119.30 2rlo s LYS 24 Ca 0.31 2.44 0.03 0.00 -1.36 0.00 0.00 55.97 57.39 2rlo s LYS 24 Cb -0.06 -4.08 -0.03 0.00 -1.68 0.00 0.00 37.83 31.98 2rlo s LYS 24 CO 0.18 -0.91 0.01 0.21 -0.76 0.00 0.00 175.35 174.08 2rlo s LYS 25 N 4.25 2.12 -0.12 1.68 2.47 0.41 -4.45 119.74 126.09 2rlo s LYS 25 Ca 0.82 -2.31 -0.02 0.00 -1.56 0.00 0.00 55.97 52.89 2rlo s LYS 25 Cb -0.39 -1.55 0.04 0.00 -1.46 0.00 0.00 37.83 34.47 2rlo s LYS 25 CO 0.36 -0.27 0.03 -0.47 0.16 0.00 0.00 175.35 175.16 2rlo s TYR 26 N -2.83 0.70 0.07 4.03 6.14 -0.79 -1.41 117.35 123.27 2rlo s TYR 26 Ca 0.15 -0.40 0.08 0.00 0.64 0.00 0.00 57.07 57.54 2rlo s TYR 26 Cb 0.04 -0.85 -0.03 0.00 0.42 0.00 0.00 41.96 41.54 2rlo s TYR 26 CO 0.08 -0.44 -0.22 0.08 0.64 0.00 0.00 175.55 175.68 2rlo s VAL 27 N 1.96 1.79 -0.17 3.14 1.01 0.05 0.23 120.40 128.41 2rlo s VAL 27 Ca 0.03 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 2rlo s VAL 27 Cb -0.14 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.71 2rlo s VAL 27 CO -0.07 0.11 0.08 -0.89 0.00 0.00 0.00 175.10 174.33 2rlo s THR 28 N -0.96 0.05 -0.34 3.92 2.01 0.83 -0.99 115.64 120.17 2rlo s THR 28 Ca 0.08 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.65 2rlo s THR 28 Cb -0.09 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2rlo s THR 28 CO 0.03 -0.24 0.69 -0.22 -0.69 0.00 0.00 174.62 174.19 2rlo s LEU 29 N 2.08 4.18 0.21 4.42 1.98 0.26 -2.29 118.68 129.52 2rlo s LEU 29 Ca 0.02 0.34 0.06 0.00 -2.89 0.00 0.00 54.13 51.65 2rlo s LEU 29 Cb -0.16 -2.88 -0.04 0.00 0.66 0.00 0.00 46.19 43.77 2rlo s LEU 29 CO -0.08 -0.60 0.19 -0.55 -1.89 0.00 0.00 176.35 173.42 2rlo s SER 30 N 1.74 5.63 0.00 3.68 0.15 -1.10 0.26 113.70 124.07 2rlo s SER 30 Ca 0.27 -0.16 0.20 0.00 0.70 0.00 0.00 55.95 56.96 2rlo s SER 30 Cb -0.14 -1.48 1.17 0.00 -1.71 0.00 0.00 66.02 63.85 2rlo s SER 30 CO 0.14 0.00 1.58 -0.24 1.20 0.00 0.00 173.24 175.92 2rlo n SER 31 N -0.88 0.00 -1.38 5.45 2.88 -0.15 -3.27 113.62 116.27 2rlo n SER 31 Ca -0.08 -0.76 -0.05 0.00 -1.33 0.00 0.00 58.87 56.64 2rlo n SER 31 Cb 0.56 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.95 3.25 -3.83 -3.46 5.15 -1.26 -4.82 115.26 109.34 2rlo n ASN 32 Ca 0.15 -2.60 -0.30 0.00 -0.60 0.00 0.00 54.58 51.23 2rlo n ASN 32 Cb 0.07 -0.63 0.02 0.00 -0.53 0.00 0.00 39.78 38.71 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 -0.04 -0.50 2.77 8.20 0.00 -1.20 -4.96 105.19 109.47 2rlo n GLY 33 Ca 0.21 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.25 0.44 -0.30 1.61 5.36 -1.25 -1.83 117.98 118.75 2rlo s PHE 34 Ca 0.63 -0.03 -0.11 0.00 -0.96 0.00 0.00 56.93 56.47 2rlo s PHE 34 Cb -0.32 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.73 2rlo s PHE 34 CO 0.78 -0.23 0.17 -1.17 -1.46 0.00 0.00 175.22 173.31 2rlo s LEU 35 N 1.67 4.12 0.02 6.12 2.96 -0.94 -2.70 118.68 129.92 2rlo s LEU 35 Ca -0.00 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2rlo s LEU 35 Cb -0.13 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2rlo s LEU 35 CO -0.03 -0.16 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.98 2rlo s LEU 36 N 1.67 3.01 -0.19 -0.68 1.02 -0.97 -0.07 118.68 122.47 2rlo s LEU 36 Ca 0.06 -0.24 -0.12 0.00 0.02 0.00 0.00 54.13 53.85 2rlo s LEU 36 Cb -0.17 -1.74 0.06 0.00 0.02 0.00 0.00 46.19 44.36 2rlo s LEU 36 CO 0.08 0.27 0.48 -0.72 0.02 0.00 0.00 176.35 176.47 2rlo s TYR 37 N -0.99 -0.68 0.27 0.29 1.13 0.90 -0.12 117.35 118.15 2rlo s TYR 37 Ca 0.17 1.45 0.11 0.00 -1.41 0.00 0.00 57.07 57.39 2rlo s TYR 37 Cb -0.11 