#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 3.49 -0.04 5.13 0.00 -1.26 -5.03 121.76 124.05 2rlo s ALA 2 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.28 2rlo s ALA 2 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2rlo s ALA 2 CO 0.00 -0.09 -0.07 0.42 0.00 0.00 0.00 175.76 176.01 2rlo s ILE 3 N -2.76 0.70 0.15 0.00 1.01 -1.26 -4.93 121.20 114.12 2rlo s ILE 3 Ca 0.26 -0.27 -0.32 0.00 0.00 0.00 0.00 60.65 60.32 2rlo s ILE 3 Cb 0.07 -0.66 -0.12 0.00 0.01 0.00 0.00 42.46 41.77 2rlo s ILE 3 CO 0.14 0.24 1.75 -2.65 0.00 0.00 0.00 174.94 174.42 2rlo n PRO 4 N 3.62 2.64 0.07 2.79 -0.02 -1.26 -1.10 135.00 141.74 2rlo n PRO 4 Ca -0.21 0.96 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2rlo n PRO 4 Cb 0.53 -2.81 -0.05 0.00 -0.02 0.00 0.00 33.50 31.15 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 4.21 0.41 0.00 4.25 2.08 0.73 -4.87 119.36 126.17 2rlo n ILE 5 Ca 0.17 -0.52 0.00 0.00 0.56 0.00 0.00 62.75 62.96 2rlo n ILE 5 Cb 0.34 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 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 -2.51 0.00 -3.84 0.38 3.00 -0.73 -4.86 118.16 109.60 2rlo n LYS 6 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.03 2rlo n LYS 6 Cb 0.55 0.00 -0.17 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 1.12 0.07 1.64 -2.07 -1.26 0.97 119.66 120.14 2rlo s GLN 7 Ca 0.00 -0.41 -0.12 0.00 -1.82 0.00 0.00 55.36 53.01 2rlo s GLN 7 Cb 0.00 -1.88 0.04 0.00 -1.09 0.00 0.00 33.01 30.08 2rlo s GLN 7 CO 0.00 -0.46 0.57 0.45 -1.32 0.00 0.00 175.29 174.52 2rlo n SER 8 N 4.95 -0.85 -4.72 12.60 2.88 -0.12 -4.99 113.62 123.37 2rlo n SER 8 Ca -0.10 -1.40 -0.41 0.00 -1.33 0.00 0.00 58.87 55.62 2rlo n SER 8 Cb 0.48 1.37 -0.04 0.00 -0.75 0.00 0.00 64.21 65.27 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 -3.68 3.69 0.14 0.66 0.08 -1.26 -0.89 117.98 116.73 2rlo s PHE 9 Ca 0.13 1.61 0.08 0.00 0.12 0.00 0.00 56.93 58.87 2rlo s PHE 9 Cb -0.01 -3.00 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2rlo s PHE 9 CO 0.02 0.10 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.55 2rlo s LEU 10 N 0.57 2.40 -0.07 -0.37 1.02 -0.54 -4.19 118.68 117.49 2rlo s LEU 10 Ca 0.46 -0.81 -0.19 0.00 0.02 0.00 0.00 54.13 53.61 2rlo s LEU 10 Cb -0.21 -0.83 -0.05 0.00 0.02 0.00 0.00 46.19 45.13 2rlo s LEU 10 CO 0.26 -0.01 0.53 -0.22 0.02 0.00 0.00 176.35 176.93 2rlo s LEU 11 N -2.43 4.33 -0.27 1.79 2.96 -0.93 0.14 118.68 124.27 2rlo s LEU 11 Ca 0.13 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2rlo s LEU 11 Cb -0.07 -2.79 0.06 0.00 0.50 0.00 0.00 46.19 43.88 2rlo s LEU 11 CO 0.06 0.04 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.29 2rlo s LYS 12 N 0.30 2.33 0.58 1.98 2.47 -0.44 -0.81 119.74 126.15 2rlo s LYS 12 Ca 0.29 -1.30 -0.20 0.00 -1.56 0.00 0.00 55.97 53.19 2rlo s LYS 12 Cb -0.16 -2.96 -0.04 0.00 -1.46 0.00 0.00 37.83 33.21 2rlo s LYS 12 CO 0.13 -0.57 1.20 2.89 0.16 0.00 0.00 175.35 179.17 2rlo n ARG 13 N 4.49 1.28 -3.61 4.03 1.85 -1.26 -1.49 116.66 121.96 2rlo n ARG 13 Ca -0.14 0.48 -0.09 0.00 -1.00 0.00 0.00 57.85 57.10 2rlo n ARG 13 Cb 0.43 -2.41 -0.10 0.00 -1.05 0.00 0.00 32.46 29.33 2rlo n ARG 13 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rlo s SER 14 N -1.12 -0.11 0.00 2.89 0.15 0.28 -4.86 113.70 110.93 2rlo s SER 14 Ca 0.75 0.83 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2rlo s SER 14 Cb -0.42 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2rlo s SER 14 CO 0.47 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2rlo n GLY 15 N 5.38 0.61 3.90 9.45 0.00 -1.26 -3.81 105.19 119.46 2rlo n GLY 15 Ca -0.07 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.00 4.70 0.14 1.61 -0.87 -1.21 -4.99 114.94 110.31 2rlo s ASN 16 Ca 0.00 0.82 -0.08 0.00 -1.57 0.00 0.00 52.86 52.04 2rlo s ASN 16 Cb 0.00 -1.38 -0.05 0.00 -0.02 0.00 0.00 41.25 39.80 2rlo s ASN 16 CO 0.00 -1.78 1.38 -1.28 -2.57 0.00 0.00 177.10 172.85 2rlo h SER 17 N -0.95 0.77 -0.50 -1.22 0.87 -2.01 -3.23 113.55 107.29 2rlo h SER 17 Ca -0.46 -0.48 -0.12 0.00 -1.23 0.00 0.00 61.79 59.50 2rlo h SER 17 Cb 1.31 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2rlo h SER 17 CO 0.65 1.25 -0.16 0.25 -0.53 0.00 0.00 176.83 178.30 2rlo h LEU 18 N 0.46 1.00 -7.65 2.23 6.46 -2.04 -3.38 115.31 112.39 2rlo h LEU 18 Ca -0.03 -0.38 -0.68 0.00 -0.12 0.00 0.00 57.88 56.67 2rlo h LEU 18 Cb 1.32 -0.27 -0.36 0.00 -0.73 0.00 0.00 40.66 40.61 2rlo h LEU 18 CO 0.14 1.15 -0.50 0.20 -0.62 0.00 0.00 178.44 178.80 2rlo s ASN 19 N -6.65 5.08 0.59 1.25 0.01 -1.22 -5.09 114.94 108.91 2rlo s ASN 19 Ca -0.12 -2.50 -0.10 0.00 -0.71 0.00 0.00 52.86 49.43 2rlo s ASN 19 Cb 0.12 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.95 2rlo s ASN 19 CO 0.86 -0.42 0.98 -0.54 -1.51 0.00 0.00 177.10 176.48 2rlo s LYS 20 N 0.45 3.60 -0.31 -0.60 1.02 -1.24 -3.35 119.74 119.32 2rlo s LYS 20 Ca 0.13 0.66 0.02 0.00 0.02 0.00 0.00 55.97 56.81 2rlo s LYS 20 Cb -0.22 -2.13 0.19 0.00 -0.52 0.00 0.00 37.83 35.15 2rlo s LYS 20 CO -0.04 -0.49 0.70 -2.00 -0.92 0.00 0.00 175.35 172.60 2rlo s GLU 21 N -5.06 0.50 -0.16 1.68 2.56 -1.25 -4.94 118.70 112.03 2rlo s GLU 21 Ca 0.54 0.34 -0.16 0.00 0.00 0.00 0.00 54.97 55.69 2rlo s GLU 21 Cb -0.11 0.18 -0.04 0.00 2.00 0.00 0.00 34.13 36.16 2rlo s GLU 21 CO 0.51 -0.88 0.39 -1.58 -0.56 0.00 0.00 175.26 173.14 2rlo s TRP 22 N 2.69 3.44 0.25 5.30 0.52 -1.26 0.10 118.94 129.99 2rlo s TRP 22 Ca 0.14 0.69 0.07 0.00 0.02 0.00 0.00 56.10 57.03 2rlo s TRP 22 Cb -0.07 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 2rlo s TRP 22 CO -0.22 0.12 0.20 0.15 0.02 0.00 0.00 176.95 177.21 2rlo s LYS 23 N 0.86 2.92 0.05 4.98 -0.14 -0.56 -4.71 119.74 123.14 2rlo s LYS 23 Ca 0.20 -1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 53.45 2rlo s LYS 23 Cb -0.14 -2.56 -0.08 0.00 -1.68 0.00 0.00 37.83 33.36 2rlo s LYS 23 CO 0.07 0.39 1.78 0.15 -0.76 0.00 0.00 175.35 176.99 2rlo s LYS 24 N -3.85 4.17 0.51 1.68 -0.14 -1.26 -1.33 119.74 119.51 2rlo s LYS 24 Ca 0.33 2.44 0.01 0.00 -1.36 0.00 0.00 55.97 57.39 2rlo s LYS 24 Cb -0.08 -3.84 -0.00 0.00 -1.68 0.00 0.00 37.83 32.23 2rlo s LYS 24 CO 0.25 -0.84 0.03 0.21 -0.76 0.00 0.00 175.35 174.24 2rlo s LYS 25 N 3.48 2.18 -0.11 1.68 2.47 0.37 -4.55 119.74 125.26 2rlo s LYS 25 Ca 0.79 -2.41 -0.03 0.00 -1.56 0.00 0.00 55.97 52.77 2rlo s LYS 25 Cb -0.41 -1.31 0.04 0.00 -1.46 0.00 0.00 37.83 34.70 2rlo s LYS 25 CO 0.35 -0.44 0.07 -0.47 0.16 0.00 0.00 175.35 175.02 2rlo s TYR 26 N -2.96 0.23 0.08 4.03 6.14 -0.72 -1.47 117.35 122.68 2rlo s TYR 26 Ca 0.05 -0.09 0.09 0.00 0.64 0.00 0.00 57.07 57.76 2rlo s TYR 26 Cb 0.00 -0.63 -0.03 0.00 0.42 0.00 0.00 41.96 41.72 2rlo s TYR 26 CO 0.04 -0.37 -0.23 0.08 0.64 0.00 0.00 175.55 175.71 2rlo s VAL 27 N 2.12 1.92 -0.17 3.14 1.01 -0.07 0.21 120.40 128.56 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 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.61 2rlo s VAL 27 CO -0.06 0.13 0.08 -0.89 0.00 0.00 0.00 175.10 174.36 2rlo s THR 28 N -0.97 0.04 -0.34 3.92 2.01 0.84 -0.95 115.64 120.20 2rlo s THR 28 Ca 0.10 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 2rlo s THR 28 Cb -0.10 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2rlo s THR 28 CO 0.04 -0.24 0.68 -0.22 -0.69 0.00 0.00 174.62 174.19 2rlo s LEU 29 N 2.08 4.18 0.26 4.42 1.98 0.27 -2.28 118.68 129.59 2rlo s LEU 29 Ca 0.02 0.32 0.07 0.00 -2.89 0.00 0.00 54.13 51.65 2rlo s LEU 29 Cb -0.16 -2.88 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2rlo s LEU 29 CO -0.08 -0.60 0.22 -0.55 -1.89 0.00 0.00 176.35 173.45 2rlo s SER 30 N 1.74 5.54 0.00 3.68 0.15 -1.08 0.26 113.70 124.00 2rlo s SER 30 Ca 0.27 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.86 2rlo s SER 30 Cb -0.14 -1.37 1.20 0.00 -1.71 0.00 0.00 66.02 64.00 2rlo s SER 30 CO 0.14 -0.09 1.66 -0.24 1.20 0.00 0.00 173.24 175.91 2rlo n SER 31 N -1.23 0.00 -1.45 5.45 2.88 -0.26 -3.40 113.62 115.62 2rlo n SER 31 Ca -0.07 -0.99 -0.06 0.00 -1.33 0.00 0.00 58.87 56.42 2rlo n SER 31 Cb 0.58 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.89 3.36 -3.89 -3.46 2.85 -1.26 -4.85 115.26 107.13 2rlo n ASN 32 Ca 0.15 -2.66 -0.30 0.00 -0.11 0.00 0.00 54.58 51.66 2rlo n ASN 32 Cb 0.07 -0.64 0.03 0.00 1.24 0.00 0.00 39.78 40.48 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rlo n GLY 33 N -0.07 -0.50 2.77 8.20 0.00 -1.22 -4.95 105.19 109.42 2rlo n GLY 33 Ca 0.23 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.29 0.17 -0.29 1.61 2.19 -1.25 -1.49 117.98 