#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 0.56 0.23 0.00 2.03 -1.26 -3.80 116.55 114.30 2ans n ASP 2 Ca 0.00 -0.34 0.12 0.00 0.52 0.00 0.00 54.79 55.08 2ans n ASP 2 Cb 0.00 0.10 0.38 0.00 -0.72 0.00 0.00 41.12 40.87 2ans n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ans h ALA 3 N 3.23 0.96 0.00 -1.67 0.00 -2.03 -3.17 119.26 116.58 2ans h ALA 3 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ans h ALA 3 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ans h ALA 3 CO 0.00 0.15 -0.79 1.19 0.00 0.00 0.00 179.25 179.79 2ans n PHE 4 N -3.18 0.30 -1.78 0.00 3.01 -1.25 -4.93 117.46 109.62 2ans n PHE 4 Ca 0.02 0.09 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 2ans n PHE 4 Cb 0.47 -0.46 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2ans n PHE 4 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2ans s VAL 5 N -3.14 2.12 -5.00 -4.37 1.01 -1.20 -4.61 120.40 105.21 2ans s VAL 5 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2ans s VAL 5 Cb 0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2ans s VAL 5 CO 0.76 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.48 2ans n GLY 6 N 3.02 0.57 3.25 4.51 0.00 -0.70 -4.97 105.19 110.87 2ans n GLY 6 Ca 0.12 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.25 3.45 0.09 2.61 2.01 -1.26 -1.31 115.64 119.98 2ans s THR 7 Ca 0.00 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 60.96 2ans s THR 7 Cb 0.00 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 2ans s THR 7 CO 0.00 -0.04 -0.02 0.26 -0.69 0.00 0.00 174.62 174.13 2ans s TRP 8 N 1.37 2.95 -0.01 4.92 0.52 0.33 0.42 118.94 129.45 2ans s TRP 8 Ca -0.01 -0.04 0.06 0.00 0.02 0.00 0.00 56.10 56.12 2ans s TRP 8 Cb -0.19 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 2ans s TRP 8 CO 0.00 0.47 -0.18 -1.59 0.02 0.00 0.00 176.95 175.67 2ans s LYS 9 N -2.23 1.47 0.38 4.98 -2.85 0.80 -0.98 119.74 121.30 2ans s LYS 9 Ca 0.25 -0.67 -0.28 0.00 -1.00 0.00 0.00 55.97 54.27 2ans s LYS 9 Cb -0.12 -1.43 -0.10 0.00 -2.06 0.00 0.00 37.83 34.12 2ans s LYS 9 CO 0.17 0.39 1.40 -1.17 0.10 0.00 0.00 175.35 176.24 2ans s LEU 10 N -0.49 4.31 0.00 2.77 2.96 -1.10 -1.32 118.68 125.81 2ans s LEU 10 Ca 0.07 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.85 2ans s LEU 10 Cb -0.07 -3.73 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2ans s LEU 10 CO -0.01 -0.80 0.00 1.33 -1.32 0.00 0.00 176.35 175.56 2ans n VAL 11 N 0.44 0.00 -3.72 1.68 0.24 -0.39 -4.88 118.33 111.70 2ans n VAL 11 Ca 0.01 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 2ans n VAL 11 Cb 0.41 0.53 -0.09 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.44 -0.40 -0.09 -1.34 0.15 -1.09 -4.98 113.70 105.52 2ans s SER 12 Ca 0.00 0.67 -0.05 0.00 0.70 0.00 0.00 55.95 57.27 2ans s SER 12 Cb 0.00 0.72 0.04 0.00 -1.71 0.00 0.00 66.02 65.07 2ans s SER 12 CO 0.00 -0.24 0.21 -0.55 1.20 0.00 0.00 173.24 173.86 2ans s SER 