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 41.02 2rlo s TYR 37 CO 0.07 -0.36 -0.19 -1.01 -2.51 0.00 0.00 175.55 171.55 2rlo s HIS 38 N 1.24 2.21 0.54 -3.49 0.09 0.13 -1.72 115.29 114.29 2rlo s HIS 38 Ca -0.08 -0.36 0.34 0.00 -0.00 0.00 0.00 55.06 54.96 2rlo s HIS 38 Cb -0.07 -0.96 1.52 0.00 -0.00 0.00 0.00 32.58 33.06 2rlo s HIS 38 CO -0.12 0.67 1.84 -1.35 -0.00 0.00 0.00 174.74 175.79 2rlo h PRO 39 N 2.31 0.01 0.00 8.40 0.11 -1.86 -2.09 132.00 138.88 2rlo h PRO 39 Ca -0.40 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.87 2rlo h PRO 39 Cb 1.25 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2rlo h PRO 39 CO 0.60 0.00 0.42 0.45 -0.21 0.00 0.00 178.00 179.27 2rlo n SER 40 N -4.23 -0.57 -0.07 -2.05 2.88 -1.26 -4.26 113.62 104.06 2rlo n SER 40 Ca 0.22 -1.13 -0.09 0.00 -1.33 0.00 0.00 58.87 56.55 2rlo n SER 40 Cb 1.11 0.89 -0.02 0.00 -0.75 0.00 0.00 64.21 65.44 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 1.47 1.01 -0.68 2.46 5.03 -1.87 -1.02 117.51 123.91 2rlo h ILE 41 Ca -0.10 -0.10 0.20 0.00 -0.12 0.00 0.00 64.86 64.73 2rlo h ILE 41 Cb 0.55 0.69 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 2rlo h ILE 41 CO 0.15 0.05 0.56 0.78 -0.68 0.00 0.00 178.15 179.01 2rlo h ASN 42 N 0.30 0.00 0.06 1.72 2.35 -1.98 0.34 115.58 118.37 2rlo h ASN 42 Ca 0.10 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.58 2rlo h ASN 42 Cb 0.01 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.41 2rlo h ASN 42 CO -0.06 0.00 -1.12 0.44 -1.65 0.00 0.00 177.43 175.04 2rlo h ASP 43 N 0.00 0.88 0.06 5.81 5.19 -1.52 -1.77 116.42 125.07 2rlo h ASP 43 Ca 0.32 -0.79 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2rlo h ASP 43 Cb 1.44 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2rlo h ASP 43 CO -0.00 1.56 -0.03 0.22 -3.12 0.00 0.00 179.24 177.87 2rlo h TYR 44 N 0.30 -0.08 0.68 4.55 3.20 -0.01 0.99 116.97 126.60 2rlo h TYR 44 Ca -0.16 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2rlo h TYR 44 Cb 1.79 0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.09 2rlo h TYR 44 CO 0.11 0.39 -0.38 0.82 -1.64 0.00 0.00 178.16 177.46 2rlo h ILE 45 N -0.59 0.00 0.00 1.81 2.04 -0.64 -3.13 117.51 117.00 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 0.51 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2rlo h ILE 45 CO 0.01 0.00 -0.31 0.45 0.00 0.00 0.00 178.15 178.31 2rlo h HIS 46 N -0.98 0.00 -3.37 1.37 3.86 -1.44 -3.49 115.15 111.10 2rlo h HIS 46 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 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 -0.01 0.31 -0.03 0.43 0.86 0.00 0.00 177.93 179.48 2rlo n SER 47 N -3.39 -2.93 -4.10 2.45 7.64 0.31 -5.02 113.62 108.58 2rlo n SER 47 Ca 0.00 0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.59 2rlo n SER 47 Cb 0.51 -1.69 -0.16 0.00 -1.01 0.00 0.00 64.21 61.86 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 -2.29 2.00 0.00 0.44 -4.23 0.64 -4.83 115.64 107.37 2rlo s THR 48 Ca 0.02 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2rlo s THR 48 Cb -0.00 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.98 2rlo s THR 48 CO 0.12 0.46 0.00 1.57 -0.54 0.00 0.00 174.62 176.23 2rlo n HIS 49 N 4.62 0.00 -3.08 3.99 -0.00 -1.26 -4.68 115.22 114.81 2rlo n HIS 49 Ca -0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.50 2rlo n HIS 49 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 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 -1.11 3.73 1.57 0.00 -1.26 -4.91 105.19 103.20 2rlo n GLY 50 Ca 0.00 