#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 3.62 -0.09 7.54 0.00 -1.26 -5.00 121.76 126.56 2rlo s ALA 2 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2rlo s ALA 2 Cb 0.00 -2.55 -0.00 0.00 0.00 0.00 0.00 23.12 20.56 2rlo s ALA 2 CO 0.00 0.43 -0.23 0.42 0.00 0.00 0.00 175.76 176.38 2rlo s ILE 3 N -1.17 2.14 0.03 0.00 1.09 -1.26 -4.86 121.20 117.16 2rlo s ILE 3 Ca 0.29 -1.01 -0.34 0.00 -1.10 0.00 0.00 60.65 58.50 2rlo s ILE 3 Cb -0.18 -1.81 -0.12 0.00 -1.06 0.00 0.00 42.46 39.29 2rlo s ILE 3 CO 0.18 0.56 1.77 -2.65 -0.10 0.00 0.00 174.94 174.70 2rlo n PRO 4 N 3.34 2.25 0.08 2.79 -0.02 -1.26 -1.57 135.00 140.61 2rlo n PRO 4 Ca -0.18 0.82 -0.18 0.00 -2.02 0.00 0.00 63.50 61.93 2rlo n PRO 4 Cb 0.53 -2.64 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 2rlo n PRO 4 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2rlo h ILE 5 N 4.71 1.24 -0.34 4.25 1.08 0.33 -3.46 117.51 125.31 2rlo h ILE 5 Ca -0.47 -2.83 0.24 0.00 -0.39 0.00 0.00 64.86 61.41 2rlo h ILE 5 Cb 1.26 2.84 -0.22 0.00 -3.07 0.00 0.00 36.82 37.63 2rlo h ILE 5 CO 0.93 0.84 0.19 -1.59 -0.69 0.00 0.00 178.15 177.82 2rlo s LYS 6 N -2.62 0.17 -0.27 2.37 0.00 -0.91 -4.96 119.74 113.52 2rlo s LYS 6 Ca -0.08 0.32 0.03 0.00 0.00 0.00 0.00 55.97 56.23 2rlo s LYS 6 Cb 0.06 0.18 0.07 0.00 0.00 0.00 0.00 37.83 38.14 2rlo s LYS 6 CO 0.87 -0.16 -0.07 -1.14 0.00 0.00 0.00 175.35 174.85 2rlo s GLN 7 N 2.85 1.96 0.19 1.78 -0.44 -1.26 0.07 119.66 124.82 2rlo s GLN 7 Ca -0.02 -1.37 -0.05 0.00 -2.50 0.00 0.00 55.36 51.42 2rlo s GLN 7 Cb -0.09 -2.87 0.02 0.00 -1.64 0.00 0.00 33.01 28.43 2rlo s GLN 7 CO -0.11 -0.65 0.35 0.43 0.50 0.00 0.00 175.29 175.81 2rlo n SER 8 N 4.45 -1.01 -4.81 6.67 7.64 0.47 -4.96 113.62 122.08 2rlo n SER 8 Ca -0.10 -1.87 -0.36 0.00 1.01 0.00 0.00 58.87 57.55 2rlo n SER 8 Cb 0.42 1.72 -0.06 0.00 -1.01 0.00 0.00 64.21 65.29 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rlo s PHE 9 N -4.97 3.63 0.12 1.43 0.08 -1.26 -0.05 117.98 116.96 2rlo s PHE 9 Ca 0.11 1.44 0.02 0.00 0.12 0.00 0.00 56.93 58.62 2rlo s PHE 9 Cb -0.02 -2.67 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2rlo s PHE 9 CO 0.08 0.30 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.93 2rlo s LEU 10 N -2.06 2.42 -0.04 -0.37 1.02 -0.77 -4.19 118.68 114.69 2rlo s LEU 10 Ca 0.45 -1.04 -0.08 0.00 0.02 0.00 0.00 54.13 53.48 2rlo s LEU 10 Cb -0.16 -0.08 -0.05 0.00 0.02 0.00 0.00 46.19 45.92 2rlo s LEU 10 CO 0.21 -0.48 0.25 -0.22 0.02 0.00 0.00 176.35 176.13 2rlo s LEU 11 N -3.08 4.40 -0.23 1.79 2.96 -0.89 0.16 118.68 123.80 2rlo s LEU 11 Ca 0.15 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 54.65 2rlo s LEU 11 Cb 0.05 -2.44 0.06 0.00 0.50 0.00 0.00 46.19 44.37 2rlo s LEU 11 CO -0.03 0.32 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.57 2rlo s LYS 12 N -1.36 1.19 0.59 1.98 2.47 -0.35 -1.15 119.74 123.10 2rlo s LYS 12 Ca 0.22 -0.79 -0.20 0.00 -1.56 0.00 0.00 55.97 53.64 2rlo s LYS 12 Cb -0.13 -2.38 -0.03 0.00 -1.46 0.00 0.00 37.83 33.82 2rlo s LYS 12 CO 0.11 -0.64 1.33 -0.98 0.16 0.00 0.00 175.35 175.32 2rlo s ARG 13 N 1.58 2.90 -0.29 4.03 1.70 -1.25 -1.43 118.95 126.19 2rlo s ARG 13 Ca -0.03 2.15 -0.03 0.00 -0.47 0.00 0.00 55.73 57.35 2rlo s ARG 13 Cb -0.18 -2.08 0.10 0.00 -0.57 0.00 0.00 34.95 32.22 2rlo s ARG 13 CO -0.08 -1.35 0.16 0.45 -1.08 0.00 0.00 175.30 173.39 2rlo s SER 14 N -1.15 3.21 0.00 -2.89 0.15 0.16 -4.87 113.70 108.31 2rlo s SER 14 Ca 0.76 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2rlo s SER 14 Cb -0.39 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2rlo s SER 14 CO 0.44 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2rlo n GLY 15 N 5.26 0.32 2.06 9.45 0.00 -1.26 -4.49 105.19 116.53 2rlo n GLY 15 Ca -0.05 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 2rlo n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rlo n ASN 16 N 0.00 0.89 0.07 1.61 4.13 -1.24 -5.04 115.26 115.68 2rlo n ASN 16 Ca 0.00 -1.69 -0.22 0.00 1.68 0.00 0.00 54.58 54.34 2rlo n ASN 16 Cb 0.00 -0.29 -0.15 0.00 -1.54 0.00 0.00 39.78 37.80 2rlo n ASN 16 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2rlo h SER 17 N -0.16 0.57 -0.65 6.41 0.87 -2.00 -3.32 113.55 115.27 2rlo h SER 17 Ca -0.16 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 59.45 2rlo