#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ans n ASP 2 N 0.00 0.73 0.00 0.00 9.92 -1.26 -3.65 116.55 122.29 2ans n ASP 2 Ca 0.00 0.21 0.11 0.00 -0.53 0.00 0.00 54.79 54.57 2ans n ASP 2 Cb 0.00 -0.01 0.53 0.00 -0.64 0.00 0.00 41.12 41.00 2ans n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ans n ALA 3 N -1.83 2.10 0.05 2.24 0.00 -1.26 -3.33 120.51 118.49 2ans n ALA 3 Ca 0.04 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2ans n ALA 3 Cb 0.44 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 2ans n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ans n PHE 4 N -1.32 0.00 -1.72 0.00 3.72 -1.24 -4.99 117.46 111.91 2ans n PHE 4 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 2ans n PHE 4 Cb 0.18 -0.39 -0.01 0.00 -0.94 0.00 0.00 39.48 38.32 2ans n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ans n VAL 5 N -2.09 1.83 0.00 -4.37 0.31 -1.21 -4.55 118.33 108.25 2ans n VAL 5 Ca -0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2ans n VAL 5 Cb 0.47 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2ans n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ans n GLY 6 N 0.91 3.02 3.77 2.92 0.00 -0.43 -4.94 105.19 110.45 2ans n GLY 6 Ca 0.05 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 2ans n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ans s THR 7 N -2.05 4.94 -0.07 2.61 2.01 -1.26 -1.88 115.64 119.94 2ans s THR 7 Ca 0.00 1.16 0.02 0.00 0.31 0.00 0.00 61.69 63.18 2ans s THR 7 Cb 0.00 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.64 2ans s THR 7 CO 0.00 0.44 -0.11 0.26 -0.69 0.00 0.00 174.62 174.52 2ans s TRP 8 N -0.31 1.40 -0.02 4.92 0.52 0.11 -1.39 118.94 124.18 2ans s TRP 8 Ca 0.29 -0.53 -0.07 0.00 0.02 0.00 0.00 56.10 55.81 2ans s TRP 8 Cb -0.18 -1.05 -0.05 0.00 -1.15 0.00 0.00 33.47 31.05 2ans s TRP 8 CO 0.16 -0.29 0.25 -1.59 0.02 0.00 0.00 176.95 175.49 2ans s LYS 9 N 0.80 3.57 -0.12 4.98 -2.85 0.91 -1.54 119.74 125.47 2ans s LYS 9 Ca -0.12 -0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.48 2ans s LYS 9 Cb -0.15 -3.11 -0.01 0.00 -2.06 0.00 0.00 37.83 32.50 2ans s LYS 9 CO 0.02 0.68 1.04 -1.17 0.10 0.00 0.00 175.35 176.02 2ans s LEU 10 N -1.60 4.22 -0.00 2.77 1.98 -1.17 -0.91 118.68 123.97 2ans s LEU 10 Ca 0.25 1.54 0.07 0.00 -2.89 0.00 0.00 54.13 53.10 2ans s LEU 10 Cb -0.13 -3.55 -0.09 0.00 0.66 0.00 0.00 46.19 43.07 2ans s LEU 10 CO 0.14 -0.51 0.23 1.33 -1.89 0.00 0.00 176.35 175.65 2ans n VAL 11 N 4.73 0.00 -3.61 1.68 0.24 -0.59 -4.96 118.33 115.82 2ans n VAL 11 Ca 0.10 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 2ans n VAL 11 Cb 0.48 0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 33.48 2ans n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ans s SER 12 N -2.18 -0.48 -0.15 -1.34 0.15 -1.11 -5.01 113.70 103.59 2ans s SER 12 Ca 0.00 0.46 -0.08 0.00 0.70 0.00 0.00 55.95 57.02 2ans s SER 12 Cb 0.05 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2ans s SER 12 CO 0.29 -0.56 0.35 -0.55 1.20 0.00 0.00 173.24 173.97 2ans s SER 13 N -1.30 -0.42 -0.04 5.45 0.15 -1.26 -1.98 113.70 114.30 2ans s SER 13 Ca -0.11 0.76 -0.01 0.00 0.70 0.00 0.00 55.95 57.28 2ans s SER 13 Cb -0.02 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2ans s SER 13 CO 0.07 -0.18 0.02 -1.61 1.20 0.00 0.00 173.24 172.75 2ans s GLU 14 N 1.20 0.18 -1.55 5.44 2.02 -0.44 -4.85 118.70 120.70 2ans s GLU 14 Ca -0.08 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2ans s GLU 14 Cb -0.08 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.62 2ans s GLU 14 CO -0.10 -0.22 0.00 0.09 0.02 0.00 0.00 175.26 175.05 2ans n ASN 15 N 4.64 -4.93 0.07 -0.19 5.03 -1.26 -1.77 115.26 116.85 2ans n ASN 15 Ca -0.17 0.15 -0.04 0.00 0.87 0.00 0.00 54.58 55.39 2ans n ASN 15 Cb 0.50 -3.98 0.16 0.00 -1.02 0.00 0.00 39.78 35.44 2ans n ASN 15 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2ans h PHE 16 N 0.00 0.37 -0.60 3.10 3.57 -1.90 -2.68 116.94 118.80 2ans h PHE 16 Ca -0.37 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 60.91 2ans h PHE 16 Cb 1.21 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2ans h PHE 16 CO 0.45 0.74 -0.02 0.22 -2.23 0.00 0.00 178.31 177.47 2ans h ASP 17 N 0.24 1.05 -0.53 0.41 3.58 -1.93 -1.86 116.42 117.39 2ans h ASP 17 Ca 0.01 -0.31 -0.07 0.00 0.42 0.00 0.00 57.03 57.09 2ans h ASP 17 Cb 0.96 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2ans h ASP 17 CO 0.08 1.11 0.09 0.44 -2.88 0.00 0.00 179.24 178.08 2ans h ASP 18 N 0.97 0.87 -0.25 