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.28 4.42 -0.04 1.61 -0.14 -0.70 -4.94 119.74 118.67 2rlo s LYS 51 Ca 0.03 0.84 0.03 0.00 -1.36 0.00 0.00 55.97 55.51 2rlo s LYS 51 Cb -0.00 -3.42 0.01 0.00 -1.68 0.00 0.00 37.83 32.73 2rlo s LYS 51 CO 0.27 0.13 -0.11 -1.21 -0.76 0.00 0.00 175.35 173.67 2rlo s GLU 52 N 0.57 1.33 -0.20 1.68 2.02 -1.26 -0.07 118.70 122.77 2rlo s GLU 52 Ca 0.36 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.96 2rlo s GLU 52 Cb -0.18 -1.17 0.01 0.00 0.10 0.00 0.00 34.13 32.88 2rlo s GLU 52 CO 0.18 0.09 -0.12 1.41 0.02 0.00 0.00 175.26 176.84 2rlo s MET 53 N 0.39 3.17 0.12 1.61 -2.45 0.90 -4.97 119.30 118.07 2rlo s MET 53 Ca -0.08 -0.74 -0.31 0.00 -1.25 0.00 0.00 55.69 53.31 2rlo s MET 53 Cb -0.12 -2.80 -0.10 0.00 1.25 0.00 0.00 34.83 33.05 2rlo s MET 53 CO 0.02 -0.21 1.86 0.34 1.05 0.00 0.00 175.02 178.07 2rlo s ASP 54 N 1.38 6.41 -0.43 1.11 -1.08 -1.26 -2.22 116.67 120.57 2rlo s ASP 54 Ca 0.05 2.78 -0.02 0.00 -0.52 0.00 0.00 52.55 54.84 2rlo s ASP 54 Cb -0.14 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 39.01 2rlo s ASP 54 CO -0.08 -1.02 2.14 0.18 0.52 0.00 0.00 175.17 176.91 2rlo n LEU 55 N 5.85 6.78 -0.05 -1.34 4.77 -0.76 -4.41 117.00 127.85 2rlo n LEU 55 Ca 0.18 -3.68 -0.01 0.00 -0.03 0.00 0.00 56.01 52.46 2rlo n LEU 55 Cb 0.38 -1.07 -0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2rlo n LEU 55 CO 0.66 1.37 -0.09 0.25 -1.33 0.00 0.00 177.39 178.25 2rlo h LEU 56 N 2.64 0.00 -3.75 2.23 5.85 -1.89 -3.27 115.31 117.12 2rlo h LEU 56 Ca 0.38 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.79 2rlo h LEU 56 Cb 0.83 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.56 2rlo h LEU 56 CO 0.98 0.49 -0.80 0.54 -0.34 0.00 0.00 178.44 179.31 2rlo n ARG 57 N -4.30 2.42 -1.60 1.25 1.74 -1.26 -4.42 116.66 110.49 2rlo n ARG 57 Ca -0.02 -3.62 -0.31 0.00 -0.77 0.00 0.00 57.85 53.13 2rlo n ARG 57 Cb 0.07 -1.78 0.06 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.67 3.80 0.09 0.55 -4.23 -1.26 -4.60 115.64 106.32 2rlo s THR 58 Ca 0.42 0.58 0.05 0.00 -1.18 0.00 0.00 61.69 61.57 2rlo s THR 58 Cb 0.38 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 2rlo s THR 58 CO -0.02 -0.76 -0.14 0.42 -0.54 0.00 0.00 174.62 173.57 2rlo s THR 59 N -3.10 1.20 -0.12 3.99 -4.23 0.26 -4.94 115.64 108.70 2rlo s THR 59 Ca 0.59 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2rlo s THR 59 Cb -0.14 -1.25 0.01 0.00 1.34 0.00 0.00 72.50 72.46 2rlo s THR 59 CO 0.55 -0.29 -0.22 0.68 -0.54 0.00 0.00 174.62 174.79 2rlo s VAL 60 N -1.58 2.10 0.15 2.29 -7.23 -1.26 -0.27 120.40 114.59 2rlo s VAL 60 Ca 0.02 -0.98 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 2rlo s VAL 60 Cb -0.08 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 2rlo s VAL 60 CO 0.02 0.55 0.25 -1.59 -0.31 0.00 0.00 175.10 174.03 2rlo s LYS 61 N 0.62 1.09 0.20 4.82 -2.85 -0.91 -4.95 119.74 117.75 2rlo s LYS 61 Ca -0.12 -1.15 0.10 0.00 -1.00 0.00 0.00 55.97 53.80 2rlo s LYS 61 Cb -0.16 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2rlo s LYS 61 CO 0.03 -0.39 -0.12 0.14 0.10 0.00 0.00 175.35 175.11 2rlo s VAL 62 N -3.95 3.00 0.00 1.79 -7.23 -1.26 0.11 120.40 112.86 2rlo s VAL 62 Ca 0.15 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2rlo s VAL 62 Cb 0.04 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2rlo s VAL 62 CO -0.02 -0.15 0.00 -0.81 -0.31 0.00 0.00 175.10 173.81 2rlo n PRO 63 N -0.03 0.36 -2.33 4.82 -0.04 -1.26 -4.82 135.00 131.69 2rlo n PRO 63 Ca -0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 