13 N -0.21 -0.21 -0.03 5.45 0.15 -1.26 -1.17 113.70 116.42 2ans s SER 13 Ca -0.04 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2ans s SER 13 Cb -0.03 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2ans s SER 13 CO 0.02 -0.16 0.02 -1.61 1.20 0.00 0.00 173.24 172.71 2ans s GLU 14 N 1.18 0.15 -1.85 5.44 2.02 -0.29 -4.84 118.70 120.52 2ans s GLU 14 Ca -0.09 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.04 2ans s GLU 14 Cb -0.10 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.72 2ans s GLU 14 CO -0.07 -0.16 0.00 0.09 0.02 0.00 0.00 175.26 175.13 2ans n ASN 15 N 4.25 -5.13 0.08 -0.19 4.13 -1.26 -1.41 115.26 115.74 2ans n ASN 15 Ca -0.25 0.41 0.01 0.00 1.68 0.00 0.00 54.58 56.42 2ans n ASN 15 Cb 0.50 -4.18 0.32 0.00 -1.54 0.00 0.00 39.78 34.89 2ans n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2ans h PHE 16 N 0.00 0.34 -0.14 3.10 3.57 -1.89 -2.08 116.94 119.84 2ans h PHE 16 Ca -0.36 -0.05 -0.17 0.00 3.53 0.00 0.00 57.97 60.91 2ans h PHE 16 Cb 1.16 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 2ans h PHE 16 CO 0.49 0.48 -0.63 0.22 -2.23 0.00 0.00 178.31 176.64 2ans h ASP 17 N 0.29 0.59 0.25 0.41 3.58 -1.94 -1.67 116.42 117.93 2ans h ASP 17 Ca 0.05 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 57.05 2ans h ASP 17 Cb 0.47 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2ans h ASP 17 CO 0.03 1.07 -0.43 0.44 -2.88 0.00 0.00 179.24 177.47 2ans h ASP 18 N 0.38 0.24 -0.06 2.28 3.32 -1.90 -2.00 116.42 118.68 2ans h ASP 18 Ca -0.01 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 2ans h ASP 18 Cb 1.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2ans h ASP 18 CO 0.11 0.65 -0.20 0.22 -1.72 0.00 0.00 179.24 178.30 2ans h TYR 19 N 0.19 0.33 -0.69 4.55 3.20 -1.25 -2.72 116.97 120.57 2ans h TYR 19 Ca 0.02 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 2ans h TYR 19 Cb 0.84 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 2ans h TYR 19 CO 0.01 0.82 0.37 0.52 -1.64 0.00 0.00 178.16 178.25 2ans h MET 20 N -0.26 0.96 -0.16 1.82 2.86 -1.28 -2.16 114.93 116.71 2ans h MET 20 Ca -0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2ans h MET 20 Cb 0.83 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2ans h MET 20 CO 0.04 0.71 0.10 -0.22 1.06 0.00 0.00 176.91 178.61 2ans h LYS 21 N 0.97 0.21 -0.63 1.72 3.64 -1.38 -1.04 116.57 120.06 2ans h LYS 21 Ca 0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2ans h LYS 21 Cb 0.04 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2ans h LYS 21 CO -0.04 0.15 0.33 0.93 -2.27 0.00 0.00 179.45 178.56 2ans h GLU 22 N 0.21 0.87 0.00 1.90 4.39 -1.12 -1.12 114.58 119.70 2ans h GLU 22 Ca 0.06 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ans h GLU 22 Cb -0.01 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2ans h GLU 22 CO -0.01 0.64 0.00 1.33 -1.16 0.00 0.00 179.01 179.81 2ans n VAL 23 N -4.38 0.49 0.00 3.13 0.24 -0.85 -4.91 118.33 112.05 2ans n VAL 23 Ca 0.06 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2ans n VAL 23 Cb 0.10 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 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 0.84 1.00 3.76 7.63 0.00 -0.42 -5.08 105.19 112.91 2ans n GLY 24 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 2.08 0.52 1.61 1.01 -0.44 -4.97 120.40 118.21 2ans s VAL 25 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2ans s VAL 25 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 2ans s VAL 25 CO 0.00 0.01 1.10 -0.83 0.00 0.00 0.00 175.10 175.38 2ans s GLY 26 N -0.60 2.61 0.20 4.51 0.00 -1.26 -4.67 107.32 108.11 2ans s GLY 26 Ca 0.63 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.96 2ans s GLY 26 CO 0.54 1.12 1.61 -2.75 0.00 0.00 0.00 173.10 173.62 2ans h PHE 27 N 1.40 -0.56 -0.01 1.90 3.04 -1.99 0.30 116.94 121.02 2ans h PHE 27 Ca -0.50 0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.41 2ans h PHE 27 Cb 1.25 0.34 -0.02 0.00 2.56 0.00 0.00 35.95 40.08 2ans h PHE 27 CO 0.53 -0.32 -0.51 0.00 -2.02 0.00 0.00 178.31 175.98 2ans h ALA 28 N 1.40 1.13 0.05 2.41 0.00 -2.00 -2.55 119.26 119.70 2ans h ALA 28 Ca 0.28 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 2ans h ALA 28 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ans h ALA 28 CO -0.67 0.65 -1.06 1.15 0.00 0.00 0.00 179.25 179.31 2ans h THR 29 N 0.02 1.44 -0.49 0.00 2.02 -1.53 -3.01 112.91 111.35 2ans h THR 29 Ca -0.00 -2.68 -0.04 0.00 0.77 0.00 0.00 66.41 64.46 2ans h THR 29 Cb 0.92 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 2ans h THR 29 CO 0.07 0.79 0.14 0.03 0.37 0.00 0.00 175.52 176.92 2ans h ARG 30 N 0.17 0.74 0.66 6.66 3.08 -0.36 -0.98 114.38 124.34 2ans h ARG 30 Ca -0.10 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2ans h ARG 30 Cb 1.73 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.67 2ans h ARG 30 CO 0.18 0.65 -0.32 -0.22 -1.07 0.00 0.00 179.97 179.19 2ans h LYS 31 N 0.72 -0.85 -0.00 0.04 1.63 -1.40 -1.47 116.57 115.23 2ans h LYS 31 Ca 0.16 0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.90 2ans h LYS 31 Cb 0.23 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2ans h LYS 31 CO -0.01 -0.56 -0.57 -0.39 -3.45 0.00 0.00 179.45 174.47 2ans h VAL 32 N -0.91 1.41 -0.18 2.00 -1.51 -1.44 -3.06 116.25 112.56 2ans h VAL 32 Ca -0.09 -1.96 -0.13 0.00 -1.23 0.00 0.00 66.70 63.29 2ans h VAL 32 Cb 0.69 2.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 2ans h VAL 32 CO 0.15 0.56 -0.44 0.00 -1.23 0.00 0.00 177.57 176.61 2ans h ALA 33 N 1.41 0.91 0.00 5.19 0.00 -1.14 -2.98 119.26 122.66 2ans h ALA 33 Ca -0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2ans h ALA 33 Cb 1.