h SER 17 Cb 0.65 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 2rlo h SER 17 CO 0.20 1.61 0.29 -0.07 -0.53 0.00 0.00 176.83 178.33 2rlo h LEU 18 N -0.13 0.88 -7.34 2.23 4.07 -2.05 -3.32 115.31 109.64 2rlo h LEU 18 Ca -0.25 -0.15 -0.69 0.00 0.08 0.00 0.00 57.88 56.86 2rlo h LEU 18 Cb 1.90 -0.23 -0.36 0.00 1.08 0.00 0.00 40.66 43.05 2rlo h LEU 18 CO 0.16 0.78 -0.20 0.20 -1.08 0.00 0.00 178.44 178.31 2rlo s ASN 19 N -6.11 5.73 0.61 -0.43 0.01 -1.26 -5.08 114.94 108.41 2rlo s ASN 19 Ca -0.13 -3.57 -0.13 0.00 -0.71 0.00 0.00 52.86 48.33 2rlo s ASN 19 Cb 0.14 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 2rlo s ASN 19 CO 0.80 -0.21 1.03 -0.54 -1.51 0.00 0.00 177.10 176.67 2rlo s LYS 20 N -1.11 3.51 -0.30 -0.60 1.02 -1.25 -3.71 119.74 117.31 2rlo s LYS 20 Ca 0.25 0.90 -0.03 0.00 0.02 0.00 0.00 55.97 57.12 2rlo s LYS 20 Cb -0.09 -2.07 0.19 0.00 -0.52 0.00 0.00 37.83 35.34 2rlo s LYS 20 CO -0.11 -0.64 0.83 -2.00 -0.92 0.00 0.00 175.35 172.51 2rlo s GLU 21 N -4.73 0.35 0.05 1.68 2.12 -1.26 -4.96 118.70 111.95 2rlo s GLU 21 Ca 0.58 0.30 -0.11 0.00 0.36 0.00 0.00 54.97 56.10 2rlo s GLU 21 Cb -0.12 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.36 2rlo s GLU 21 CO 0.46 -0.64 0.38 -1.58 -0.54 0.00 0.00 175.26 173.34 2rlo s TRP 22 N 2.83 3.62 0.23 5.30 0.52 -1.26 0.41 118.94 130.59 2rlo s TRP 22 Ca 0.19 0.81 0.11 0.00 0.02 0.00 0.00 56.10 57.23 2rlo s TRP 22 Cb -0.05 -2.17 -0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2rlo s TRP 22 CO -0.24 0.57 -0.18 0.15 0.02 0.00 0.00 176.95 177.27 2rlo s LYS 23 N -1.66 1.74 0.14 4.98 1.02 -0.52 -4.71 119.74 120.73 2rlo s LYS 23 Ca 0.30 -1.58 -0.31 0.00 0.02 0.00 0.00 55.97 54.39 2rlo s LYS 23 Cb -0.14 -1.89 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 2rlo s LYS 23 CO 0.16 0.37 1.66 0.15 -0.92 0.00 0.00 175.35 176.77 2rlo s LYS 24 N -3.14 4.18 0.28 1.68 -0.14 -1.26 -1.21 119.74 120.13 2rlo s LYS 24 Ca 0.26 2.43 0.02 0.00 -1.36 0.00 0.00 55.97 57.32 2rlo s LYS 24 Cb -0.07 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 2rlo s LYS 24 CO 0.14 -0.70 0.09 1.63 -0.76 0.00 0.00 175.35 175.74 2rlo n LYS 25 N 4.70 0.76 -3.65 1.68 4.76 0.43 -4.55 118.16 122.29 2rlo n LYS 25 Ca 0.15 -2.29 -0.23 0.00 -2.87 0.00 0.00 58.31 53.07 2rlo n LYS 25 Cb 0.38 1.17 -0.17 0.00 -1.84 0.00 0.00 35.03 34.57 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2rlo s TYR 26 N -2.51 0.17 0.11 2.13 6.14 -0.68 -1.85 117.35 120.87 2rlo s TYR 26 Ca 0.12 -0.06 0.11 0.00 0.64 0.00 0.00 57.07 57.88 2rlo s TYR 26 Cb 0.01 -0.61 -0.04 0.00 0.42 0.00 0.00 41.96 41.74 2rlo s TYR 26 CO 0.09 -0.36 -0.27 0.08 0.64 0.00 0.00 175.55 175.73 2rlo s VAL 27 N 2.14 2.22 -0.17 3.14 1.01 0.93 0.26 120.40 129.93 2rlo s VAL 27 Ca 0.03 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 2rlo s VAL 27 Cb -0.14 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.35 2rlo s VAL 27 CO -0.06 0.14 0.07 -0.89 0.00 0.00 0.00 175.10 174.36 2rlo s THR 28 N -1.01 0.06 -0.37 3.92 2.01 0.12 -0.39 115.64 119.98 2rlo s THR 28 Ca 0.13 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 2rlo s THR 28 Cb -0.10 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.76 2rlo s THR 28 CO 0.05 -0.23 0.73 -0.22 -0.69 0.00 0.00 174.62 174.26 2rlo s LEU 29 N 2.07 4.20 0.15 4.42 1.98 0.11 -2.30 118.68 129.31 2rlo s LEU 29 Ca 0.02 0.22 0.03 0.00 -2.89 0.00 0.00 54.13 51.51 2rlo s LEU 29 Cb -0.16 -2.93 -0.04 0.00 0.66 0.00 0.00 46.19 43.73 2rlo s LEU 29 CO -0.08 -0.70 0.24 -0.94 -1.89 0.00 0.00 176.35 172.98 2rlo s SER 30 N 1.85 6.11 0.00 3.68 1.04 -0.90 0.26 113.70 125.75 2rlo s SER 30 Ca 0.28 0.09 0.24 0.00 0.48 0.00 0.00 55.95 57.04 2rlo s SER 30 Cb -0.14 -1.78 1.37 0.00 0.10 0.00 0.00 66.02 65.58 2rlo s SER 30 CO 0.17 0.06 1.78 -0.24 0.98 0.00 0.00 173.24 175.99 2rlo n SER 31 N -0.48 0.00 -1.53 7.02 2.88 -0.61 -3.16 113.62 117.75 2rlo n SER 31 Ca -0.07 -0.60 -0.07 0.00 -1.33 0.00 0.00 58.87 56.80 2rlo n SER 31 Cb 0.54 -0.06 0.15 0.00 -0.75 0.00 0.00 64.21 64.09 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 -1.06 3.51 -3.76 -3.46 5.15 -1.26 -4.85 115.26 109.53 2rlo n ASN 32 Ca 0.16 -2.75 -0.26 0.00 -0.60 0.00 0.00 54.58 51.14 2rlo n ASN 32 Cb 0.10 -0.66 0.04 0.00 -0.53 0.00 0.00 39.78 38.74 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 -0.12 -0.45 2.73 8.20 0.00 -1.19 -4.95 105.19 109.42 2rlo n GLY 33 Ca 0.26 0.18 -0.19 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 -3.40 0.14 -0.28 1.61 2.19 -1.25 -1.68 117.98 115.31 2rlo s PHE 34 Ca 0.44 0.15 -0.07 0.00 0.33 0.00 0.00 56.93 57.77 2rlo s PHE 34 Cb -0.21 -0.43 -0.01 0.00 -1.31 0.00 0.00 43.02 41.06 2rlo s PHE 34 CO 0.80 -0.17 0.09 -1.17 1.83 0.00 0.00 175.22 176.60 2rlo s LEU 35 N 1.71 3.72 -0.00 6.12 2.96 -0.94 -2.11 118.68 130.14 2rlo s LEU 35 Ca -0.01 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2rlo s LEU 35 Cb -0.12 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2rlo s LEU 35 CO -0.03 -0.13 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.94 2rlo s LEU 36 N 1.56 2.63 -0.10 -0.68 1.02 -0.97 -0.02 118.68 122.12 2rlo s LEU 36 Ca 0.04 -0.33 -0.04 0.00 0.02 0.00 0.00 54.13 53.83 2rlo s LEU 36 Cb -0.16 -1.53 0.05 0.00 0.02 0.00 0.00 46.19 44.56 2rlo s LEU 36 CO 0.03 0.30 0.21 -0.72 0.02 0.00 0.00 176.35 176.20 2rlo s TYR 37 N -0.82 -0.29 0.27 0.29 1.13 0.97 0.14 117.35 119.03 2rlo s TYR 37 Ca 0.13 0.74 0.10 0.00 -1.41 0.00 0.00 57.07 56.63 2rlo s TYR 37 Cb -0.11 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 2rlo s TYR 37 CO 0.03 -0.26 -0.02 -1.01 -2.51 0.00 0.00 175.55 171.78 2rlo s HIS 38 N 1.73 2.67 0.21 -3.49 3.76 0.14 -1.76 115.29 118.55 2rlo s HIS 38 Ca -0.04 -0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 54.51 2rlo s HIS 38 Cb -0.11 -1.18 0.25 0.00 1.11 0.00 0.00 32.58 32.65 2rlo s HIS 38 CO -0.08 0.63 1.63 -1.35 -0.85 0.00 0.00 174.74 174.72 2rlo h PRO 39 N 1.92 0.01 0.00 8.40 0.11 -1.92 -1.80 132.00 138.72 2rlo h PRO 39 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2rlo h PRO 39 Cb 1.25 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2rlo h PRO 39 CO 0.60 0.00 0.04 0.45 -0.21 0.00 0.00 178.00 178.89 2rlo n SER 40 N -5.43 -0.62 -0.23 -2.05 2.88 -1.26 -3.97 113.62 102.94 2rlo n SER 40 Ca 0.08 -1.52 -0.06 0.00 -1.33 0.00 0.00 58.87 56.04 2rlo n SER 40 Cb 0.34 1.06 0.04 0.00 -0.75 0.00 0.00 64.21 64.90 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 1.31 1.19 -0.56 2.46 5.03 -1.89 -1.35 117.51 123.70 2rlo h ILE 41 Ca -0.10 -0.43 0.16 0.00 -0.12 0.00 0.00 64.86 64.38 2rlo h ILE 41 Cb 0.38 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 34.46 2rlo h ILE 41 CO 0.13 0.20 0.53 0.78 -0.68 0.00 0.00 178.15 179.10 2rlo h ASN 42 N 0.87 0.00 0.06 1.72 2.35 -1.98 0.38 115.58 118.98 2rlo h ASN 42 Ca 0.23 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.72 2rlo h ASN 42 Cb -0.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.38 2rlo h ASN 42 CO -0.04 0.00 -1.05 0.44 -1.65 0.00 0.00 177.43 175.13 2rlo h ASP 43 N 0.00 0.81 0.06 5.81 5.19 -1.65 -1.87 116.42 124.78 2rlo h ASP 43 Ca 0.27 -0.79 -0.00 0.00 -0.62 0.00 0.00 57.03 55.88 2rlo h ASP 43 Cb 1.32 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2rlo h ASP 43 CO -0.00 1.51 -0.03 0.22 -3.12 0.00 0.00 179.24 177.82 2rlo h TYR 44 N 0.21 -0.08 0.54 4.55 3.20 -0.36 1.02 116.97 126.06 2rlo h TYR 44 Ca -0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2rlo h TYR 44 Cb 1.73 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 2rlo h TYR 44 CO 0.12 0.43 -0.42 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.63 0.00 0.00 1.81 2.04 -0.56 -2.98 117.51 117.19 2rlo h ILE 45 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2rlo h ILE 45 Cb 0.54 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2rlo h ILE 45 CO 0.01 0.00 -0.34 0.45 0.00 0.00 0.00 178.15 178.27 2rlo h HIS 46 N -0.92 0.00 -3.50 1.37 3.86 -1.46 -3.49 115.15 111.02 2rlo h HIS 46 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 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 -0.15 0.34 -0.04 0.43 0.86 0.00 0.00 177.93 179.37 2rlo n SER 47 N -3.41 -3.25 -1.60 2.45 7.64 0.32 -5.03 113.62 110.74 2rlo n SER 47 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2rlo n SER 47 Cb 0.53 -1.93 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 2rlo n SER 47 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2rlo n THR 48 N -0.93 0.00 -0.38 0.44 -2.24 0.62 -4.93 114.28 106.86 2rlo n THR 48 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2rlo n THR 48 Cb 0.37 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 2rlo n THR 