2.28 5.19 -1.94 -0.40 116.42 123.14 2ans h ASP 18 Ca 0.17 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2ans h ASP 18 Cb 0.58 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2ans h ASP 18 CO 0.03 0.88 -0.05 0.22 -3.12 0.00 0.00 179.24 177.20 2ans h TYR 19 N 0.87 0.53 -0.54 4.55 3.20 -1.25 -2.45 116.97 121.87 2ans h TYR 19 Ca 0.18 -0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2ans h TYR 19 Cb 0.38 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2ans h TYR 19 CO 0.02 0.68 -0.00 0.52 -1.64 0.00 0.00 178.16 177.75 2ans h MET 20 N 0.22 0.92 -0.92 1.82 2.86 -1.19 -1.54 114.93 117.10 2ans h MET 20 Ca 0.06 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.46 2ans h MET 20 Cb 0.50 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 2ans h MET 20 CO 0.02 0.92 0.61 -0.22 1.06 0.00 0.00 176.91 179.29 2ans h LYS 21 N 0.85 1.15 -0.18 1.72 3.64 -1.00 -0.30 116.57 122.44 2ans h LYS 21 Ca 0.16 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 2ans h LYS 21 Cb 0.51 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2ans h LYS 21 CO 0.03 0.76 -0.53 1.49 -2.27 0.00 0.00 179.45 178.93 2ans h GLU 22 N 1.18 0.68 0.00 1.90 4.57 -1.00 -3.07 114.58 118.84 2ans h GLU 22 Ca 0.36 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2ans h GLU 22 Cb -0.03 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2ans h GLU 22 CO -0.10 1.11 0.00 1.33 -1.18 0.00 0.00 179.01 180.17 2ans n VAL 23 N -4.14 0.81 -0.08 0.32 0.24 -0.62 -4.87 118.33 109.99 2ans n VAL 23 Ca -0.07 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2ans n VAL 23 Cb 0.61 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 2ans n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ans n GLY 24 N 0.07 0.95 3.75 7.63 0.00 -0.95 -5.08 105.19 111.56 2ans n GLY 24 Ca 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2ans n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ans s VAL 25 N -2.00 3.52 0.33 1.61 1.01 -0.17 -4.99 120.40 119.71 2ans s VAL 25 Ca 0.00 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 2ans s VAL 25 Cb 0.00 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2ans s VAL 25 CO 0.00 0.31 1.19 -0.83 0.00 0.00 0.00 175.10 175.76 2ans s GLY 26 N -0.53 2.99 0.30 4.51 0.00 -1.26 -4.63 107.32 108.70 2ans s GLY 26 Ca 0.47 1.04 0.00 0.00 0.00 0.00 0.00 44.72 46.23 2ans s GLY 26 CO 0.40 1.63 1.57 -2.75 0.00 0.00 0.00 173.10 173.95 2ans h PHE 27 N 3.33 -0.12 0.46 1.90 3.04 -1.97 0.60 116.94 124.18 2ans h PHE 27 Ca -0.48 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.52 2ans h PHE 27 Cb 1.22 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.95 2ans h PHE 27 CO 0.57 -0.43 -0.22 0.00 -2.02 0.00 0.00 178.31 176.21 2ans h ALA 28 N 1.98 -0.61 0.00 2.41 0.00 -2.01 -2.94 119.26 118.09 2ans h ALA 28 Ca 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2ans h ALA 28 Cb 1.15 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ans h ALA 28 CO -0.94 -0.66 -0.15 1.79 0.00 0.00 0.00 179.25 179.30 2ans h THR 29 N -0.99 0.54 0.00 0.00 1.35 -1.78 -2.55 112.91 109.48 2ans h THR 29 Ca -0.06 -0.70 -0.07 0.00 -0.55 0.00 0.00 66.41 65.03 2ans h THR 29 Cb 0.58 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 2ans h THR 29 CO 0.10 0.14 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.09 2ans h ARG 30 N 0.00 0.00 0.00 4.72 2.43 0.19 -0.93 114.38 120.79 2ans h ARG 30 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2ans h ARG 30 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2ans h ARG 30 CO 0.02 0.33 -0.93 1.57 -1.51 0.00 0.00 179.97 179.46 2ans h LYS 31 N 0.00 0.00 0.07 0.20 2.10 -1.27 -2.90 116.57 114.77 2ans h LYS 31 Ca -0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 2ans h LYS 31 Cb 0.70 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.05 2ans h LYS 31 CO 0.04 0.24 -1.02 0.28 -2.00 0.00 0.00 179.45 177.00 2ans h VAL 32 N 0.00 1.34 0.00 0.07 2.07 -1.37 -3.19 116.25 115.17 2ans h VAL 32 Ca -0.07 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.07 2ans h VAL 32 Cb 1.33 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.76 2ans h VAL 32 CO 0.04 0.70 -0.20 0.00 0.02 0.00 0.00 177.57 178.13 2ans h ALA 33 N 0.29 1.01 0.00 1.67 0.00 -1.29 -2.87 119.26 118.07 2ans h ALA 33 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ans h ALA 33 Cb 1.