115.63 2rlo s PHE 34 Ca 0.66 0.09 -0.08 0.00 0.33 0.00 0.00 56.93 57.93 2rlo s PHE 34 Cb -0.33 -0.37 -0.01 0.00 -1.31 0.00 0.00 43.02 41.00 2rlo s PHE 34 CO 0.82 -0.13 0.12 -1.17 1.83 0.00 0.00 175.22 176.68 2rlo s LEU 35 N 1.29 3.85 0.07 6.12 2.96 -0.84 -2.65 118.68 129.48 2rlo s LEU 35 Ca -0.06 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2rlo s LEU 35 Cb -0.13 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2rlo s LEU 35 CO -0.03 -0.14 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.00 2rlo s LEU 36 N 1.60 3.01 -0.23 -0.68 1.02 -0.97 0.30 118.68 122.73 2rlo s LEU 36 Ca 0.05 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 53.75 2rlo s LEU 36 Cb -0.16 -1.79 0.07 0.00 0.02 0.00 0.00 46.19 44.33 2rlo s LEU 36 CO 0.05 0.22 0.56 -0.72 0.02 0.00 0.00 176.35 176.48 2rlo s TYR 37 N -1.11 -0.86 0.26 0.29 1.13 0.11 -0.11 117.35 117.05 2rlo s TYR 37 Ca 0.19 1.75 0.12 0.00 -1.41 0.00 0.00 57.07 57.72 2rlo s TYR 37 Cb -0.11 0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 2rlo s TYR 37 CO 0.11 -0.45 -0.21 -1.01 -2.51 0.00 0.00 175.55 171.48 2rlo s HIS 38 N 1.55 2.29 0.29 -3.49 0.09 0.13 -1.62 115.29 114.54 2rlo s HIS 38 Ca -0.10 -0.34 0.05 0.00 -0.00 0.00 0.00 55.06 54.67 2rlo s HIS 38 Cb -0.07 -1.03 0.75 0.00 -0.00 0.00 0.00 32.58 32.23 2rlo s HIS 38 CO -0.17 0.66 1.71 -1.35 -0.00 0.00 0.00 174.74 175.59 2rlo h PRO 39 N 2.53 0.45 0.00 8.40 0.11 -1.86 -1.91 132.00 139.72 2rlo h PRO 39 Ca -0.42 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2rlo h PRO 39 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2rlo h PRO 39 CO 0.57 0.30 0.03 0.45 -0.21 0.00 0.00 178.00 179.13 2rlo n SER 40 N -4.99 -0.49 -0.14 -2.05 2.88 -1.26 -4.13 113.62 103.45 2rlo n SER 40 Ca 0.23 -1.42 -0.11 0.00 -1.33 0.00 0.00 58.87 56.24 2rlo n SER 40 Cb 0.66 0.83 -0.02 0.00 -0.75 0.00 0.00 64.21 64.93 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 1.25 1.27 -0.66 2.46 5.03 -1.89 -2.47 117.51 122.49 2rlo h ILE 41 Ca -0.08 -1.07 0.19 0.00 -0.12 0.00 0.00 64.86 63.78 2rlo h ILE 41 Cb 0.30 1.17 -0.03 0.00 -3.03 0.00 0.00 36.82 35.24 2rlo h ILE 41 CO 0.10 0.36 0.54 0.78 -0.68 0.00 0.00 178.15 179.26 2rlo h ASN 42 N 0.54 0.00 0.13 1.72 2.35 -1.98 0.36 115.58 118.70 2rlo h ASN 42 Ca 0.11 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.58 2rlo h ASN 42 Cb 0.53 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.92 2rlo h ASN 42 CO 0.03 0.00 -1.13 0.44 -1.65 0.00 0.00 177.43 175.12 2rlo h ASP 43 N 0.00 0.82 0.06 5.81 5.19 -1.76 -1.70 116.42 124.84 2rlo h ASP 43 Ca 0.32 -0.71 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2rlo h ASP 43 Cb 1.40 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2rlo h ASP 43 CO -0.00 1.52 -0.03 0.22 -3.12 0.00 0.00 179.24 177.82 2rlo h TYR 44 N 0.31 -0.07 0.76 4.55 3.20 -0.28 0.92 116.97 126.36 2rlo h TYR 44 Ca -0.15 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 2rlo h TYR 44 Cb 1.79 0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.09 2rlo h TYR 44 CO 0.10 0.41 -0.39 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.60 0.00 0.00 1.81 2.04 -0.68 -3.16 117.51 116.92 2rlo h ILE 45 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2rlo h ILE 45 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2rlo h ILE 45 CO 0.01 0.00 -0.31 0.45 0.00 0.00 0.00 178.15 178.30 2rlo h HIS 46 N -1.05 0.00 -3.27 1.37 3.86 -1.44 -3.49 115.15 111.14 2rlo h HIS 46 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2rlo h HIS 46 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2rlo h HIS 46 CO 0.03 0.31 -0.02 0.43 0.86 0.00 0.00 177.93 179.53 2rlo n SER 47 N -3.39 -2.67 -4.14 2.45 7.64 0.28 -5.02 113.62 108.78 2rlo n SER 47 Ca 0.00 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2rlo n SER 47 Cb 0.51 -1.50 -0.16 0.00 -1.01 0.00 0.00 64.21 62.06 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 2.23 0.00 0.44 -4.23 0.76 -4.83 115.64 107.77 2rlo s THR 48 Ca 0.01 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2rlo s THR 48 Cb -0.00 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.88 2rlo s THR 48 CO 0.09 0.51 0.00 1.41 -0.54 0.00 0.00 174.62 176.08 2rlo n HIS 49 N 4.64 0.00 -3.07 3.99 8.25 -1.26 -4.77 115.22 123.00 2rlo n HIS 49 Ca -0.20 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2rlo n HIS 49 Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rlo n GLY 50 N 0.00 -1.15 3.71 -1.41 0.00 -1.26 -4.89 105.19 100.19 2rlo n GLY 50 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.16 4.56 0.07 1.61 -0.14 -0.64 -4.90 119.74 119.14 2rlo s LYS 51 Ca -0.00 1.38 0.08 0.00 -1.36 0.00 0.00 55.97 56.06 2rlo s LYS 51 Cb 0.00 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 2rlo s LYS 51 CO 0.21 -0.02 -0.20 -1.21 -0.76 0.00 0.00 175.35 173.36 2rlo s GLU 52 N 0.93 1.22 -0.15 1.68 2.02 -1.26 0.06 118.70 123.20 2rlo s GLU 52 Ca 0.51 -1.