48 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2rlo n HIS 49 N 0.00 -0.17 -2.67 4.78 -0.00 -1.26 -4.91 115.22 110.98 2rlo n HIS 49 Ca 0.00 1.19 -0.05 0.00 -0.00 0.00 0.00 57.72 58.86 2rlo n HIS 49 Cb 0.00 -0.73 -0.04 0.00 -0.00 0.00 0.00 29.99 29.22 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2rlo n GLY 50 N -1.36 -4.58 3.74 1.57 0.00 -1.26 -4.93 105.19 98.37 2rlo n GLY 50 Ca 0.06 1.53 -0.40 0.00 0.00 0.00 0.00 46.02 47.21 2rlo n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rlo s LYS 51 N -0.67 4.77 -0.04 1.61 2.20 -0.72 -4.88 119.74 122.00 2rlo s LYS 51 Ca -0.24 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.92 2rlo s LYS 51 Cb 0.02 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2rlo s LYS 51 CO 0.70 0.35 -0.11 -1.83 -0.36 0.00 0.00 175.35 174.11 2rlo s GLU 52 N -0.72 1.29 -0.17 4.03 -1.05 -1.26 -0.02 118.70 120.80 2rlo s GLU 52 Ca 0.44 -0.35 0.01 0.00 -0.15 0.00 0.00 54.97 54.91 2rlo s GLU 52 Cb -0.26 -1.14 0.01 0.00 -0.44 0.00 0.00 34.13 32.30 2rlo s GLU 52 CO 0.32 0.08 -0.18 1.41 0.95 0.00 0.00 175.26 177.84 2rlo s MET 53 N 0.42 3.09 0.24 -4.83 1.75 0.97 -4.97 119.30 115.96 2rlo s MET 53 Ca -0.08 -0.80 -0.31 0.00 -1.25 0.00 0.00 55.69 53.25 2rlo s MET 53 Cb -0.12 -2.59 -0.12 0.00 2.84 0.00 0.00 34.83 34.84 2rlo s MET 53 CO 0.02 -0.11 1.67 -3.47 -0.65 0.00 0.00 175.02 172.48 2rlo n ASP 54 N 4.37 3.92 -1.70 1.11 -0.08 -1.26 -2.21 116.55 120.71 2rlo n ASP 54 Ca -0.20 1.09 -0.04 0.00 -1.51 0.00 0.00 54.79 54.14 2rlo n ASP 54 Cb 0.51 -1.58 0.24 0.00 2.34 0.00 0.00 41.12 42.63 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2rlo n LEU 55 N 3.27 5.08 -0.07 -2.67 4.77 -0.68 -4.32 117.00 122.38 2rlo n LEU 55 Ca 0.13 -2.63 -0.07 0.00 -0.03 0.00 0.00 56.01 53.41 2rlo n LEU 55 Cb 0.35 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2rlo n LEU 55 CO 0.64 0.68 -0.03 -0.07 -1.33 0.00 0.00 177.39 177.28 2rlo h LEU 56 N 2.25 0.00 -4.82 2.23 3.38 -1.90 -3.29 115.31 113.16 2rlo h LEU 56 Ca 0.19 -0.31 -0.58 0.00 0.09 0.00 0.00 57.88 57.26 2rlo h LEU 56 Cb 1.93 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 42.26 2rlo h LEU 56 CO 0.55 0.79 -0.72 -1.14 0.09 0.00 0.00 178.44 178.01 2rlo n ARG 57 N -4.66 3.25 -4.03 1.13 3.00 -1.26 -4.73 116.66 109.36 2rlo n ARG 57 Ca -0.08 -4.57 -0.22 0.00 -0.00 0.00 0.00 57.85 52.98 2rlo n ARG 57 Cb 0.25 -2.20 -0.04 0.00 0.00 0.00 0.00 32.46 30.46 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 -5.05 3.97 0.23 5.15 -4.23 -1.26 -3.66 115.64 110.80 2rlo s THR 58 Ca 0.48 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2rlo s THR 58 Cb 0.36 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 2rlo s THR 58 CO -0.16 -0.28 -0.01 -0.89 -0.54 0.00 0.00 174.62 172.73 2rlo s THR 59 N -2.22 1.06 -0.06 3.99 2.01 0.54 -4.94 115.64 116.02 2rlo s THR 59 Ca 0.36 -2.04 0.02 0.00 0.31 0.00 0.00 61.69 60.34 2rlo s THR 59 Cb -0.07 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.12 2rlo s THR 59 CO 0.25 -0.33 -0.11 0.68 -0.69 0.00 0.00 174.62 174.42 2rlo s VAL 60 N -3.40 1.02 0.19 3.82 -7.23 -1.26 -0.90 120.40 112.64 2rlo s VAL 60 Ca 0.28 -0.43 -0.16 0.00 -1.81 0.00 0.00 61.98 59.86 2rlo s VAL 60 Cb 0.06 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 36.08 2rlo s VAL 60 CO 0.09 0.33 0.48 -1.59 -0.31 0.00 0.00 175.10 174.09 2rlo s LYS 61 N 0.59 1.34 -0.03 4.82 -2.85 -0.92 -4.95 119.74 117.74 2rlo s LYS 61 Ca -0.12 -0.92 0.07 0.00 -1.00 0.00 0.00 55.97 54.00 2rlo s LYS 61 Cb -0.14 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 2rlo s LYS 61 CO 0.03 -0.55 -0.24 0.08 0.10 0.00 0.00 175.35 174.76 2rlo s VAL 62 N -3.89 1.90 0.16 1.79 1.01 -1.26 0.84 120.40 120.95 2rlo s VAL 62 Ca 0.11 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 2rlo s VAL 62 Cb -0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 2rlo s VAL 62 CO -0.02 0.54 0.70 -2.16 0.00 0.00 0.00 175.10 174.15 2rlo s PRO 63 N -0.48 4.34 0.00 2.72 0.04 -1.26 -4.26 135.00 136.10 2rlo s PRO 63 Ca 0.07 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2rlo s PRO 63 Cb -0.10 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2rlo s PRO 63 CO -0.00 0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.97 2rlo n GLY 64 N 1.27 1.91 3.25 0.56 0.00 -1.26 -4.88 105.19 106.04 2rlo n GLY 64 Ca -0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 1.19 0.83 1.61 0.00 -1.26 -5.16 119.74 116.95 2rlo s LYS 65 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 55.97 54.25 2rlo s LYS 65 Cb 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 37.83 37.73 2rlo s LYS 65 CO 0.00 -0.21 1.09 1.03 0.00 0.00 0.00 175.35 177.26 2rlo s ARG 66 N -3.98 1.83 -0.06 1.78 0.52 -1.26 -4.40 118.95 113.37 2rlo s ARG 66 Ca 0.29 0.90 -0.32 0.00 -0.52 0.00 0.00 55.73 56.08 2rlo s ARG 66 Cb 0.07 -1.87 -0.10 0.00 0.52 0.00 0.00 34.95 33.57 2rlo s ARG 66 CO 0.07 -1.86 1.96 -0.35 0.02 0.00 0.00 175.30 175.14 2rlo n PRO 67 N -3.64 2.38 -1.60 3.54 -0.04 -1.26 -4.90 135.00 129.48 2rlo n PRO 67 Ca 0.08 0.85 -0.45 0.00 -0.04 0.00 0.00 63.50 63.94 2rlo n PRO 67 Cb 0.55 -2.83 -0.02 0.00 -0.04 0.00 0.00 33.50 31.16 2rlo n PRO 67 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2rlo n PRO 68 N 7.25 1.44 -1.88 0.54 -0.02 -1.26 -4.92 135.00 136.14 2rlo n PRO 68 Ca 0.23 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 2rlo n PRO 68 Cb 0.35 -1.91 0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.48 2.80 -0.08 -0.52 1.81 -1.26 -4.97 118.95 115.24 2rlo s ARG 69 Ca 0.59 1.77 -0.26 0.00 -1.72 0.00 0.00 55.73 56.11 2rlo s ARG 69 Cb -0.70 -1.91 -0.22 0.00 -0.45 0.00 0.00 34.95 31.67 2rlo s ARG 69 CO 0.59 -1.33 0.98 0.00 -0.68 0.00 0.00 175.30 174.87 2rlo h ALA 70 N 0.58 -0.02 0.01 2.13 0.00 -2.03 -3.39 119.26 116.54 2rlo h ALA 70 Ca -0.50 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 53.83 2rlo h ALA 70 Cb 1.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2rlo h ALA 70 CO 0.54 -0.14 -1.25 0.82 0.00 0.00 0.00 179.25 179.22 2rlo h ILE 71 N -0.76 0.94 -5.32 0.00 5.03 -2.04 -3.50 117.51 111.86 2rlo h ILE 71 Ca -0.00 -2.20 -0.02 0.00 -0.12 0.00 0.00 64.86 62.52 2rlo h ILE 71 Cb 0.72 2.29 0.00 0.00 -3.03 0.00 0.00 36.82 36.80 2rlo h ILE 71 CO 0.00 0.36 -0.78 -1.20 -0.68 0.00 0.00 178.15 175.86 2rlo n SER 72 N -4.38 -7.85 -1.28 1.72 7.64 -1.26 -4.89 113.62 103.32 2rlo n SER 72 Ca -0.31 0.92 0.05 0.00 1.01 0.00 0.00 58.87 60.54 2rlo n SER 72 Cb 0.70 -5.07 0.25 0.00 -1.01 0.00 0.00 64.21 59.08 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 0.23 3.17 -2.86 -0.43 0.00 -1.26 -4.95 120.51 114.41 2rlo n ALA 73 Ca 0.05 -1.14 -0.08 0.00 0.00 0.00 0.00 53.44 52.27 2rlo n ALA 73 Cb 0.26 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.48 -2.59 0.00 -0.00 -1.26 -5.04 117.46 105.61 2rlo n PHE 74 Ca 0.17 1.40 -0.18 0.00 -0.00 0.00 0.00 57.45 58.85 2rlo n PHE 74 Cb 0.75 -4.08 0.09 0.00 -0.00 0.00 0.00 39.48 36.25 2rlo n PHE 74 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2rlo n GLY 75 N -0.32 0.80 3.20 7.13 0.00 -1.26 -5.08 105.19 109.66 2rlo n GLY 75 Ca 0.12 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2rlo n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rlo n PRO 76 N -2.43 -2.12 -3.70 1.61 -0.02 -1.26 -5.05 135.00 122.02 2rlo n PRO 76 Ca 0.13 -0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 60.86 2rlo n PRO 76 Cb 0.47 -1.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2rlo s SER 77 N -1.99 -0.45 0.19 2.55 1.04 -1.26 -5.04 113.70 108.74 2rlo s SER 77 Ca 0.52 0.75 0.06 0.00 0.48 0.00 0.00 55.95 57.76 2rlo s SER 77 Cb -0.10 0.79 0.07 0.00 0.10 0.00 0.00 66.02 66.88 2rlo s SER 77 CO 0.56 -0.26 1.44 0.00 0.98 0.00 0.00 173.24 175.96 2rlo h ALA 78 N 4.85 0.64 -3.23 5.32 0.00 -2.05 -3.38 119.26 121.41 2rlo h ALA 78 Ca -0.28 -0.70 -0.66 0.00 0.00 0.00 0.00 54.91 53.26 2rlo h ALA 78 Cb 1.17 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 18.48 2rlo h ALA 78 CO 0.27 0.93 -0.48 0.45 0.00 0.00 0.00 179.25 180.42 2rlo s SER 79 N -6.85 4.84 -0.94 0.00 0.15 -1.26 -4.98 113.70 104.66 2rlo s SER 79 Ca -0.02 -3.10 -0.04 0.00 0.70 0.00 0.00 55.95 53.50 2rlo s SER 79 Cb 0.11 -1.74 0.15 0.00 -1.71 0.00 0.00 66.02 62.83 2rlo s SER 79 CO 0.80 -0.26 2.41 0.61 1.20 0.00 0.00 173.24 178.00 2rlo n GLY 80 N 3.07 5.08 3.04 9.45 0.00 -1.26 -4.71 105.19 119.86 2rlo n GLY 80 Ca 0.09 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 2rlo n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rlo s SER 81 N -0.01 -0.52 0.61 1.61 0.15 -1.26 -5.14 113.70 109.13 2rlo s SER 81 Ca 0.53 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2rlo s SER 81 Cb 0.28 