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2ans h ALA 33 CO 0.08 0.64 -0.48 0.78 0.00 0.00 0.00 179.25 180.26 2ans h GLY 34 N 1.15 0.00 1.44 0.00 0.00 -1.20 -2.98 103.07 101.48 2ans h GLY 34 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2ans h GLY 34 CO 0.08 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.65 2ans n MET 35 N -3.54 0.50 -3.50 4.80 2.81 -1.13 -4.81 117.12 112.25 2ans n MET 35 Ca -0.00 0.03 -0.38 0.00 -1.81 0.00 0.00 57.70 55.54 2ans n MET 35 Cb 0.59 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.44 3.67 -0.83 3.04 0.00 -1.13 -5.03 121.76 119.04 2ans s ALA 36 Ca 0.29 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2ans s ALA 36 Cb 0.18 -2.40 0.21 0.00 0.00 0.00 0.00 23.12 21.11 2ans s ALA 36 CO 0.39 0.41 0.70 1.63 0.00 0.00 0.00 175.76 178.89 2ans n LYS 37 N 2.15 2.41 -1.21 0.00 4.01 -1.26 -5.05 118.16 119.20 2ans n LYS 37 Ca -0.13 -4.50 -0.31 0.00 -0.51 0.00 0.00 58.31 52.86 2ans n LYS 37 Cb 0.52 -2.37 0.10 0.00 -0.51 0.00 0.00 35.03 32.78 2ans n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2ans s PRO 38 N -1.49 2.04 -0.19 1.97 0.04 -1.26 -4.73 135.00 131.39 2ans s PRO 38 Ca 0.27 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 2ans s PRO 38 Cb -0.05 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ans s PRO 38 CO -0.13 -1.83 -0.10 -0.80 0.04 0.00 0.00 177.00 174.17 2ans s ASN 39 N -3.03 3.95 -0.18 6.66 -0.87 -0.42 -2.73 114.94 118.33 2ans s ASN 39 Ca 0.64 -0.43 -0.15 0.00 -1.57 0.00 0.00 52.86 51.35 2ans s ASN 39 Cb -0.20 -1.64 -0.04 0.00 -0.02 0.00 0.00 41.25 39.35 2ans s ASN 39 CO 0.54 0.04 0.34 -0.32 -2.57 0.00 0.00 177.10 175.13 2ans s MET 40 N 1.12 4.22 -0.26 -0.60 1.75 -0.15 -1.53 119.30 123.84 2ans s MET 40 Ca 0.01 0.14 0.02 0.00 -1.25 0.00 0.00 55.69 54.61 2ans s MET 40 Cb -0.14 -3.48 0.06 0.00 2.84 0.00 0.00 34.83 34.11 2ans s MET 40 CO -0.03 0.11 -0.07 0.42 -0.65 0.00 0.00 175.02 174.80 2ans s ILE 41 N 0.86 1.95 -0.16 10.11 1.01 0.20 -0.51 121.20 134.66 2ans s ILE 41 Ca 0.18 -1.57 -0.06 0.00 0.00 0.00 0.00 60.65 59.20 2ans s ILE 41 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2ans s ILE 41 CO 0.06 -0.12 0.04 -0.63 0.00 0.00 0.00 174.94 174.29 2ans s ILE 42 N 1.19 4.62 0.06 2.92 1.01 -0.43 -0.52 121.20 130.05 2ans s ILE 42 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 2ans s ILE 42 Cb -0.19 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2ans s ILE 42 CO -0.06 0.50 0.05 -0.55 0.00 0.00 0.00 174.94 174.88 2ans s SER 43 N 0.03 0.35 0.00 3.58 0.15 0.19 -1.72 113.70 116.29 2ans s SER 43 Ca 0.05 -0.86 0.02 0.00 0.70 0.00 0.00 55.95 55.86 2ans s SER 43 Cb -0.12 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2ans s SER 43 CO 0.01 -0.63 -0.07 -0.69 1.20 0.00 0.00 173.24 173.06 2ans s VAL 44 N -3.78 0.54 -0.27 4.45 1.01 -1.26 0.25 120.40 121.33 2ans s VAL 44 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2ans s VAL 44 Cb 0.06 -0.47 0.09 0.00 0.00 0.00 0.00 36.38 36.07 2ans s VAL 44 CO -0.10 0.10 0.12 0.20 0.00 0.00 0.00 175.10 175.42 2ans s ASN 45 N -0.31 3.39 1.72 3.32 -0.87 0.03 -5.01 114.94 117.21 2ans s ASN 