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 2rlo s GLU 52 Cb -0.21 -1.40 0.04 0.00 0.10 0.00 0.00 34.13 32.66 2rlo s GLU 52 CO 0.27 0.34 -0.04 1.41 0.02 0.00 0.00 175.26 177.27 2rlo s MET 53 N -1.54 1.22 0.08 1.61 -2.45 0.15 -4.97 119.30 113.40 2rlo s MET 53 Ca 0.06 -0.36 -0.33 0.00 -1.25 0.00 0.00 55.69 53.81 2rlo s MET 53 Cb -0.09 -1.79 -0.12 0.00 1.25 0.00 0.00 34.83 34.07 2rlo s MET 53 CO 0.03 -0.41 1.75 -0.40 1.05 0.00 0.00 175.02 177.04 2rlo n ASP 54 N 4.95 3.52 -1.91 1.11 5.75 -1.26 -1.98 116.55 126.73 2rlo n ASP 54 Ca -0.11 1.02 -0.19 0.00 -0.01 0.00 0.00 54.79 55.50 2rlo n ASP 54 Cb 0.48 -1.45 0.10 0.00 -1.03 0.00 0.00 41.12 39.22 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2rlo n LEU 55 N 5.08 6.00 -0.07 -2.12 4.77 -0.55 -4.39 117.00 125.71 2rlo n LEU 55 Ca 0.19 -3.18 -0.11 0.00 -0.03 0.00 0.00 56.01 52.88 2rlo n LEU 55 Cb 0.32 -0.82 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2rlo n LEU 55 CO 0.67 1.01 0.01 0.25 -1.33 0.00 0.00 177.39 178.01 2rlo h LEU 56 N 1.40 0.00 -5.21 2.23 6.46 -1.88 -3.20 115.31 115.12 2rlo h LEU 56 Ca 0.43 -0.53 -0.49 0.00 -0.12 0.00 0.00 57.88 57.18 2rlo h LEU 56 Cb 1.86 0.00 -0.41 0.00 -0.73 0.00 0.00 40.66 41.38 2rlo h LEU 56 CO 0.87 0.95 -0.99 -2.11 -0.62 0.00 0.00 178.44 176.54 2rlo n ARG 57 N -4.62 2.00 -3.75 1.25 0.00 -1.26 -4.51 116.66 105.78 2rlo n ARG 57 Ca -0.12 -3.87 -0.20 0.00 -0.00 0.00 0.00 57.85 53.66 2rlo n ARG 57 Cb 0.38 -1.78 -0.01 0.00 -0.00 0.00 0.00 32.46 31.05 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 -3.74 4.80 0.39 8.89 -4.23 -1.26 -3.95 115.64 116.54 2rlo s THR 58 Ca 0.39 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 2rlo s THR 58 Cb 0.38 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 2rlo s THR 58 CO -0.08 -0.27 0.07 -0.89 -0.54 0.00 0.00 174.62 172.91 2rlo s THR 59 N -2.07 1.06 -0.05 3.99 2.01 0.89 -4.95 115.64 116.51 2rlo s THR 59 Ca 0.38 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.37 2rlo s THR 59 Cb -0.09 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.88 2rlo s THR 59 CO 0.30 0.00 0.10 -0.69 -0.69 0.00 0.00 174.62 173.64 2rlo s VAL 60 N -3.16 -0.10 0.17 3.82 1.01 -1.26 -1.82 120.40 119.06 2rlo s VAL 60 Ca 0.28 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 2rlo s VAL 60 Cb 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.26 2rlo s VAL 60 CO 0.14 0.11 0.37 -1.59 0.00 0.00 0.00 175.10 174.13 2rlo s LYS 61 N 1.51 1.22 0.01 2.72 0.00 -0.92 -4.94 119.74 119.35 2rlo s LYS 61 Ca -0.05 -1.03 0.08 0.00 0.00 0.00 0.00 55.97 54.98 2rlo s LYS 61 Cb -0.12 0.43 -0.02 0.00 0.00 0.00 0.00 37.83 38.12 2rlo s LYS 61 CO -0.04 -0.47 -0.26 0.08 0.00 0.00 0.00 175.35 174.66 2rlo s VAL 62 N -3.92 2.15 -0.87 1.79 1.01 -1.26 0.64 120.40 119.94 2rlo s VAL 62 Ca 0.13 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 2rlo s VAL 62 Cb 0.02 -1.79 -0.22 0.00 0.00 0.00 0.00 36.38 34.39 2rlo s VAL 62 CO -0.02 0.48 2.31 -2.65 0.00 0.00 0.00 175.10 175.22 2rlo n PRO 63 N 2.12 0.34 -3.84 2.72 -0.02 -1.26 -2.27 135.00 132.79 2rlo n PRO 63 Ca -0.16 -0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 60.56 2rlo n PRO 63 Cb 0.51 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.44 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 6.27 -0.41 2.80 -1.23 0.00 -1.26 -4.98 105.19 106.38 2rlo n GLY 64 Ca 0.56 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 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 -6.40 0.78 1.06 1.61 2.20 -0.96 -5.14 119.74 112.89 2rlo s LYS 65 Ca 0.41 0.03 -0.13 0.00 -0.36 0.00 0.00 55.97 55.92 2rlo s LYS 65 Cb -0.20 -1.06 0.19 