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 2rlo s SER 81 CO -0.17 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.05 2rlo n ALA 82 N 4.44 -2.24 -0.70 5.45 0.00 -1.26 -5.03 120.51 121.17 2rlo n ALA 82 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2rlo n ALA 82 Cb 0.52 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.54 0.14 2.73 0.00 0.00 -1.26 -5.05 105.19 99.22 2rlo n GLY 83 Ca 0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.31 0.53 -4.08 1.61 7.27 -1.26 -5.09 117.38 116.04 2rlo n GLN 84 Ca 0.00 -1.59 -0.32 0.00 0.07 0.00 0.00 57.00 55.16 2rlo n GLN 84 Cb 0.08 -1.11 -0.16 0.00 2.41 0.00 0.00 30.24 31.46 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 0.72 2.25 -1.71 1.69 0.00 -1.26 -4.68 121.76 118.78 2rlo s ALA 85 Ca 0.29 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2rlo s ALA 85 Cb 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2rlo s ALA 85 CO -0.14 -0.54 0.12 -1.91 0.00 0.00 0.00 175.76 173.29 2rlo n GLU 86 N 4.62 -2.36 0.30 0.00 4.07 -1.26 -4.84 120.64 121.17 2rlo n GLU 86 Ca -0.19 0.97 0.16 0.00 -0.06 0.00 0.00 57.16 58.05 2rlo n GLU 86 Cb 0.48 -5.68 0.93 0.00 -0.06 0.00 0.00 31.44 27.12 2rlo n GLU 86 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2rlo h GLU 87 N -0.28 0.00 -2.54 5.31 4.57 -1.99 -3.15 114.58 116.50 2rlo h GLU 87 Ca -0.50 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.14 2rlo h GLU 87 Cb 1.36 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.90 2rlo h GLU 87 CO 0.57 0.02 2.05 -0.85 -1.18 0.00 0.00 179.01 179.63 2rlo n GLU 88 N -3.67 3.32 -3.56 1.92 0.00 -1.26 -4.85 120.64 112.54 2rlo n GLU 88 Ca -0.03 -2.20 -0.41 0.00 0.00 0.00 0.00 57.16 54.52 2rlo n GLU 88 Cb 0.11 -2.48 -0.09 0.00 0.00 0.00 0.00 31.44 28.98 2rlo n GLU 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2rlo s ASN 89 N 1.50 5.74 -0.58 -1.84 4.22 -1.19 -5.04 114.94 117.74 2rlo s ASN 89 Ca 0.64 -1.52 -0.23 0.00 -2.14 0.00 0.00 52.86 49.62 2rlo s ASN 89 Cb 0.24 -2.03 0.05 0.00 1.28 0.00 0.00 41.25 40.80 2rlo s ASN 89 CO -0.07 -0.58 0.92 -0.36 -2.04 0.00 0.00 177.10 174.97 2rlo s PHE 90 N 1.46 2.78 -0.10 1.54 0.40 -1.26 -4.94 117.98 117.85 2rlo s PHE 90 Ca 0.03 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 2rlo s PHE 90 Cb -0.24 -4.09 0.04 0.00 0.51 0.00 0.00 43.02 39.24 2rlo s PHE 90 CO 0.03 -1.42 0.25 -1.21 0.70 0.00 0.00 175.22 173.56 2rlo s GLU 91 N 3.87 0.23 0.07 0.44 2.02 -1.26 -3.58 118.70 120.48 2rlo s GLU 91 Ca 0.26 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.79 2rlo s GLU 91 Cb -0.15 -0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.01 2rlo s GLU 91 CO 0.16 -0.13 -0.17 -0.59 0.02 0.00 0.00 175.26 174.55 2rlo s PHE 92 N 0.95 1.43 -0.02 1.61 -0.12 -0.76 -4.69 117.98 116.38 2rlo s PHE 92 Ca -0.07 -0.42 0.02 0.00 -0.05 0.00 0.00 56.93 56.42 2rlo s PHE 92 Cb -0.08 -0.81 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 2rlo s PHE 92 CO -0.06 0.10 -0.07 -0.51 -0.05 0.00 0.00 175.22 174.63 2rlo s LEU 93 N -1.63 3.17 -0.31 -1.99 1.43 0.25 -1.82 118.68 117.78 2rlo s LEU 93 Ca 0.02 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2rlo s LEU 93 Cb -0.09 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.41 2rlo s LEU 93 CO 0.03 0.31 0.01 -0.63 0.23 0.00 0.00 176.35 176.30 2rlo s ILE 94 N -0.94 2.90 -0.20 -0.59 -1.09 0.93 -2.16 121.20 120.05 2rlo s ILE 94 Ca 0.16 -1.52 -0.12 0.00 -2.23 0.00 0.00 60.65 56.94 2rlo s ILE 94 Cb -0.11 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.99 2rlo s ILE 94 CO 0.06 -0.18 0.20 -0.69 -1.23 0.00 0.00 174.94 173.09 2rlo s VAL 95 N 1.21 5.36 0.31 2.92 1.01 -0.08 0.28 120.40 131.41 2rlo s VAL 95 Ca -0.03 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2rlo s VAL 95 Cb -0.20 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.70 2rlo s VAL 95 CO -0.02 0.39 0.43 -0.24 0.00 0.00 0.00 175.10 175.66 2rlo n SER 96 N 3.79 0.53 0.18 3.32 2.88 0.26 -0.34 113.62 124.23 2rlo n SER 96 Ca -0.14 -1.46 0.11 0.00 -1.33 0.00 0.00 58.87 56.06 2rlo n SER 96 Cb 0.52 -0.28 0.10 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.29 0.00 -0.74 -3.46 0.87 -1.86 -3.26 113.55 104.81 2rlo h SER 97 Ca -0.14 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.21 2rlo h SER 97 Cb 0.51 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.35 