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ans h ALA 33 CO 0.20 0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.48 2ans h GLY 34 N 2.19 0.00 0.46 0.00 0.00 -1.52 -3.17 103.07 101.03 2ans h GLY 34 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ans h GLY 34 CO 0.03 0.00 -0.75 1.03 0.00 0.00 0.00 176.54 176.84 2ans n MET 35 N -2.44 0.02 -2.78 4.80 2.81 -1.09 -4.95 117.12 113.49 2ans n MET 35 Ca 0.05 -0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.56 2ans n MET 35 Cb 0.42 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 2ans n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ans s ALA 36 N -2.99 3.17 -0.69 3.04 0.00 -1.20 -5.02 121.76 118.06 2ans s ALA 36 Ca 0.10 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.60 2ans s ALA 36 Cb 0.17 -3.18 0.17 0.00 0.00 0.00 0.00 23.12 20.28 2ans s ALA 36 CO 0.78 0.15 0.48 0.15 0.00 0.00 0.00 175.76 177.33 2ans s LYS 37 N -2.32 2.46 0.80 0.00 -0.14 -1.26 -5.06 119.74 114.21 2ans s LYS 37 Ca 0.53 -3.26 -0.14 0.00 -1.36 0.00 0.00 55.97 51.74 2ans s LYS 37 Cb -0.17 -3.45 0.05 0.00 -1.68 0.00 0.00 37.83 32.59 2ans s LYS 37 CO 0.21 -1.26 1.00 -2.30 -0.76 0.00 0.00 175.35 172.24 2ans n PRO 38 N 2.14 0.22 -3.93 -1.68 -0.02 -1.26 -4.73 135.00 125.73 2ans n PRO 38 Ca 0.18 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 2ans n PRO 38 Cb 0.35 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 2ans n PRO 38 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2ans s ASN 39 N -1.94 4.42 -0.31 2.55 0.02 0.03 -3.05 114.94 116.66 2ans s ASN 39 Ca 0.71 -2.43 -0.29 0.00 -1.02 0.00 0.00 52.86 49.83 2ans s ASN 39 Cb -0.30 -1.48 0.01 0.00 0.02 0.00 0.00 41.25 39.49 2ans s ASN 39 CO 0.53 -0.32 1.23 -0.32 0.02 0.00 0.00 177.10 178.24 2ans s MET 40 N 0.54 3.95 -0.32 -0.60 -2.45 -0.59 -2.12 119.30 117.71 2ans s MET 40 Ca 0.14 1.16 -0.05 0.00 -1.25 0.00 0.00 55.69 55.69 2ans s MET 40 Cb -0.22 -3.84 0.04 0.00 1.25 0.00 0.00 34.83 32.06 2ans s MET 40 CO -0.06 -1.07 0.06 0.42 1.05 0.00 0.00 175.02 175.42 2ans s ILE 41 N 4.17 3.55 -0.15 10.11 1.01 0.19 -0.71 121.20 139.37 2ans s ILE 41 Ca 0.53 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2ans s ILE 41 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2ans s ILE 41 CO 0.21 -0.10 0.09 -0.63 0.00 0.00 0.00 174.94 174.51 2ans s ILE 42 N 1.37 5.03 0.08 2.92 1.01 -0.79 -1.03 121.20 129.79 2ans s ILE 42 Ca -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 2ans s ILE 42 Cb -0.19 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2ans s ILE 42 CO 0.01 0.52 0.14 -0.94 0.00 0.00 0.00 174.94 174.68 2ans s SER 43 N -0.23 0.21 0.04 3.58 1.04 -0.33 -1.31 113.70 116.71 2ans s SER 43 Ca 0.09 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.81 2ans s SER 43 Cb -0.12 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 2ans s SER 43 CO 0.01 -0.70 -0.11 -0.69 0.98 0.00 0.00 173.24 172.72 2ans s VAL 44 N -3.88 0.88 -0.38 5.02 1.01 -1.26 -0.65 120.40 121.14 2ans s VAL 44 Ca 0.06 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2ans s VAL 44 Cb 0.06 -0.85 0.16 0.00 0.00 0.00 0.00 36.38 35.75 2ans s VAL 44 CO -0.10 -0.16 0.39 0.21 0.00 0.00 0.00 175.10 175.44 2ans s ASN 45 N -1.33 1.00 0.68 3.32 3.84 -0.51 -5.01 114.94 116.92 2ans s ASN 45 Ca -0.03 -1.58 0.00 0.00 0.21 0.00 0.00 52.86 51.47 2ans s ASN 45 Cb -0.08 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 2ans s ASN 45 CO 0.01 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 2ans n GLY 46 N 4.20 1.36 0.22 1.21 0.00 -1.26 -2.52 105.19 108.40 2ans n GLY 46 Ca 0.12 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.51 2ans n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ans n ASP 47 N 3.99 0.64 -4.52 1.61 5.75 -1.26 -4.78 116.55 117.98 2ans n ASP 47 Ca 0.00 -1.95 -0.36 0.00 -0.01 0.00 0.00 54.79 52.47 2ans n ASP 47 Cb 0.00 -0.08 -0.12 0.00 -1.03 0.00 0.00 41.12 39.90 2ans n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ans s LEU 48 N -1.06 3.61 -0.18 -2.12 1.43 -1.05 -4.40 118.68 114.92 2ans s LEU 48 Ca 0.10 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2ans s LEU 48 Cb 0.05 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2ans s LEU 48 CO 0.07 0.03 0.00 -0.69 0.23 0.00 0.00 176.35 176.00 2ans s VAL 49 N 1.21 4.15 -0.13 -1.59 1.01 0.54 -1.43 120.40 124.16 2ans s VAL 49 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2ans s VAL 49 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2ans s VAL 49 CO 0.04 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.58 2ans s THR 50 N 0.64 3.11 -0.28 3.92 2.01 0.18 -1.26 115.64 123.96 2ans s THR 50 Ca -0.00 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2ans