0.00 -1.51 0.00 0.00 37.83 35.24 2rlo s LYS 65 CO 0.83 -0.28 0.85 2.89 -0.36 0.00 0.00 175.35 179.28 2rlo n ARG 66 N 5.03 -1.43 -1.66 4.03 1.85 -1.26 -4.34 116.66 118.86 2rlo n ARG 66 Ca -0.09 -0.38 -0.52 0.00 -1.00 0.00 0.00 57.85 55.86 2rlo n ARG 66 Cb 0.50 -2.14 -0.06 0.00 -1.05 0.00 0.00 32.46 29.71 2rlo n ARG 66 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2rlo n PRO 67 N -3.95 1.67 -0.45 2.89 -0.02 -1.26 -4.80 135.00 129.08 2rlo n PRO 67 Ca 0.06 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2rlo n PRO 67 Cb 0.54 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2rlo n PRO 67 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2rlo n PRO 68 N 6.43 1.27 -2.45 0.52 -0.02 -1.26 -4.77 135.00 134.71 2rlo n PRO 68 Ca 0.26 -1.06 -0.43 0.00 -2.02 0.00 0.00 63.50 60.26 2rlo n PRO 68 Cb 0.23 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2rlo n PRO 68 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rlo n ARG 69 N 4.42 3.31 -0.00 -0.52 3.00 -1.26 -4.77 116.66 120.83 2rlo n ARG 69 Ca 0.27 -3.39 0.15 0.00 -0.01 0.00 0.00 57.85 54.87 2rlo n ARG 69 Cb 0.09 -3.15 0.60 0.00 0.00 0.00 0.00 32.46 30.00 2rlo n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rlo h ALA 70 N 6.58 2.22 0.00 7.54 0.00 -2.02 -3.17 119.26 130.41 2rlo h ALA 70 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2rlo h ALA 70 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2rlo h ALA 70 CO 1.53 -0.35 -0.03 0.82 0.00 0.00 0.00 179.25 181.22 2rlo h ILE 71 N 0.18 0.00 -4.92 0.00 5.03 -2.00 -3.50 117.51 112.30 2rlo h ILE 71 Ca 0.23 -0.29 0.01 0.00 -0.12 0.00 0.00 64.86 64.69 2rlo h ILE 71 Cb 0.68 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.35 2rlo h ILE 71 CO -0.04 0.00 -1.51 -0.24 -0.68 0.00 0.00 178.15 175.69 2rlo n SER 72 N -2.84 -1.78 -1.29 1.72 2.88 -1.20 -4.87 113.62 106.24 2rlo n SER 72 Ca -0.00 1.43 0.05 0.00 -1.33 0.00 0.00 58.87 59.01 2rlo n SER 72 Cb 0.02 -5.24 0.25 0.00 -0.75 0.00 0.00 64.21 58.49 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo n ALA 73 N 1.72 3.18 -2.17 -1.46 0.00 -1.26 -4.81 120.51 115.72 2rlo n ALA 73 Ca -0.36 -1.15 -0.31 0.00 0.00 0.00 0.00 53.44 51.62 2rlo n ALA 73 Cb 0.56 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.97 2.11 0.01 0.00 5.36 -1.26 -4.83 117.98 117.40 2rlo s PHE 74 Ca 0.35 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2rlo s PHE 74 Cb 0.25 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2rlo s PHE 74 CO 0.13 -1.35 0.00 0.41 -1.46 0.00 0.00 175.22 172.95 2rlo n GLY 75 N 5.79 -1.48 0.37 13.12 0.00 -1.26 -4.90 105.19 116.84 2rlo n GLY 75 Ca 0.45 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 2rlo n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rlo n PRO 76 N -1.22 -1.15 -4.20 1.61 -0.04 -1.26 -5.05 135.00 123.68 2rlo n PRO 76 Ca 0.00 -0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 62.93 2rlo n PRO 76 Cb 0.02 -0.17 -0.08 0.00 -0.04 0.00 0.00 33.50 33.23 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2rlo s SER 77 N -1.80 5.50 0.01 3.54 0.01 -1.26 -5.03 113.70 114.68 2rlo s SER 77 Ca 0.08 0.14 -0.20 0.00 1.31 0.00 0.00 55.95 57.28 2rlo s SER 77 Cb -0.01 -1.56 -0.20 0.00 0.21 0.00 0.00 66.02 64.45 2rlo s SER 77 CO 0.06 0.32 1.16 0.00 0.41 0.00 0.00 173.24 175.19 2rlo h ALA 78 N 4.54 0.13 -5.44 1.44 0.00 -1.98 -3.49 119.26 114.46 2rlo h ALA 78 Ca -0.50 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 53.86 2rlo h ALA 78 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2rlo h ALA 78 CO 0.58 0.29 -0.77 0.43 0.00 0.00 0.00 179.25 179.79 2rlo n SER 79 N -4.30 -7.65 0.00 0.00 7.64 -1.26 -4.96 113.62 103.08 2rlo n SER 79 Ca -0.09 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2rlo n SER 79 Cb 0.59 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 2rlo n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rlo n GLY 80 N 0.14 -0.41 3.74 0.23 0.00 -1.26 -5.13 105.19 102.51 2rlo n GLY 80 Ca 0.05 0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 2rlo n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rlo s SER 81 N -4.00 6.93 0.00 1.61 1.04 -1.26 -5.02 113.70 113.00 2rlo s SER 81 Ca 0.00 1.11 -0.15 0.00 0.48 0.00 0.00 55.95 57.38 2rlo s SER 81 Cb 0.00 