2rlo n PRO 63 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 5.57 3.60 0.55 0.00 -1.26 -4.95 105.19 108.70 2rlo n GLY 64 Ca 0.00 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 2rlo n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rlo s LYS 65 N -2.47 1.92 0.92 1.61 0.00 -1.26 -5.14 119.74 115.33 2rlo s LYS 65 Ca 0.46 -2.11 -0.11 0.00 0.00 0.00 0.00 55.97 54.22 2rlo s LYS 65 Cb 0.17 -1.42 0.15 0.00 0.00 0.00 0.00 37.83 36.73 2rlo s LYS 65 CO -0.09 -0.13 1.11 1.03 0.00 0.00 0.00 175.35 177.27 2rlo s ARG 66 N -3.77 0.98 -0.14 1.78 0.52 -1.26 -4.93 118.95 112.14 2rlo s ARG 66 Ca 0.31 1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 56.52 2rlo s ARG 66 Cb 0.08 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 2rlo s ARG 66 CO 0.16 -2.57 1.48 -1.25 0.02 0.00 0.00 175.30 173.14 2rlo s PRO 67 N -4.70 4.11 -0.42 3.54 0.04 -1.26 -4.93 135.00 131.38 2rlo s PRO 67 Ca 0.66 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 2rlo s PRO 67 Cb -0.21 -3.91 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 2rlo s PRO 67 CO 0.58 -0.90 2.37 -2.30 0.04 0.00 0.00 177.00 176.80 2rlo n PRO 68 N 7.05 1.28 -2.51 0.56 -0.02 -1.26 -4.90 135.00 135.20 2rlo n PRO 68 Ca 0.16 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 2rlo n PRO 68 Cb 0.44 -3.39 -0.03 0.00 -0.02 0.00 0.00 33.50 30.50 2rlo n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rlo s ARG 69 N 7.79 3.19 0.07 -0.52 1.81 -1.26 -4.89 118.95 125.13 2rlo s ARG 69 Ca 0.99 -0.10 -0.32 0.00 -1.72 0.00 0.00 55.73 54.58 2rlo s ARG 69 Cb -0.22 -4.17 -0.19 0.00 -0.45 0.00 0.00 34.95 29.92 2rlo s ARG 69 CO 0.29 -2.13 1.63 0.00 -0.68 0.00 0.00 175.30 174.40 2rlo h ALA 70 N 10.37 -0.83 -0.07 2.13 0.00 -2.02 -3.20 119.26 125.64 2rlo h ALA 70 Ca -0.27 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 2rlo h ALA 70 Cb 1.06 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2rlo h ALA 70 CO 1.26 -0.97 -0.90 0.82 0.00 0.00 0.00 179.25 179.46 2rlo h ILE 71 N -0.84 1.30 -5.91 0.00 2.04 -2.03 -3.48 117.51 108.60 2rlo h ILE 71 Ca -0.09 -2.14 -0.40 0.00 1.00 0.00 0.00 64.86 63.23 2rlo h ILE 71 Cb 0.64 2.19 0.11 0.00 -0.74 0.00 0.00 36.82 39.02 2rlo h ILE 71 CO 0.14 0.67 -0.73 -1.20 0.00 0.00 0.00 178.15 177.02 2rlo n SER 72 N -3.88 -4.40 -1.28 1.72 7.64 -1.21 -4.88 113.62 107.34 2rlo n SER 72 Ca -0.09 -0.64 0.05 0.00 1.01 0.00 0.00 58.87 59.21 2rlo n SER 72 Cb 0.81 -4.74 0.25 0.00 -1.01 0.00 0.00 64.21 59.52 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 -4.65 3.17 -3.10 -0.43 0.00 -1.26 -4.91 120.51 109.34 2rlo n ALA 73 Ca -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 53.44 52.19 2rlo n ALA 73 Cb 0.60 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 2rlo n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rlo n PHE 74 N 0.52 -0.05 -2.35 0.00 7.35 -1.26 -5.08 117.46 116.59 2rlo n PHE 74 Ca 0.17 -0.17 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 2rlo n PHE 74 Cb 0.75 0.02 -0.03 0.00 0.35 0.00 0.00 39.48 40.57 2rlo n PHE 74 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2rlo n GLY 75 N 0.07 -5.24 3.71 7.13 0.00 -1.26 -4.89 105.19 104.72 2rlo n GLY 75 Ca 0.00 0.95 -0.42 0.00 0.00 0.00 0.00 46.02 46.56 2rlo n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rlo s PRO 76 N -0.74 4.29 -0.16 1.61 0.04 -1.26 -5.02 135.00 133.76 2rlo s PRO 76 Ca -0.16 2.