s THR 50 Cb -0.14 -2.31 0.07 0.00 0.01 0.00 0.00 72.50 70.13 2ans s THR 50 CO 0.02 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.81 2ans s ILE 51 N 0.36 1.95 -0.22 1.82 1.01 -0.15 -1.19 121.20 124.78 2ans s ILE 51 Ca -0.10 -1.73 -0.05 0.00 0.00 0.00 0.00 60.65 58.77 2ans s ILE 51 Cb -0.16 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 2ans s ILE 51 CO 0.05 -0.26 0.00 -0.60 0.00 0.00 0.00 174.94 174.14 2ans s ARG 52 N 1.15 3.53 -0.30 2.79 3.52 -0.20 -2.11 118.95 127.34 2ans s ARG 52 Ca -0.01 -0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 2ans s ARG 52 Cb -0.19 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2ans s ARG 52 CO -0.08 -0.12 0.08 0.45 -0.81 0.00 0.00 175.30 174.82 2ans s SER 53 N 1.35 5.12 -0.18 -2.12 0.15 -0.62 0.57 113.70 117.97 2ans s SER 53 Ca 0.04 -0.73 -0.05 0.00 0.70 0.00 0.00 55.95 55.92 2ans s SER 53 Cb -0.15 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 2ans s SER 53 CO 0.00 -0.19 -0.00 -1.61 1.20 0.00 0.00 173.24 172.64 2ans s GLU 54 N 1.49 3.70 0.30 5.44 2.02 -0.90 -1.49 118.70 129.26 2ans s GLU 54 Ca 0.02 -0.49 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 2ans s GLU 54 Cb -0.17 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.03 2ans s GLU 54 CO 0.02 0.13 0.63 -1.54 0.02 0.00 0.00 175.26 174.53 2ans s SER 55 N 0.68 -0.02 0.27 -0.19 1.04 -1.24 -0.79 113.70 113.46 2ans s SER 55 Ca -0.00 -0.93 0.11 0.00 0.48 0.00 0.00 55.95 55.61 2ans s SER 55 Cb -0.14 0.70 0.34 0.00 0.10 0.00 0.00 66.02 67.03 2ans s SER 55 CO 0.02 -1.35 1.60 0.71 0.98 0.00 0.00 173.24 175.20 2ans h THR 56 N 2.09 1.39 0.11 2.02 1.35 -1.98 -3.26 112.91 114.63 2ans h THR 56 Ca -0.25 -2.16 -0.01 0.00 -0.55 0.00 0.00 66.41 63.45 2ans h THR 56 Cb 1.25 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 2ans h THR 56 CO 0.33 0.61 -0.05 0.15 -0.25 0.00 0.00 175.52 176.30 2ans h PHE 57 N 0.00 -0.13 -1.43 4.73 3.57 -1.96 -3.47 116.94 118.25 2ans h PHE 57 Ca -0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2ans h PHE 57 Cb 1.13 0.04 -0.28 0.00 2.79 0.00 0.00 35.95 39.63 2ans h PHE 57 CO 0.00 0.25 0.60 0.21 -2.23 0.00 0.00 178.31 177.13 2ans s LYS 58 N -4.53 0.36 -0.33 1.11 2.20 -1.23 -5.09 119.74 112.23 2ans s LYS 58 Ca -0.15 0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 55.74 2ans s LYS 58 Cb 0.02 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2ans s LYS 58 CO 0.62 -0.04 0.34 -0.80 -0.36 0.00 0.00 175.35 175.11 2ans s ASN 59 N 0.14 6.17 0.31 1.43 0.02 -1.26 -3.68 114.94 118.06 2ans s ASN 59 Ca 0.05 -0.17 0.10 0.00 -1.02 0.00 0.00 52.86 51.82 2ans s ASN 59 Cb -0.05 -2.19 -0.05 0.00 0.02 0.00 0.00 41.25 38.98 2ans s ASN 59 CO -0.09 -0.29 -0.08 0.42 0.02 0.00 0.00 177.10 177.08 2ans s THR 60 N 1.98 2.67 -0.24 1.60 -4.23 -0.56 -5.01 115.64 111.85 2ans s THR 60 Ca 0.11 -2.15 -0.15 0.00 -1.18 0.00 0.00 61.69 58.32 2ans s THR 60 Cb -0.16 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.13 2ans s THR 60 CO 0.11 -0.30 0.60 -0.70 -0.54 0.00 0.00 174.62 173.79 2ans s GLU 61 N -3.62 0.63 -0.05 3.99 2.12 -1.26 -1.59 118.70 118.92 2ans s GLU 61 Ca 0.32 1.02 0.01 0.00 0.36 0.00 0.00 54.97 56.69 2ans s GLU 61 Cb -0.02 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2ans s GLU 61 CO 0.18 -0.14 -0.06 0.96 -0.54 0.00 0.00 175.26 175.66 2ans s ILE 62 N 1.27 0.63 -0.08 -3.70 -4.36 -0.90 -5.00 121.20 109.05 2ans s ILE 62 Ca -0.08 -0.18 0.02 0.00 -0.26 0.00 0.00 60.65 60.15 2ans s ILE 62 Cb -0.06 -0.63 -0.02 0.00 1.25 0.00 0.00 42.46 43.00 2ans s ILE 62 CO -0.13 0.24 -0.14 -0.44 0.24 0.00 0.00 174.94 174.71 2ans s SER 63 N 0.85 4.02 0.25 4.36 0.01 -1.26 -0.98 113.70 120.95 2ans s SER 63 Ca -0.12 -0.25 -0.22 0.00 1.31 0.00 0.00 55.95 56.67 2ans s SER 63 Cb -0.15 -1.18 0.03 0.00 0.21 0.00 0.00 66.02 64.93 2ans s SER 63 CO 0.01 0.27 0.73 0.72 0.41 0.00 0.00 173.24 175.37 2ans s PHE 64 N -0.26 -0.23 -0.04 2.43 -0.12 -0.39 -4.97 117.98 114.40 2ans s PHE 64 Ca 0.02 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2ans s PHE 64 Cb -0.13 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2ans s PHE 64 CO 0.03 -1.15 -0.15 0.15 -0.05 0.00 0.00 175.22 174.05 2ans s LYS 65 N -3.84 2.46 0.35 1.99 1.02 -1.26 -0.34 119.74 120.12 2ans s LYS 65 Ca 0.10 -0.72 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 2ans s LYS 65 Cb -0.05 -2.35 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 2ans s LYS 65 CO 0.04 0.62 1.42 1.28 -0.92 0.00 0.00 175.35 177.79 2ans n LEU 66 N 2.25 4.19 0.00 