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.81 2rlo s SER 81 CO 0.00 0.03 0.69 0.00 0.98 0.00 0.00 173.24 174.94 2rlo n ALA 82 N 3.16 -1.93 -1.72 5.32 0.00 -1.26 -5.12 120.51 118.96 2rlo n ALA 82 Ca -0.05 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 2rlo n ALA 82 Cb 0.51 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.49 1.38 2.55 0.00 0.00 -1.26 -4.95 105.19 102.42 2rlo n GLY 83 Ca 0.02 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 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 3.17 2.31 -3.41 1.61 7.27 -1.26 -5.05 117.38 122.02 2rlo n GLN 84 Ca 0.13 -4.60 -0.40 0.00 0.07 0.00 0.00 57.00 52.20 2rlo n GLN 84 Cb 0.35 -2.25 -0.09 0.00 2.41 0.00 0.00 30.24 30.66 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 -2.18 3.50 -0.45 1.69 0.00 -1.26 -4.95 121.76 118.12 2rlo s ALA 85 Ca 0.36 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2rlo s ALA 85 Cb 0.10 -2.79 0.60 0.00 0.00 0.00 0.00 23.12 21.02 2rlo s ALA 85 CO -0.06 -1.01 1.89 0.39 0.00 0.00 0.00 175.76 176.97 2rlo n GLU 86 N 5.36 2.23 0.17 0.00 1.02 -1.26 -4.57 120.64 123.60 2rlo n GLU 86 Ca -0.09 -2.85 -0.13 0.00 -0.02 0.00 0.00 57.16 54.06 2rlo n GLU 86 Cb 0.50 -2.12 -0.08 0.00 -0.02 0.00 0.00 31.44 29.72 2rlo n GLU 86 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2rlo h GLU 87 N 1.08 -0.43 -2.67 3.49 5.08 -2.05 -3.46 114.58 115.62 2rlo h GLU 87 Ca 0.59 0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.70 2rlo h GLU 87 Cb 2.47 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 31.76 2rlo h GLU 87 CO 1.11 -0.12 -0.32 0.39 -1.00 0.00 0.00 179.01 179.06 2rlo n GLU 88 N -5.16 -1.77 -2.62 2.33 1.02 -1.26 -4.88 120.64 108.30 2rlo n GLU 88 Ca -0.10 0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 2rlo n GLU 88 Cb 0.27 -5.23 -0.03 0.00 -0.02 0.00 0.00 31.44 26.43 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 -2.11 6.44 -0.53 1.62 -0.87 -1.26 -4.98 114.94 113.25 2rlo s ASN 89 Ca 0.00 0.05 -0.19 0.00 -1.57 0.00 0.00 52.86 51.16 2rlo s ASN 89 Cb 0.00 -2.54 0.07 0.00 -0.02 0.00 0.00 41.25 38.77 2rlo s ASN 89 CO 0.00 -1.44 0.63 -0.36 -2.57 0.00 0.00 177.10 173.36 2rlo s PHE 90 N 4.79 3.05 -0.15 2.20 0.40 -1.26 -5.01 117.98 122.00 2rlo s PHE 90 Ca 0.41 -0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2rlo s PHE 90 Cb -0.08 -3.65 0.04 0.00 0.51 0.00 0.00 43.02 39.83 2rlo s PHE 90 CO 0.25 -1.09 0.40 -1.21 0.70 0.00 0.00 175.22 174.26 2rlo s GLU 91 N 2.56 0.46 0.03 0.44 8.01 -1.26 -3.78 118.70 125.15 2rlo s GLU 91 Ca 0.13 0.57 0.03 0.00 0.01 0.00 0.00 54.97 55.71 2rlo s GLU 91 Cb -0.21 0.21 -0.02 0.00 -4.31 0.00 0.00 34.13 29.80 2rlo s GLU 91 CO 0.10 -0.06 -0.10 -0.59 0.01 0.00 0.00 175.26 174.61 2rlo s PHE 92 N 0.30 0.87 -0.08 1.61 -0.71 -0.81 -4.65 117.98 114.52 2rlo s PHE 92 Ca -0.01 -0.33 -0.00 0.00 -1.04 0.00 0.00 56.93 55.55 2rlo s PHE 92 Cb -0.03 -0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 2rlo s PHE 92 CO -0.00 -0.01 -0.04 -0.51 -1.34 0.00 0.00 175.22 173.31 2rlo s LEU 93 N -1.02 3.32 -0.35 -1.99 1.43 0.21 -1.70 118.68 118.58 2rlo s LEU 93 Ca -0.02 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2rlo s LEU 93 Cb -0.07 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2rlo s LEU 93 CO 0.01 0.36 0.12 -0.63 0.23 0.00 0.00 176.35 176.43 2rlo s ILE 94 N -0.80 3.67 -0.15 -0.59 -1.09 0.10 -2.15 121.20 120.20 2rlo s ILE 94 Ca 0.12 -1.28 -0.06 0.00 -2.23 0.00 0.00 60.65 57.20 2rlo s ILE 94 Cb -0.11 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 2rlo s ILE 94 CO 0.02 -0.25 0.07 -0.69 -1.23 0.00 0.00 174.94 172.85 2rlo s VAL 95 N 1.36 4.88 0.58 2.92 1.01 -0.76 0.27 120.40 130.66 2rlo s VAL 95 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.05 2rlo s VAL 95 Cb -0.20 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.11 2rlo s VAL 95 CO 0.02 0.53 0.71 -0.55 0.00 0.00 0.00 175.10 175.81 2rlo s SER 96 N -0.26 4.95 0.00 3.32 0.15 0.82 -0.08 113.70 122.61 2rlo s SER 96 Ca 0.08 -0.98 0.30 0.00 0.70 0.00 0.00 55.95 56.05 2rlo s SER 96 Cb -0.12 0.41 1.42 0.00 -1.71 0.00 0.00 66.02 66.02 2rlo s SER 96 CO 0.01 -1.33 2.00 -1.54 1.20 0.00 0.00 173.24 173.58 2rlo n SER 97 N -2.16 0.06 -1.25 5.45 3.41 -1.25 -3.20 113.62 114.68 2rlo n SER 97 Ca 0.12 -0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.69 2rlo n SER 97 Cb 0.62 -0.29 0.27 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.29 2.51 0.00 6.66 5.66 -1.26 -4.93 114.28 121.62 2rlo n THR 98 Ca 0.13 -1.