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2rlo s PRO 76 Cb 0.01 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.35 2rlo s PRO 76 CO 0.42 -0.50 0.42 -1.12 0.04 0.00 0.00 177.00 176.27 2rlo s SER 77 N 1.18 -0.45 0.38 6.66 0.01 -1.26 -5.04 113.70 115.18 2rlo s SER 77 Ca 0.66 0.86 0.09 0.00 1.31 0.00 0.00 55.95 58.87 2rlo s SER 77 Cb -0.39 0.86 0.76 0.00 0.21 0.00 0.00 66.02 67.47 2rlo s SER 77 CO 0.30 -0.15 1.91 0.00 0.41 0.00 0.00 173.24 175.72 2rlo h ALA 78 N 5.54 1.50 -0.39 1.44 0.00 -2.00 -3.40 119.26 121.94 2rlo h ALA 78 Ca -0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2rlo h ALA 78 Cb 1.18 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 2rlo h ALA 78 CO 0.24 0.36 -0.21 0.45 0.00 0.00 0.00 179.25 180.09 2rlo s SER 79 N -6.86 -0.57 1.62 0.00 0.15 -1.26 -5.11 113.70 101.67 2rlo s SER 79 Ca -0.06 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2rlo s SER 79 Cb 0.15 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2rlo s SER 79 CO 0.74 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.76 2rlo n GLY 80 N 2.77 3.23 3.36 9.45 0.00 -1.26 -4.77 105.19 117.98 2rlo n GLY 80 Ca 0.13 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.00 2.09 1.12 1.61 0.01 -1.26 -4.79 113.70 108.48 2rlo s SER 81 Ca 0.00 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 55.95 2rlo s SER 81 Cb 0.00 -0.04 0.12 0.00 0.21 0.00 0.00 66.02 66.31 2rlo s SER 81 CO 0.00 -0.48 0.41 0.00 0.41 0.00 0.00 173.24 173.57 2rlo n ALA 82 N -0.48 -1.47 -1.54 1.44 0.00 -1.26 -4.96 120.51 112.25 2rlo n ALA 82 Ca -0.05 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.54 2rlo n ALA 82 Cb 0.64 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.72 5.60 0.05 0.00 0.00 -1.26 -4.46 105.19 104.40 2rlo n GLY 83 Ca 0.06 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.95 1.58 -3.70 1.61 7.27 -1.26 -5.04 117.38 116.89 2rlo n GLN 84 Ca 0.50 0.03 -0.12 0.00 0.07 0.00 0.00 57.00 57.47 2rlo n GLN 84 Cb 0.97 -1.25 -0.10 0.00 2.41 0.00 0.00 30.24 32.28 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2rlo s ALA 85 N -2.24 -1.19 -0.67 1.69 0.00 -1.26 -5.11 121.76 112.97 2rlo s ALA 85 Ca -0.10 1.45 -0.27 0.00 0.00 0.00 0.00 51.96 53.05 2rlo s ALA 85 Cb 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.33 2rlo s ALA 85 CO 0.35 -0.24 1.21 -2.00 0.00 0.00 0.00 175.76 175.08 2rlo s GLU 86 N 0.59 3.30 0.48 0.00 -6.30 -1.26 -4.72 118.70 110.78 2rlo s GLU 86 Ca -0.03 -0.13 0.26 0.00 -2.50 0.00 0.00 54.97 52.58 2rlo s GLU 86 Cb -0.05 -4.12 1.18 0.00 0.00 0.00 0.00 34.13 31.14 2rlo s GLU 86 CO -0.03 -1.93 1.94 1.49 0.02 0.00 0.00 175.26 176.74 2rlo h GLU 87 N 9.79 0.00 -0.87 4.30 4.57 -1.99 -2.67 114.58 127.72 2rlo h GLU 87 Ca -0.27 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.76 2rlo h GLU 87 Cb 1.06 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.56 2rlo h GLU 87 CO 1.23 0.17 0.19 0.39 -1.18 0.00 0.00 179.01 179.81 2rlo n GLU 88 N -3.46 2.55 -2.15 1.92 4.71 -1.26 -4.70 120.64 118.25 2rlo n GLU 88 Ca -0.01 -1.83 -0.43 0.00 -0.01 0.00 0.00 57.16 54.89 2rlo n GLU 88 Cb 0.34 -1.83 -0.02 0.00 -1.01 0.00 0.00 31.44 28.92 2rlo n GLU 88 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2rlo s ASN 89 N -0.41 6.04 -0.53 1.62 3.04 -1.01 -4.96 114.94 118.74 2rlo s ASN 89 Ca 0.33 1.05 -0.19 0.00 0.04 0.00 0.00 52.86 54.09 2rlo s ASN 89 Cb 0.27 -2.53 0.07 0.00 -1.54 0.00 0.00 41.25 37.51 2rlo s ASN 89 CO 0.08 -1.63 0.67 -0.36 -3.04 0.00 0.00 177.10 172.82 2rlo s PHE 90 N 6.39 3.01 -0.02 0.43 0.40 -1.26 -4.93 117.98 122.00 2rlo s PHE 90 Ca 0.71 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2rlo s PHE 90 Cb -0.18 -3.70 0.03 0.00 0.51 