3.17 4.77 -1.26 -2.58 117.00 127.54 2ans n LEU 66 Ca -0.17 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2ans n LEU 66 Cb 0.52 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2ans n LEU 66 CO 0.25 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2ans n GLY 67 N 0.85 0.55 3.37 -0.72 0.00 0.81 -4.96 105.19 105.09 2ans n GLY 67 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2ans n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ans s VAL 68 N -2.21 4.08 0.29 1.61 1.01 -1.06 -4.96 120.40 119.16 2ans s VAL 68 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2ans s VAL 68 Cb 0.00 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 33.21 2ans s VAL 68 CO 0.00 0.15 1.37 1.21 0.00 0.00 0.00 175.10 177.84 2ans n GLU 69 N 4.89 2.15 -4.03 2.72 2.13 -1.26 -4.64 120.64 122.60 2ans n GLU 69 Ca -0.15 0.76 -0.09 0.00 0.66 0.00 0.00 57.16 58.34 2ans n GLU 69 Cb 0.49 -2.39 -0.09 0.00 0.27 0.00 0.00 31.44 29.72 2ans n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2ans s PHE 70 N -0.52 0.51 0.01 4.31 -0.71 -0.16 -4.98 117.98 116.44 2ans s PHE 70 Ca 0.62 -0.94 -0.19 0.00 -1.04 0.00 0.00 56.93 55.37 2ans s PHE 70 Cb -0.60 -0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 40.88 2ans s PHE 70 CO 0.55 -0.52 0.54 -0.51 -1.34 0.00 0.00 175.22 173.94 2ans s ASP 71 N -2.95 6.95 0.00 1.98 1.01 -1.26 -0.30 116.67 122.10 2ans s ASP 71 Ca 0.13 1.13 0.01 0.00 0.71 0.00 0.00 52.55 54.52 2ans s ASP 71 Cb 0.06 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.65 2ans s ASP 71 CO -0.05 0.19 -0.02 -0.70 0.21 0.00 0.00 175.17 174.79 2ans s GLU 72 N -0.56 0.19 -0.35 8.23 2.12 -0.24 -4.92 118.70 123.16 2ans s GLU 72 Ca 0.29 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.45 2ans s GLU 72 Cb -0.18 -0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.13 2ans s GLU 72 CO 0.16 0.04 0.11 0.42 -0.54 0.00 0.00 175.26 175.45 2ans s ILE 73 N -0.19 3.33 1.18 -3.70 1.01 -1.26 -0.39 121.20 121.18 2ans s ILE 73 Ca -0.01 -1.58 -0.14 0.00 0.00 0.00 0.00 60.65 58.92 2ans s ILE 73 Cb -0.02 -3.05 0.28 0.00 0.01 0.00 0.00 42.46 39.68 2ans s ILE 73 CO -0.00 -0.36 1.03 0.42 0.00 0.00 0.00 174.94 176.03 2ans s THR 74 N 1.25 1.87 0.37 2.92 -4.23 -0.16 -4.84 115.64 112.83 2ans s THR 74 Ca 0.01 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 2ans s THR 74 Cb -0.21 -2.18 0.22 0.00 1.34 0.00 0.00 72.50 71.67 2ans s THR 74 CO -0.01 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.04 2ans h ALA 75 N -2.62 1.54 -0.45 3.99 0.00 -1.99 -1.15 119.26 118.58 2ans h ALA 75 Ca -0.58 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 2ans h ALA 75 Cb 1.34 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2ans h ALA 75 CO 0.49 0.36 0.18 -0.40 0.00 0.00 0.00 179.25 179.87 2ans n ASP 76 N -4.38 3.62 -3.70 0.00 5.75 -1.26 -4.92 116.55 111.66 2ans n ASP 76 Ca 0.03 -2.72 -0.24 0.00 -0.01 0.00 0.00 54.79 51.85 2ans n ASP 76 Cb 0.14 -0.65 0.03 0.00 -1.03 0.00 0.00 41.12 39.61 2ans n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ans n ASP 77 N -0.01 -2.38 -4.68 -1.12 8.00 -0.44 -5.01 116.55 110.91 2ans n ASP 77 Ca 0.25 -0.88 -0.35 0.00 0.71 0.00 0.00 54.79 54.51 2ans n ASP 77 Cb 0.98 -3.85 -0.09 0.00 -0.02 0.00 0.00 41.12 38.14 2ans n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ans s ARG 78 N -5.94 3.01 -0.71 -1.24 0.52 -1.26 -4.87 118.95 108.47 2ans s ARG 78 Ca 0.14 -0.40 -0.15 0.00 -0.52 0.00 0.00 55.73 54.80 2ans s ARG 78 Cb -0.04 -2.81 0.18 0.00 0.52 0.00 0.00 34.95 32.80 2ans s ARG 78 CO 0.83 0.69 0.67 0.21 0.02 0.00 0.00 175.30 177.73 2ans s LYS 79 N -0.86 3.34 0.47 3.54 2.20 -1.26 -0.99 119.74 126.19 2ans s LYS 79 Ca 0.13 -2.09 0.07 0.00 -0.36 0.00 0.00 55.97 53.71 2ans s LYS 79 Cb -0.11 -4.39 0.00 0.00 -1.51 0.00 0.00 37.83 31.82 2ans s LYS 79 CO 0.02 -1.33 0.39 0.14 -0.36 0.00 0.00 175.35 174.21 2ans s VAL 80 N 0.92 2.23 -0.19 4.02 -7.23 0.47 -4.81 120.40 115.82 2ans s VAL 80 Ca 0.12 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2ans s VAL 80 Cb -0.18 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.11 2ans s VAL 80 CO -0.04 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.08 2ans s LYS 81 N -4.19 3.16 0.14 4.82 -0.14 -0.69 -1.08 119.74 121.76 2ans s LYS 81 Ca 0.43 -0.74 0.08 0.00 -1.36 0.00 0.00 55.97 54.38 2ans s LYS 81 Cb -0.02 -2.74 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 2ans s LYS 81 CO 0.26 -0.18 -0.09 -1.12 -0.76 0.00 0.00 175.35 173.45 2ans s SER 82 N 1.32 4.37 -0.09 2.83 0.01 