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.21 2rlo n THR 98 Cb 0.26 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 -0.43 3.01 3.67 1.09 0.00 -1.19 -4.98 105.19 106.36 2rlo n GLY 99 Ca 0.28 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.76 1.72 -3.92 1.61 -0.06 -1.26 -4.68 117.38 109.04 2rlo n GLN 100 Ca 0.00 0.63 -0.29 0.00 -2.00 0.00 0.00 57.00 55.34 2rlo n GLN 100 Cb 0.00 -2.38 -0.16 0.00 -4.06 0.00 0.00 30.24 23.63 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2rlo s THR 101 N 2.81 1.25 -0.45 1.69 2.01 -1.25 -0.12 115.64 121.58 2rlo s THR 101 Ca 0.91 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 2rlo s THR 101 Cb -0.84 -1.41 0.04 0.00 0.01 0.00 0.00 72.50 70.30 2rlo s THR 101 CO 0.52 0.12 0.43 0.26 -0.69 0.00 0.00 174.62 175.27 2rlo s TRP 102 N 1.57 3.18 -0.33 4.92 0.52 0.14 -4.86 118.94 124.08 2rlo s TRP 102 Ca -0.00 -0.58 -0.14 0.00 0.02 0.00 0.00 56.10 55.39 2rlo s TRP 102 Cb -0.16 -3.02 -0.02 0.00 -1.15 0.00 0.00 33.47 29.12 2rlo s TRP 102 CO -0.08 -0.76 0.32 -1.58 0.02 0.00 0.00 176.95 174.87 2rlo s HIS 103 N 2.01 3.22 0.33 -1.98 2.46 -1.26 0.02 115.29 120.10 2rlo s HIS 103 Ca 0.09 0.00 0.07 0.00 0.47 0.00 0.00 55.06 55.70 2rlo s HIS 103 Cb -0.20 -2.60 -0.07 0.00 -0.13 0.00 0.00 32.58 29.59 2rlo s HIS 103 CO 0.11 -0.37 -0.03 -0.06 -2.47 0.00 0.00 174.74 171.92 2rlo s PHE 104 N 1.95 2.21 -0.24 3.88 0.08 -0.69 -4.01 117.98 121.15 2rlo s PHE 104 Ca 0.11 -0.68 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 2rlo s PHE 104 Cb -0.17 -1.37 0.08 0.00 -0.57 0.00 0.00 43.02 40.99 2rlo s PHE 104 CO 0.11 0.35 0.05 -2.00 -0.10 0.00 0.00 175.22 173.63 2rlo s GLU 105 N -3.72 0.82 0.07 0.44 -6.30 0.01 -1.92 118.70 108.11 2rlo s GLU 105 Ca 0.33 -0.76 -0.35 0.00 -2.50 0.00 0.00 54.97 51.69 2rlo s GLU 105 Cb 0.06 -2.13 -0.15 0.00 0.00 0.00 0.00 34.13 31.91 2rlo s GLU 105 CO 0.15 -0.77 1.55 0.00 0.02 0.00 0.00 175.26 176.22 2rlo n ALA 106 N 4.92 0.41 0.28 6.30 0.00 -1.25 -2.19 120.51 128.98 2rlo n ALA 106 Ca -0.07 0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.93 2rlo n ALA 106 Cb 0.45 -2.27 0.78 0.00 0.00 0.00 0.00 19.45 18.40 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 6.00 1.73 -2.44 0.00 0.00 -1.93 -3.43 119.26 119.19 2rlo h ALA 107 Ca -0.46 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 2rlo h ALA 107 Cb 1.29 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 2rlo h ALA 107 CO 0.87 0.01 -0.77 -1.12 0.00 0.00 0.00 179.25 178.24 2rlo s SER 108 N -6.58 3.21 0.13 0.00 0.01 -1.26 -5.05 113.70 104.15 2rlo s SER 108 Ca -0.05 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.09 2rlo s SER 108 Cb 0.16 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 2rlo s SER 108 CO 0.61 -0.01 1.58 -0.26 0.41 0.00 0.00 173.24 175.57 2rlo h PHE 109 N 2.59 0.80 -0.04 2.43 -1.00 -1.99 -2.70 116.94 117.03 2rlo h PHE 109 Ca -0.41 -0.14 -0.17 0.00 2.81 0.00 0.00 57.97 60.07 2rlo h PHE 109 Cb 1.24 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 2rlo h PHE 109 CO 0.75 0.80 -0.71 1.49 -1.61 0.00 0.00 178.31 179.04 2rlo h GLU 110 N 0.57 0.23 -0.87 1.51 4.81 -1.96 -3.19 114.58 115.67 2rlo h GLU 110 Ca 0.12 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2rlo h GLU 110 Cb 0.48 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2rlo h GLU 110 CO 0.02 0.84 0.51 1.49 -0.73 0.00 0.00 179.01 181.14 2rlo h GLU 111 N 0.15 1.19 -0.21 1.92 4.81 -1.92 -2.25 114.58 118.28 2rlo h GLU 111 Ca -0.02 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2rlo h GLU 111 Cb 1.26 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 2rlo h GLU 111 CO 0.11 0.85 -0.00 -0.09 -0.73 0.00 0.00 179.01 179.14 2rlo h ARG 112 N 1.21 0.06 -0.23 1.92 2.43 -1.46 -0.84 114.38 117.47 2rlo h ARG 112 Ca 0.31 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2rlo h ARG 112 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2rlo h ARG 112 CO -0.06 0.04 0.12 0.22 -1.51 0.00 0.00 179.97 178.78 2rlo h ASP 113 N 0.06 0.30 -0.17 -3.80 1.82 -1.60 -1.13 116.42 111.90 2rlo h ASP 113 Ca 0.10 -0.12 