0.00 0.00 43.02 39.68 2rlo s PHE 90 CO 0.33 -1.13 0.03 -1.21 0.70 0.00 0.00 175.22 173.93 2rlo s GLU 91 N 2.77 -0.02 0.20 0.44 8.01 -1.26 -3.05 118.70 125.80 2rlo s GLU 91 Ca 0.15 0.18 0.10 0.00 0.01 0.00 0.00 54.97 55.42 2rlo s GLU 91 Cb -0.20 -0.27 -0.04 0.00 -4.31 0.00 0.00 34.13 29.31 2rlo s GLU 91 CO 0.11 -0.17 -0.19 -0.59 0.01 0.00 0.00 175.26 174.43 2rlo s PHE 92 N 1.09 2.02 0.02 1.61 -0.12 -0.54 -4.43 117.98 117.62 2rlo s PHE 92 Ca -0.09 -0.43 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 2rlo s PHE 92 Cb -0.13 -0.96 -0.03 0.00 -0.63 0.00 0.00 43.02 41.27 2rlo s PHE 92 CO -0.03 0.46 -0.25 -0.51 -0.05 0.00 0.00 175.22 174.85 2rlo s LEU 93 N -2.96 2.22 -0.32 -1.99 1.43 0.30 -1.24 118.68 116.12 2rlo s LEU 93 Ca 0.21 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2rlo s LEU 93 Cb -0.05 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.88 2rlo s LEU 93 CO 0.09 0.28 0.04 -0.63 0.23 0.00 0.00 176.35 176.37 2rlo s ILE 94 N -0.75 3.13 -0.20 -0.59 -1.09 0.68 -2.15 121.20 120.23 2rlo s ILE 94 Ca 0.12 -1.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.00 2rlo s ILE 94 Cb -0.10 -2.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 2rlo s ILE 94 CO 0.01 -0.19 0.14 -0.69 -1.23 0.00 0.00 174.94 172.98 2rlo s VAL 95 N 1.26 5.41 0.31 2.92 1.01 0.62 0.30 120.40 132.22 2rlo s VAL 95 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2rlo s VAL 95 Cb -0.20 -3.48 0.06 0.00 0.00 0.00 0.00 36.38 32.76 2rlo s VAL 95 CO -0.01 0.44 0.42 -0.24 0.00 0.00 0.00 175.10 175.71 2rlo n SER 96 N 3.51 0.62 0.15 3.32 2.88 0.25 -0.57 113.62 123.77 2rlo n SER 96 Ca -0.16 -1.51 0.12 0.00 -1.33 0.00 0.00 58.87 55.99 2rlo n SER 96 Cb 0.52 -0.27 0.16 0.00 -0.75 0.00 0.00 64.21 63.87 2rlo n SER 96 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2rlo h SER 97 N -0.23 0.00 -0.71 -3.46 0.87 -1.86 -3.26 113.55 104.91 2rlo h SER 97 Ca -0.14 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.21 2rlo h SER 97 Cb 0.53 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.38 2rlo h SER 97 CO 0.16 0.01 0.22 1.07 -0.53 0.00 0.00 176.83 177.76 2rlo n THR 98 N -2.73 2.91 0.00 2.23 5.66 -1.26 -4.90 114.28 116.19 2rlo n THR 98 Ca 0.03 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.40 2rlo n THR 98 Cb 0.51 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 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 -0.06 3.02 3.64 1.09 0.00 -1.23 -4.98 105.19 106.68 2rlo n GLY 99 Ca 0.39 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.63 1.14 -3.92 1.61 7.27 -1.26 -4.60 117.38 115.99 2rlo n GLN 100 Ca 0.00 0.42 -0.29 0.00 0.07 0.00 0.00 57.00 57.20 2rlo n GLN 100 Cb 0.00 -2.08 -0.16 0.00 2.41 0.00 0.00 30.24 30.41 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 1.87 1.28 -0.49 1.69 2.01 -1.25 0.86 115.64 121.61 2rlo s THR 101 Ca 0.91 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 2rlo s THR 101 Cb -1.01 -1.44 0.06 0.00 0.01 0.00 0.00 72.50 70.13 2rlo s THR 101 CO 0.55 0.13 0.53 0.26 -0.69 0.00 0.00 174.62 175.40 2rlo s TRP 102 N 1.55 3.13 -0.33 4.92 0.52 0.15 -4.87 118.94 124.02 2rlo s TRP 102 Ca -0.00 -0.70 -0.17 0.00 0.02 0.00 0.00 56.10 55.25 2rlo s TRP 102 Cb -0.16 -3.38 -0.01 0.00 -1.15 0.00 0.00 33.47 28.77 2rlo s TRP 102 CO -0.08 -0.93 0.44 -1.58 0.02 0.00 0.00 176.95 174.82 2rlo s HIS 103 N 2.21 3.21 0.33 -1.98 2.46 -1.26 -0.23 115.29 120.02 2rlo s HIS 103 Ca 0.10 0.19 0.08 0.00 0.47 0.00 0.00 55.06 55.90 2rlo s HIS 103 Cb -0.21 -2.77 -0.06 0.00 -0.13 0.00 0.00 32.58 29.40 2rlo s