0.59 -1.17 113.70 121.57 2ans s SER 82 Ca 0.04 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 2ans s SER 82 Cb -0.14 -0.80 0.05 0.00 0.21 0.00 0.00 66.02 65.34 2ans s SER 82 CO -0.08 0.14 0.16 -0.63 0.41 0.00 0.00 173.24 173.23 2ans s ILE 83 N -1.46 -0.25 -0.15 1.44 1.01 -0.93 -0.98 121.20 119.87 2ans s ILE 83 Ca 0.23 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 2ans s ILE 83 Cb -0.10 -0.30 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 2ans s ILE 83 CO 0.15 0.14 -0.10 -0.63 0.00 0.00 0.00 174.94 174.49 2ans s ILE 84 N 2.29 3.19 0.26 2.92 1.01 -1.26 -1.77 121.20 127.84 2ans s ILE 84 Ca 0.03 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.12 2ans s ILE 84 Cb -0.12 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 2ans s ILE 84 CO -0.06 0.50 0.00 0.42 0.00 0.00 0.00 174.94 175.80 2ans s THR 85 N 0.60 1.18 -0.71 2.92 -4.23 -0.44 -0.13 115.64 114.83 2ans s THR 85 Ca -0.06 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.29 2ans s THR 85 Cb -0.15 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.41 2ans s THR 85 CO 0.03 -0.24 0.61 -0.76 -0.54 0.00 0.00 174.62 173.72 2ans s LEU 86 N -3.37 6.21 -0.21 4.79 1.43 -1.26 -1.01 118.68 125.27 2ans s LEU 86 Ca 0.31 -2.55 -0.04 0.00 -1.03 0.00 0.00 54.13 50.81 2ans s LEU 86 Cb 0.06 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2ans s LEU 86 CO 0.11 -0.57 -0.03 -0.62 0.23 0.00 0.00 176.35 175.48 2ans s ASP 87 N 2.01 4.54 -1.46 2.29 -1.08 -0.41 -4.62 116.67 117.94 2ans s ASP 87 Ca 0.15 -0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 51.79 2ans s ASP 87 Cb -0.17 -1.77 0.04 0.00 -1.46 0.00 0.00 42.92 39.56 2ans s ASP 87 CO -0.05 0.03 0.80 0.61 0.52 0.00 0.00 175.17 177.07 2ans n GLY 88 N 4.47 -0.52 3.45 2.66 0.00 -1.26 -1.61 105.19 112.37 2ans n GLY 88 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ans n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ans n GLY 89 N -1.60 2.99 3.94 -0.02 0.00 -1.26 -5.00 105.19 104.24 2ans n GLY 89 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2ans n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ans s ALA 90 N -2.04 3.84 -0.69 4.61 0.00 -0.64 -4.85 121.76 121.99 2ans s ALA 90 Ca 0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 2ans s ALA 90 Cb 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.31 2ans s ALA 90 CO 0.00 0.28 0.84 -1.17 0.00 0.00 0.00 175.76 175.71 2ans s LEU 91 N -3.74 5.25 -0.20 0.00 2.96 0.04 -1.28 118.68 121.71 2ans s LEU 91 Ca 0.37 -1.57 -0.16 0.00 -0.22 0.00 0.00 54.13 52.55 2ans s LEU 91 Cb -0.10 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2ans s LEU 91 CO 0.31 -1.12 0.42 -0.69 -1.32 0.00 0.00 176.35 173.94 2ans s VAL 92 N 2.74 5.19 -0.14 1.68 1.01 -0.18 -0.76 120.40 129.93 2ans s VAL 92 Ca 0.18 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2ans s VAL 92 Cb -0.18 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 2ans s VAL 92 CO 0.03 0.24 -0.16 -1.58 0.00 0.00 0.00 175.10 173.63 2ans s GLN 93 N 1.35 3.24 -0.20 2.72 0.74 0.11 -1.32 119.66 126.29 2ans s GLN 93 Ca 0.20 -0.75 -0.02 0.00 0.05 0.00 0.00 55.36 54.84 2ans s GLN 93 Cb -0.15 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.37 2ans s GLN 93 CO 0.08 0.08 -0.11 0.08 -0.55 0.00 0.00 175.29 174.86 2ans s VAL 94 N 0.67 2.78 -0.13 1.34 1.01 -0.73 0.06 120.40 125.39 2ans s VAL 94 Ca -0.08 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2ans s VAL 94 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2ans s VAL 94 CO 0.02 0.48 0.01 -1.10 0.00 0.00 0.00 175.10 174.51 2ans s GLN 95 N 1.38 3.48 -0.07 2.72 -0.21 -0.47 -2.19 119.66 124.30 2ans s GLN 95 Ca 0.05 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.05 2ans s GLN 95 Cb -0.14 -2.96 0.01 0.00 1.00 0.00 0.00 33.01 30.92 2ans s GLN 95 CO -0.08 0.45 -0.16 0.15 -2.12 0.00 0.00 175.29 173.53 2ans s LYS 96 N -0.17 2.11 -0.25 2.91 1.02 -0.31 -1.82 119.74 123.23 2ans s LYS 96 Ca 0.05 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 2ans s LYS 96 Cb -0.12 -1.68 0.07 0.00 -0.52 0.00 0.00 37.83 35.58 2ans s LYS 96 CO 0.02 0.09 0.61 1.67 -0.92 0.00 0.00 175.35 176.82 2ans s TRP 97 N 0.52 -0.91 -1.35 3.18 -2.14 -0.47 -1.70 118.94 116.06 2ans s TRP 97 Ca -0.15 1.87 -0.04 0.00 2.66 0.00 0.00 56.10 60.44 2ans s TRP 97 Cb -0.16 0.51 -0.00 0.00 -3.10 0.00 0.00 33.47 30.72 2ans s TRP 97 CO 0.05 -0.46 0.49 -0.25 -2.66 0.00 0.00 176.95 174.12 2ans n ASP 98 N 4.18 -1.18 0.00 -2.66 8.00 -1.26 -0.54 116.55 123.09 2ans n ASP 98 Ca -0.20 