0.05 0.00 -0.39 0.00 0.00 57.03 56.67 2rlo h ASP 113 Cb 0.12 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.00 2rlo h ASP 113 CO -0.17 0.34 -0.19 0.00 -1.61 0.00 0.00 179.24 177.61 2rlo h ALA 114 N 0.98 -0.09 0.02 -0.78 0.00 -1.10 0.21 119.26 118.49 2rlo h ALA 114 Ca 0.08 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2rlo h ALA 114 Cb 0.11 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2rlo h ALA 114 CO -0.01 -0.63 -0.15 -1.49 0.00 0.00 0.00 179.25 176.97 2rlo h TRP 115 N -0.22 -0.39 -0.82 0.00 4.06 -1.03 1.07 115.95 118.62 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 0.39 0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.66 2rlo h TRP 115 CO -0.32 -0.22 0.53 0.28 -3.56 0.00 0.00 178.44 175.15 2rlo h VAL 116 N -0.26 0.90 0.00 1.49 2.07 -0.70 0.15 116.25 119.90 2rlo h VAL 116 Ca 0.04 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 2rlo h VAL 116 Cb 0.31 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2rlo h VAL 116 CO -0.13 0.13 -0.88 1.56 0.02 0.00 0.00 177.57 178.26 2rlo h GLN 117 N 0.69 0.00 -0.09 1.57 1.08 0.41 -2.47 115.11 116.29 2rlo h GLN 117 Ca 0.39 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 2rlo h GLN 117 Cb 0.57 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2rlo h GLN 117 CO -0.16 0.88 -0.02 0.00 -0.95 0.00 0.00 178.83 178.59 2rlo h ALA 118 N 1.12 0.12 -0.01 3.87 0.00 0.36 0.59 119.26 125.31 2rlo h ALA 118 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2rlo h ALA 118 Cb 1.62 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2rlo h ALA 118 CO 0.11 -0.16 0.00 0.82 0.00 0.00 0.00 179.25 180.03 2rlo h ILE 119 N -0.16 1.15 -0.20 0.00 5.03 -0.90 -0.72 117.51 121.71 2rlo h ILE 119 Ca 0.02 -0.45 -0.05 0.00 -0.12 0.00 0.00 64.86 64.26 2rlo h ILE 119 Cb 0.41 1.44 -0.01 0.00 -3.03 0.00 0.00 36.82 35.63 2rlo h ILE 119 CO 0.01 0.12 -0.08 -0.33 -0.68 0.00 0.00 178.15 177.18 2rlo h GLU 120 N -0.17 0.32 -0.39 2.37 5.08 -1.45 -1.55 114.58 118.79 2rlo h GLU 120 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2rlo h GLU 120 Cb 0.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2rlo h GLU 120 CO -0.00 0.42 0.08 0.77 -1.00 0.00 0.00 179.01 179.27 2rlo h SER 121 N 0.30 0.61 0.14 1.42 0.02 0.56 0.17 113.55 116.77 2rlo h SER 121 Ca 0.06 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2rlo h SER 121 Cb 0.35 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2rlo h SER 121 CO 0.02 0.70 -0.36 1.56 -1.14 0.00 0.00 176.83 177.61 2rlo h GLN 122 N 0.49 0.31 -0.07 3.45 7.50 -0.77 -1.81 115.11 124.21 2rlo h GLN 122 Ca 0.12 -0.13 -0.21 0.00 0.50 0.00 0.00 58.65 58.93 2rlo h GLN 122 Cb 0.34 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2rlo h GLN 122 CO 0.00 0.63 -0.81 0.82 -1.50 0.00 0.00 178.83 177.98 2rlo h ILE 123 N 0.26 1.36 -0.23 2.54 2.04 -1.03 -1.75 117.51 120.70 2rlo h ILE 123 Ca 0.03 -2.18 -0.12 0.00 1.00 0.00 0.00 64.86 63.59 2rlo h ILE 123 Cb 0.76 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2rlo h ILE 123 CO 0.06 0.66 -0.36 -0.07 0.00 0.00 0.00 178.15 178.45 2rlo h LEU 124 N 0.33 0.52 -0.22 1.44 3.38 -0.47 0.42 115.31 120.71 2rlo h LEU 124 Ca -0.05 -0.21 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 2rlo h LEU 124 Cb 1.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2rlo h LEU 124 CO 0.15 0.83 -0.92 0.00 0.09 0.00 0.00 178.44 178.59 2rlo h ALA 125 N 1.20 0.45 0.00 1.53 0.00 -1.31 -2.86 119.26 118.27 2rlo h ALA 125 Ca 0.05 -0.74 -0.19 0.00 0.00 0.00 0.00 54.91 54.03 2rlo h ALA 125 Cb 0.82 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2rlo h ALA 125 CO 0.07 0.90 -0.90 1.03 0.00 0.00 0.00 179.25 180.35 2rlo h SER 126 N 0.13 0.03 -0.24 0.00 0.87 -1.17 -3.28 113.55 109.89 2rlo h SER 126 Ca -0.06 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 2rlo h SER 126 Cb 1.56 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.51 2rlo h SER 126 CO 0.15 0.91 -0.23 -0.07 -0.53 0.00 0.00 176.83 177.06 2rlo h LEU 127 N 0.01 0.62 0.00 2.23 3.38 -0.93 -3.50 115.31 117.12 2rlo h LEU 127 Ca -0.01 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2rlo h LEU 127 Cb 1.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2rlo h LEU 127 CO 0.12 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.61