2rlo h SER 97 CO 0.15 0.02 0.27 1.07 -0.53 0.00 0.00 176.83 177.80 2rlo n THR 98 N -2.95 2.95 0.00 2.23 5.66 -1.26 -4.89 114.28 116.01 2rlo n THR 98 Ca 0.02 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.39 2rlo n THR 98 Cb 0.55 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 -0.11 3.07 3.65 1.09 0.00 -1.23 -4.98 105.19 106.68 2rlo n GLY 99 Ca 0.41 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.89 2rlo n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 100 N -1.89 1.21 -3.98 1.61 -0.06 -1.26 -4.58 117.38 108.42 2rlo n GLN 100 Ca 0.00 0.44 -0.30 0.00 -2.00 0.00 0.00 57.00 55.14 2rlo n GLN 100 Cb 0.00 -2.11 -0.16 0.00 -4.06 0.00 0.00 30.24 23.91 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 2.07 1.55 -0.44 1.69 2.01 -1.25 0.91 115.64 122.19 2rlo s THR 101 Ca 0.91 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 2rlo s THR 101 Cb -0.99 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 69.90 2rlo s THR 101 CO 0.56 0.17 0.45 0.26 -0.69 0.00 0.00 174.62 175.37 2rlo s TRP 102 N 1.44 3.16 -0.33 4.92 0.52 0.14 -4.87 118.94 123.93 2rlo s TRP 102 Ca -0.01 -0.44 -0.13 0.00 0.02 0.00 0.00 56.10 55.54 2rlo s TRP 102 Cb -0.16 -2.99 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 2rlo s TRP 102 CO -0.08 -0.75 0.27 -1.58 0.02 0.00 0.00 176.95 174.83 2rlo s HIS 103 N 2.15 3.22 0.22 -1.98 2.46 -1.26 -0.05 115.29 120.05 2rlo s HIS 103 Ca 0.12 -0.07 0.08 0.00 0.47 0.00 0.00 55.06 55.66 2rlo s HIS 103 Cb -0.18 -2.51 -0.05 0.00 -0.13 0.00 0.00 32.58 29.72 2rlo s HIS 103 CO 0.13 -0.33 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.86 2rlo s PHE 104 N 1.82 1.81 -0.27 3.88 0.08 -0.75 -4.34 117.98 120.21 2rlo s PHE 104 Ca 0.08 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2rlo s PHE 104 Cb -0.17 -0.84 0.08 0.00 -0.57 0.00 0.00 43.02 41.52 2rlo s PHE 104 CO 0.11 0.41 0.01 -2.00 -0.10 0.00 0.00 175.22 173.66 2rlo s GLU 105 N -3.63 1.23 0.07 0.44 -6.30 -0.30 -1.82 118.70 108.39 2rlo s GLU 105 Ca 0.24 -1.07 -0.35 0.00 -2.50 0.00 0.00 54.97 51.28 2rlo s GLU 105 Cb -0.01 -2.46 -0.15 0.00 0.00 0.00 0.00 34.13 31.51 2rlo s GLU 105 CO 0.08 -0.76 1.56 0.00 0.02 0.00 0.00 175.26 176.17 2rlo n ALA 106 N 4.70 0.52 0.19 6.30 0.00 -1.23 -2.10 120.51 128.89 2rlo n ALA 106 Ca -0.06 0.44 0.15 0.00 0.00 0.00 0.00 53.44 53.97 2rlo n ALA 106 Cb 0.44 -2.28 0.77 0.00 0.00 0.00 0.00 19.45 18.37 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 6.08 1.95 -2.35 0.00 0.00 -1.93 -3.42 119.26 119.59 2rlo h ALA 107 Ca -0.46 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 2rlo h ALA 107 Cb 1.28 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2rlo h ALA 107 CO 0.87 -0.25 -0.75 0.45 0.00 0.00 0.00 179.25 179.58 2rlo s SER 108 N -6.25 3.76 0.02 0.00 0.15 -1.26 -5.06 113.70 105.06 2rlo s SER 108 Ca -0.05 -0.93 -0.26 0.00 0.70 0.00 0.00 55.95 55.41 2rlo s SER 108 Cb 0.17 -0.41 -0.16 0.00 -1.71 0.00 0.00 66.02 63.91 2rlo s SER 108 CO 0.61 0.05 1.26 -0.26 1.20 0.00 0.00 173.24 176.10 2rlo h PHE 109 N 2.33 -0.51 -0.18 3.44 -1.00 -1.97 -2.95 116.94 116.10 2rlo h PHE 109 Ca -0.42 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.30 2rlo h PHE 109 Cb 1.25 0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 2rlo h PHE 109 CO 0.77 -0.19 -0.12 0.93 -1.61 0.00 0.00 178.31 178.09 2rlo h GLU 110 N -0.84 0.29 -0.79 1.51 5.08 -1.97 -2.84 114.58 115.02 2rlo h GLU 110 Ca -0.06 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2rlo h GLU 110 Cb 0.55 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2rlo h GLU 110 CO 0.09 0.42 0.47 1.49 -1.00 0.00 0.00 179.01 180.48 2rlo h GLU 111 N 0.28 0.81 -0.18 2.33 4.81 -1.93 -1.13 114.58 119.57 2rlo h GLU 111 Ca 0.06 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2rlo h GLU 111 Cb 0.38 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2rlo h GLU 111 CO 0.02 0.54 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.73 2rlo h ARG 112 N 0.84 0.03 -0.77 1.92 2.43 -1.32 0.10 114.38 117.60 2rlo h ARG 112 Ca 0.36 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2rlo h ARG 112 Cb 0.23 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2rlo h ARG 112 CO -0.20 0.02 0.35 0.22 -1.51 0.00 0.00 179.97 178.86 2rlo h ASP 113 N 0.03 1.03 0.31 -3.80 3.58 -1.53 0.46 116.42 116.50 2rlo