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.29 2ans n ASP 98 Cb 0.58 -3.13 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 2ans n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ans n GLY 99 N -1.92 1.69 3.95 0.44 0.00 -1.26 -4.97 105.19 103.11 2ans n GLY 99 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2ans n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ans s LYS 100 N -0.05 3.36 -0.18 1.61 1.02 0.30 -5.12 119.74 120.69 2ans s LYS 100 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 55.97 55.40 2ans s LYS 100 Cb 0.00 -2.63 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 2ans s LYS 100 CO 0.00 0.03 0.56 0.45 -0.92 0.00 0.00 175.35 175.47 2ans s SER 101 N -4.09 -0.57 0.01 2.83 0.15 -1.26 -1.37 113.70 109.40 2ans s SER 101 Ca 0.43 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 58.07 2ans s SER 101 Cb -0.10 1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 65.22 2ans s SER 101 CO 0.37 -0.27 0.00 0.28 1.20 0.00 0.00 173.24 174.82 2ans s THR 102 N -0.03 0.06 -0.09 6.45 -1.32 -0.76 -4.66 115.64 115.28 2ans s THR 102 Ca -0.03 -0.47 0.03 0.00 -1.21 0.00 0.00 61.69 60.02 2ans s THR 102 Cb -0.04 -0.17 -0.01 0.00 -1.51 0.00 0.00 72.50 70.78 2ans s THR 102 CO 0.02 -0.26 -0.20 0.42 -2.21 0.00 0.00 174.62 172.40 2ans s THR 103 N -0.76 2.45 -0.22 5.08 -4.23 -0.89 -1.37 115.64 115.70 2ans s THR 103 Ca -0.08 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2ans s THR 103 Cb -0.05 -1.96 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 2ans s THR 103 CO -0.00 0.55 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.94 2ans s ILE 104 N 0.13 3.18 -0.28 2.99 1.01 0.11 -1.03 121.20 127.30 2ans s ILE 104 Ca -0.10 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 2ans s ILE 104 Cb -0.16 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2ans s ILE 104 CO 0.06 0.40 0.05 -0.75 0.00 0.00 0.00 174.94 174.69 2ans s LYS 105 N 1.44 3.03 -0.35 2.79 2.20 -0.04 0.07 119.74 128.88 2ans s LYS 105 Ca 0.05 -0.88 -0.11 0.00 -0.36 0.00 0.00 55.97 54.66 2ans s LYS 105 Cb -0.14 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 2ans s LYS 105 CO -0.04 -0.43 0.20 1.03 -0.36 0.00 0.00 175.35 175.74 2ans s ARG 106 N 1.46 3.12 0.14 4.03 0.52 0.06 -0.66 118.95 127.62 2ans s ARG 106 Ca 0.02 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2ans s ARG 106 Cb -0.17 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 2ans s ARG 106 CO 0.01 -0.56 -0.11 -1.59 0.02 0.00 0.00 175.30 173.07 2ans s LYS 107 N 1.61 1.04 -0.25 3.54 -2.85 0.38 -0.78 119.74 122.43 2ans s LYS 107 Ca 0.04 -1.39 -0.12 0.00 -1.00 0.00 0.00 55.97 53.50 2ans s LYS 107 Cb -0.18 -0.69 -0.05 0.00 -2.06 0.00 0.00 37.83 34.85 2ans s LYS 107 CO 0.07 0.10 0.23 1.03 0.10 0.00 0.00 175.35 176.88 2ans s ARG 108 N -3.43 4.04 -0.62 1.78 1.81 -1.26 0.18 118.95 121.46 2ans s ARG 108 Ca 0.14 -0.18 0.05 0.00 -1.72 0.00 0.00 55.73 54.03 2ans s ARG 108 Cb 0.00 -3.59 0.20 0.00 -0.45 0.00 0.00 34.95 31.12 2ans s ARG 108 CO 0.01 -0.07 0.56 -3.47 -0.68 0.00 0.00 175.30 171.65 2ans n ASP 109 N 4.69 2.53 0.00 0.23 -0.08 -0.21 -4.95 116.55 118.75 2ans n ASP 109 Ca -0.13 -3.13 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 2ans n ASP 109 Cb 0.52 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.29 2ans n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ans n GLY 110 N 1.66 1.36 0.49 0.27 0.00 -1.26 -3.51 105.19 104.20 2ans n GLY 110 Ca 0.25 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.58 2ans n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ans n ASP 111 N 4.86 1.55 -4.57 1.61 5.75 -1.26 -4.93 116.55 119.56 2ans n ASP 111 Ca 0.00 -1.51 -0.24 0.00 -0.01 0.00 0.00 54.79 53.03 2ans n ASP 111 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 2ans n ASP 111 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2ans s LYS 112 N -2.01 1.99 -0.27 0.11 -2.85 -1.23 -4.50 119.74 110.98 2ans s LYS 112 Ca 0.37 -1.66 -0.04 0.00 -1.00 0.00 0.00 55.97 53.64 2ans s LYS 112 Cb 0.21 -1.93 0.02 0.00 -2.06 0.00 0.00 37.83 34.07 2ans s LYS 112 CO 0.34 0.28 -0.00 -1.17 0.10 0.00 0.00 175.35 174.90 2ans s LEU 113 N -3.62 3.49 -0.12 2.77 2.96 -1.09 -1.05 118.68 122.02 2ans s LEU 113 Ca 0.32 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 2ans s LEU 113 Cb -0.04 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2ans s LEU 113 CO 0.18 -0.16 0.12 -0.69 -1.32 0.00 0.00 176.35 174.48 2ans s VAL 114 N 1.39 5.36 -0.15 1.68 1.01 0.13 0.46 120.40 130.29 