HIS 103 CO 0.10 -0.43 -0.05 -0.06 -2.47 0.00 0.00 174.74 171.82 2rlo s PHE 104 N 2.22 2.20 -0.30 3.88 0.08 -0.37 -4.18 117.98 121.51 2rlo s PHE 104 Ca 0.16 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2rlo s PHE 104 Cb -0.16 -1.32 0.10 0.00 -0.57 0.00 0.00 43.02 41.07 2rlo s PHE 104 CO 0.12 0.40 0.09 -2.00 -0.10 0.00 0.00 175.22 173.73 2rlo s GLU 105 N -3.69 0.66 -0.00 0.44 2.12 0.39 -1.47 118.70 117.15 2rlo s GLU 105 Ca 0.32 -0.95 -0.37 0.00 0.36 0.00 0.00 54.97 54.33 2rlo s GLU 105 Cb 0.04 -1.92 -0.15 0.00 0.26 0.00 0.00 34.13 32.36 2rlo s GLU 105 CO 0.15 -0.95 1.54 0.00 -0.54 0.00 0.00 175.26 175.46 2rlo n ALA 106 N 4.91 -0.11 0.21 6.30 0.00 -1.17 -2.11 120.51 128.54 2rlo n ALA 106 Ca -0.03 0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.92 2rlo n ALA 106 Cb 0.43 -2.21 0.58 0.00 0.00 0.00 0.00 19.45 18.24 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 5.97 1.90 -3.15 0.00 0.00 -1.91 -3.43 119.26 118.65 2rlo h ALA 107 Ca -0.47 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 2rlo h ALA 107 Cb 1.31 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.89 2rlo h ALA 107 CO 0.86 0.08 -0.81 -1.12 0.00 0.00 0.00 179.25 178.26 2rlo s SER 108 N -7.00 3.52 0.02 0.00 0.01 -1.26 -5.06 113.70 103.93 2rlo s SER 108 Ca -0.05 -0.84 -0.26 0.00 1.31 0.00 0.00 55.95 56.10 2rlo s SER 108 Cb 0.17 -0.30 -0.17 0.00 0.21 0.00 0.00 66.02 65.93 2rlo s SER 108 CO 0.68 0.12 1.32 -0.26 0.41 0.00 0.00 173.24 175.51 2rlo h PHE 109 N 3.15 -0.49 -0.32 2.43 -1.00 -1.98 -1.91 116.94 116.82 2rlo h PHE 109 Ca -0.46 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.32 2rlo h PHE 109 Cb 1.21 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.91 2rlo h PHE 109 CO 0.69 -0.18 0.21 0.93 -1.61 0.00 0.00 178.31 178.35 2rlo h GLU 110 N -0.79 0.36 -0.53 1.51 5.08 -1.97 -1.88 114.58 116.36 2rlo h GLU 110 Ca -0.05 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2rlo h GLU 110 Cb 0.53 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2rlo h GLU 110 CO 0.09 0.24 -0.09 1.49 -1.00 0.00 0.00 179.01 179.73 2rlo h GLU 111 N 0.37 0.98 -0.23 2.33 4.57 -1.93 -2.38 114.58 118.29 2rlo h GLU 111 Ca 0.12 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2rlo h GLU 111 Cb 0.04 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2rlo h GLU 111 CO -0.03 1.02 0.00 -0.09 -1.18 0.00 0.00 179.01 178.74 2rlo h ARG 112 N 0.88 0.08 -0.33 1.92 2.43 -0.51 0.18 114.38 119.02 2rlo h ARG 112 Ca 0.14 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2rlo h ARG 112 Cb 0.64 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2rlo h ARG 112 CO 0.04 0.05 0.13 -0.44 -1.51 0.00 0.00 179.97 178.24 2rlo h ASP 113 N 0.08 0.46 -0.17 -3.80 3.32 -1.49 -0.91 116.42 113.90 2rlo h ASP 113 Ca 0.11 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.03 2rlo h ASP 113 Cb 0.13 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2rlo h ASP 113 CO -0.18 0.51 -0.15 0.00 -1.72 0.00 0.00 179.24 177.70 2rlo h ALA 114 N 0.97 -0.03 0.24 3.45 0.00 -1.02 0.35 119.26 123.22 2rlo h ALA 114 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2rlo h ALA 114 Cb 0.19 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2rlo h ALA 114 CO -0.01 -0.58 -0.26 -1.49 0.00 0.00 0.00 179.25 176.91 2rlo h TRP 115 N -0.16 -0.68 -0.78 0.00 4.06 -0.82 1.25 115.95 118.81 2rlo h TRP 115 Ca 0.11 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.19 2rlo h TRP 115 Cb 0.32 0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.70 2rlo h TRP 115 CO -0.29 -0.37 0.51 