h ASP 113 Ca 0.09 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2rlo h ASP 113 Cb 0.12 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2rlo h ASP 113 CO -0.16 0.89 -0.17 0.00 -2.88 0.00 0.00 179.24 176.92 2rlo h ALA 114 N 1.18 -0.44 -0.13 -0.78 0.00 -0.64 0.16 119.26 118.61 2rlo h ALA 114 Ca 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2rlo h ALA 114 Cb 0.15 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2rlo h ALA 114 CO -0.03 -0.76 -0.07 -1.49 0.00 0.00 0.00 179.25 176.90 2rlo h TRP 115 N -0.45 -0.17 -0.68 0.00 4.06 -0.62 0.64 115.95 118.72 2rlo h TRP 115 Ca -0.04 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.01 2rlo h TRP 115 Cb 0.36 0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 2rlo h TRP 115 CO -0.08 -0.11 0.45 0.28 -3.56 0.00 0.00 178.44 175.42 2rlo h VAL 116 N -0.06 0.97 0.06 1.49 2.07 -0.71 0.18 116.25 120.25 2rlo h VAL 116 Ca 0.07 -0.22 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 2rlo h VAL 116 Cb 0.17 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2rlo h VAL 116 CO -0.17 0.12 -1.07 1.56 0.02 0.00 0.00 177.57 178.03 2rlo h GLN 117 N 0.63 0.24 -0.28 1.57 7.50 0.38 -2.40 115.11 122.74 2rlo h GLN 117 Ca 0.30 -0.34 -0.06 0.00 0.50 0.00 0.00 58.65 59.05 2rlo h GLN 117 Cb 0.36 0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 2rlo h GLN 117 CO -0.10 1.11 -0.07 0.00 -1.50 0.00 0.00 178.83 178.27 2rlo h ALA 118 N 0.76 0.39 0.08 3.87 0.00 0.16 0.80 119.26 125.32 2rlo h ALA 118 Ca -0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2rlo h ALA 118 Cb 1.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2rlo h ALA 118 CO 0.17 0.21 -0.04 0.82 0.00 0.00 0.00 179.25 180.41 2rlo h ILE 119 N 0.31 1.01 -0.18 0.00 5.03 -0.77 0.33 117.51 123.23 2rlo h ILE 119 Ca 0.07 -0.32 -0.06 0.00 -0.12 0.00 0.00 64.86 64.43 2rlo h ILE 119 Cb 0.55 1.22 -0.01 0.00 -3.03 0.00 0.00 36.82 35.54 2rlo h ILE 119 CO 0.03 0.08 -0.17 -0.33 -0.68 0.00 0.00 178.15 177.08 2rlo h GLU 120 N -0.25 0.31 -0.31 2.37 5.08 -1.40 -1.84 114.58 118.54 2rlo h GLU 120 Ca -0.01 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2rlo h GLU 120 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2rlo h GLU 120 CO 0.02 0.47 -0.09 1.03 -1.00 0.00 0.00 179.01 179.44 2rlo h SER 121 N 0.28 0.62 0.03 1.42 0.87 0.10 -1.96 113.55 114.92 2rlo h SER 121 Ca 0.05 -0.38 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 2rlo h SER 121 Cb 0.47 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2rlo h SER 121 CO 0.03 0.85 -0.13 1.56 -0.53 0.00 0.00 176.83 178.62 2rlo h GLN 122 N 0.38 0.22 -0.25 2.24 1.08 -0.04 -1.79 115.11 116.96 2rlo h GLN 122 Ca 0.08 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2rlo h GLN 122 Cb 0.59 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2rlo h GLN 122 CO 0.03 0.36 -0.17 0.82 -0.95 0.00 0.00 178.83 178.93 2rlo h ILE 123 N 0.21 1.31 -0.46 2.54 2.04 -1.10 0.69 117.51 122.74 2rlo h ILE 123 Ca 0.04 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 2rlo h ILE 123 Cb 0.36 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2rlo h ILE 123 CO 0.02 0.40 0.02 0.25 0.00 0.00 0.00 178.15 178.84 2rlo h LEU 124 N 0.26 0.71 -0.32 1.44 6.46 -1.06 0.12 115.31 122.92 2rlo h LEU 124 Ca 0.05 -0.16 -0.18 0.00 -0.12 0.00 0.00 57.88 57.47 2rlo h LEU 124 Cb 0.70 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2rlo h LEU 124 CO 0.05 0.76 -0.85 0.00 -0.62 0.00 0.00 178.44 177.78 2rlo h ALA 125 N 1.32 0.59 0.00 1.25 0.00 -1.26 -2.70 119.26 118.46 2rlo h ALA 125 Ca 0.14 -0.74 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 2rlo h ALA 125 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2rlo h ALA 125 CO 0.01 0.98 -0.90 0.77 0.00 0.00 0.00 179.25 180.12 2rlo h SER 126 N 0.04 0.00 0.00 0.00 0.02 -0.47 -3.38 113.55 109.77 2rlo h SER 126 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2rlo h SER 126 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2rlo h SER 126 CO 0.12 0.90 0.00 0.18 -1.14 0.00 0.00 176.83 176.88 2rlo n LEU 127 N -3.45 0.81 -0.79 5.07 4.77 0.39 -5.00 117.00 118.81 2rlo n LEU 127 Ca -0.00 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 2rlo n LEU 127 Cb 0.86 -0.32 0.25 0.00 -2.33 0.00 0.00 43.42 41.87 2rlo n LEU 127 CO 0.46 -0.32 0.71 0.00 -1.33 0.00 0.00 177.39 176.91