2ans s VAL 114 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2ans s VAL 114 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2ans s VAL 114 CO -0.01 0.61 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 2ans s VAL 115 N -0.93 1.48 -0.34 2.92 1.01 0.13 -0.47 120.40 124.21 2ans s VAL 115 Ca 0.14 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2ans s VAL 115 Cb -0.12 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2ans s VAL 115 CO 0.03 0.42 0.10 -1.61 0.00 0.00 0.00 175.10 174.04 2ans s GLU 116 N 1.52 2.58 -0.24 2.72 2.02 0.16 -1.27 118.70 126.18 2ans s GLU 116 Ca 0.04 -1.22 -0.13 0.00 0.02 0.00 0.00 54.97 53.69 2ans s GLU 116 Cb -0.13 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2ans s GLU 116 CO -0.10 -0.68 0.27 0.00 0.02 0.00 0.00 175.26 174.77 2ans s VAL 118 N 1.46 1.68 -0.31 0.00 1.01 -0.20 -0.17 120.40 123.86 2ans s VAL 118 Ca 0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2ans s VAL 118 Cb -0.15 -1.42 0.13 0.00 0.00 0.00 0.00 36.38 34.94 2ans s VAL 118 CO 0.08 0.48 0.28 -0.32 0.00 0.00 0.00 175.10 175.61 2ans s MET 119 N -0.12 0.38 -0.58 2.72 -2.45 -0.81 -2.10 119.30 116.35 2ans s MET 119 Ca -0.02 -0.44 -0.22 0.00 -1.25 0.00 0.00 55.69 53.76 2ans s MET 119 Cb -0.12 -0.81 0.03 0.00 1.25 0.00 0.00 34.83 35.19 2ans s MET 119 CO 0.02 -1.08 0.64 1.63 1.05 0.00 0.00 175.02 177.29 2ans n LYS 120 N 4.99 -1.84 0.00 4.11 5.02 -1.26 -3.41 118.16 125.77 2ans n LYS 120 Ca 0.01 1.35 0.00 0.00 -2.02 0.00 0.00 58.31 57.65 2ans n LYS 120 Cb 0.45 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 2ans n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ans n GLY 121 N -0.75 2.05 3.74 0.72 0.00 -1.26 -5.00 105.19 104.70 2ans n GLY 121 Ca -0.11 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2ans n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ans s VAL 122 N 0.00 2.43 -0.09 1.61 0.11 -1.22 -5.02 120.40 118.22 2ans s VAL 122 Ca 0.00 0.36 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2ans s VAL 122 Cb 0.00 -3.23 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 2ans s VAL 122 CO 0.00 0.05 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.78 2ans s THR 123 N 0.13 1.43 0.08 5.04 2.01 -1.26 -1.92 115.64 121.14 2ans s THR 123 Ca 0.62 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2ans s THR 123 Cb -0.44 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2ans s THR 123 CO 0.44 0.42 0.15 -0.55 -0.69 0.00 0.00 174.62 174.39 2ans s SER 124 N 0.84 5.90 -0.10 3.53 0.15 0.75 -4.78 113.70 119.98 2ans s SER 124 Ca -0.10 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 2ans s SER 124 Cb -0.15 -1.69 0.04 0.00 -1.71 0.00 0.00 66.02 62.51 2ans s SER 124 CO 0.01 0.15 0.03 -0.89 1.20 0.00 0.00 173.24 173.75 2ans s THR 125 N -1.49 0.23 -0.15 6.45 2.01 -0.73 -1.49 115.64 120.48 2ans s THR 125 Ca 0.32 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.35 2ans s THR 125 Cb -0.12 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.85 2ans s THR 125 CO 0.25 0.07 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.93 2ans s ARG 126 N 2.02 2.78 -0.18 4.92 0.52 -0.40 -1.33 118.95 127.28 2ans s ARG 126 Ca 0.03 -0.76 -0.05 0.00 -0.52 0.00 0.00 55.73 54.44 2ans s ARG 126 Cb -0.14 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 2ans s ARG 126 CO -0.06 -0.12 -0.01 0.54 0.02 0.00 0.00 175.30 175.66 2ans s VAL 127 N 1.11 3.98 0.51 3.52 0.11 -0.84 -0.69 120.40 128.10 2ans s VAL 127 Ca -0.01 -0.31 0.09 0.00 -2.93 0.00 0.00 61.98 58.82 2ans s VAL 127 Cb -0.14 -2.77 0.05 0.00 -1.53 0.00 0.00 36.38 31.99 2ans s VAL 127 CO -0.07 0.46 0.70 -0.31 -3.33 0.00 0.00 175.10 172.55 2ans s TYR 128 N 0.63 2.01 -0.15 1.54 1.51 0.17 -1.54 117.35 121.54 2ans s TYR 128 Ca -0.01 -0.58 -0.18 0.00 -1.01 0.00 0.00 57.07 55.29 2ans s TYR 128 Cb -0.14 -2.29 0.05 0.00 -0.11 0.00 0.00 41.96 39.46 2ans s TYR 128 CO 0.02 -0.85 0.49 -2.00 -1.11 0.00 0.00 175.55 172.10 2ans s GLU 129 N -4.54 0.64 0.26 -0.62 2.12 -0.09 -2.69 118.70 113.79 2ans s GLU 129 Ca 0.59 0.52 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 2ans s GLU 129 Cb -0.08 0.31 -0.14 0.00 0.26 0.00 0.00 34.13 34.48 2ans s GLU 129 CO 0.36 -0.11 1.26 0.54 -0.54 0.00 0.00 175.26 176.77 2ans n ARG 130 N 2.40 1.77 0.00 4.30 1.74 -1.26 -0.06 116.66 125.55 2ans n ARG 130 Ca -0.15 0.63 0.14 0.00 -0.77 0.00 0.00 57.85 57.70 2ans n ARG 130 Cb 0.57 -2.18 0.58 0.00 -1.02 0.00 0.00 32.46 30.40 2ans n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11