0.28 -3.56 0.00 0.00 178.44 175.01 2rlo h VAL 116 N -0.54 0.86 0.00 1.49 2.07 -0.77 0.38 116.25 119.75 2rlo h VAL 116 Ca -0.00 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 2rlo h VAL 116 Cb 0.50 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2rlo h VAL 116 CO -0.07 0.11 -0.77 1.56 0.02 0.00 0.00 177.57 178.42 2rlo h GLN 117 N 0.58 0.00 -0.16 1.57 4.20 0.58 -2.54 115.11 119.34 2rlo h GLN 117 Ca 0.38 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.89 2rlo h GLN 117 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2rlo h GLN 117 CO -0.14 0.77 -0.71 0.00 -0.67 0.00 0.00 178.83 178.08 2rlo h ALA 118 N 1.23 0.45 -0.04 3.87 0.00 0.47 0.68 119.26 125.92 2rlo h ALA 118 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2rlo h ALA 118 Cb 1.55 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2rlo h ALA 118 CO 0.10 0.70 -0.04 0.82 0.00 0.00 0.00 179.25 180.83 2rlo h ILE 119 N 0.48 1.39 -0.15 0.00 5.03 -0.46 -0.86 117.51 122.95 2rlo h ILE 119 Ca -0.03 -1.22 -0.08 0.00 -0.12 0.00 0.00 64.86 63.40 2rlo h ILE 119 Cb 1.31 2.13 -0.01 0.00 -3.03 0.00 0.00 36.82 37.22 2rlo h ILE 119 CO 0.14 0.33 -0.27 1.05 -0.68 0.00 0.00 178.15 178.72 2rlo h GLU 120 N -0.38 0.27 -0.33 2.37 4.11 -1.50 -1.89 114.58 117.23 2rlo h GLU 120 Ca 0.01 -0.10 -0.16 0.00 0.07 0.00 0.00 59.36 59.18 2rlo h GLU 120 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2rlo h GLU 120 CO 0.01 0.53 -0.41 0.66 0.07 0.00 0.00 179.01 179.87 2rlo h SER 121 N 0.25 0.89 0.00 3.06 4.64 -0.81 -1.42 113.55 120.16 2rlo h SER 121 Ca 0.04 -0.42 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 2rlo h SER 121 Cb 0.61 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2rlo h SER 121 CO 0.04 1.19 -0.19 1.56 -0.87 0.00 0.00 176.83 178.56 2rlo h GLN 122 N 0.67 0.34 -0.18 4.77 7.50 -0.84 -1.78 115.11 125.60 2rlo h GLN 122 Ca 0.05 -0.10 -0.19 0.00 0.50 0.00 0.00 58.65 58.91 2rlo h GLN 122 Cb 0.99 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.48 2rlo h GLN 122 CO 0.09 0.53 -0.64 0.82 -1.50 0.00 0.00 178.83 178.13 2rlo h ILE 123 N 0.32 1.31 -0.22 2.54 2.04 -1.09 -1.42 117.51 120.99 2rlo h ILE 123 Ca 0.06 -1.89 -0.11 0.00 1.00 0.00 0.00 64.86 63.91 2rlo h ILE 123 Cb 0.52 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2rlo h ILE 123 CO 0.03 0.59 -0.34 0.25 0.00 0.00 0.00 178.15 178.69 2rlo h LEU 124 N 0.49 0.47 -0.16 1.44 5.85 -0.93 0.16 115.31 122.63 2rlo h LEU 124 Ca -0.01 -0.18 -0.23 0.00 0.84 0.00 0.00 57.88 58.30 2rlo h LEU 124 Cb 1.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2rlo h LEU 124 CO 0.13 0.78 -0.96 0.00 -0.34 0.00 0.00 178.44 178.04 2rlo h ALA 125 N 1.25 0.36 0.01 1.25 0.00 -1.28 -2.57 119.26 118.28 2rlo h ALA 125 Ca 0.05 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 2rlo h ALA 125 Cb 0.78 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2rlo h ALA 125 CO 0.06 0.85 -0.94 1.03 0.00 0.00 0.00 179.25 180.25 2rlo h SER 126 N 0.19 0.07 -0.11 0.00 0.87 -1.11 -3.30 113.55 110.16 2rlo h SER 126 Ca -0.08 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 2rlo h SER 126 Cb 1.61 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2rlo h SER 126 CO 0.16 0.97 -0.19 -0.07 -0.53 0.00 0.00 176.83 177.18 2rlo h LEU 127 N 0.02 0.35 0.00 2.23 3.38 -0.71 -3.49 115.31 117.09 2rlo h LEU 127 Ca -0.02 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2rlo h LEU 127 Cb 1.64 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2rlo h LEU 127 CO 0.13 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.49