45 Ca 0.01 -1.21 0.00 0.00 -1.57 0.00 0.00 52.86 50.10 2ans s ASN 45 Cb -0.03 -0.37 0.00 0.00 -0.02 0.00 0.00 41.25 40.83 2ans s ASN 45 CO -0.00 -0.42 0.00 0.61 -2.57 0.00 0.00 177.10 174.71 2ans n GLY 46 N 5.23 3.41 1.42 0.66 0.00 -1.26 -1.18 105.19 113.46 2ans n GLY 46 Ca -0.06 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 9.40 4.46 -4.38 1.61 5.75 -1.26 -4.91 116.55 127.22 2ans n ASP 47 Ca 0.00 -2.43 -0.34 0.00 -0.01 0.00 0.00 54.79 52.01 2ans n ASP 47 Cb 0.00 -0.53 -0.13 0.00 -1.03 0.00 0.00 41.12 39.42 2ans n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2ans s LEU 48 N -1.80 3.00 -0.08 -2.12 2.96 -0.33 -4.41 118.68 115.90 2ans s LEU 48 Ca 0.47 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2ans s LEU 48 Cb 0.31 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 2ans s LEU 48 CO 0.23 0.07 0.02 -0.69 -1.32 0.00 0.00 176.35 174.65 2ans s VAL 49 N 0.97 4.43 -0.10 1.68 1.01 0.61 -0.79 120.40 128.21 2ans s VAL 49 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2ans s VAL 49 Cb -0.15 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2ans s VAL 49 CO 0.01 0.58 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 2ans s THR 50 N -0.93 1.62 -0.31 3.92 2.01 0.14 -0.70 115.64 121.39 2ans s THR 50 Ca 0.14 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2ans s THR 50 Cb -0.11 -1.45 0.09 0.00 0.01 0.00 0.00 72.50 71.03 2ans s THR 50 CO 0.04 0.46 0.01 -0.63 -0.69 0.00 0.00 174.62 173.81 2ans s ILE 51 N 0.76 2.14 -0.15 1.82 1.01 -0.39 -0.63 121.20 125.76 2ans s ILE 51 Ca -0.11 -2.07 -0.08 0.00 0.00 0.00 0.00 60.65 58.39 2ans s ILE 51 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2ans s ILE 51 CO 0.02 -0.45 0.13 -0.60 0.00 0.00 0.00 174.94 174.05 2ans s ARG 52 N 1.01 3.68 -0.11 2.79 3.52 0.32 -2.33 118.95 127.83 2ans s ARG 52 Ca 0.05 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 2ans s ARG 52 Cb -0.19 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 2ans s ARG 52 CO -0.08 0.61 -0.12 0.45 -0.81 0.00 0.00 175.30 175.36 2ans s SER 53 N -0.55 2.28 -0.07 -2.12 0.15 -0.30 0.61 113.70 113.70 2ans s SER 53 Ca 0.13 -0.37 0.05 0.00 0.70 0.00 0.00 55.95 56.45 2ans s SER 53 Cb -0.12 -0.97 -0.00 0.00 -1.71 0.00 0.00 66.02 63.22 2ans s SER 53 CO 0.02 -0.04 -0.23 -1.61 1.20 0.00 0.00 173.24 172.57 2ans s GLU 54 N 1.29 2.59 0.37 5.44 2.02 -0.58 -0.86 118.70 128.96 2ans s GLU 54 Ca -0.01 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.97 2ans s GLU 54 Cb -0.14 -2.10 0.05 0.00 0.10 0.00 0.00 34.13 32.05 2ans s GLU 54 CO -0.05 0.28 0.79 -1.54 0.02 0.00 0.00 175.26 174.76 2ans s SER 55 N 0.07 -0.02 0.14 -0.19 1.04 -1.22 -1.31 113.70 112.22 2ans s SER 55 Ca -0.09 -1.09 -0.09 0.00 0.48 0.00 0.00 55.95 55.16 2ans s SER 55 Cb -0.15 0.83 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 2ans s SER 55 CO 0.05 -1.64 1.42 0.74 0.98 0.00 0.00 173.24 174.79 2ans h THR 56 N 2.00 1.29 0.36 2.02 2.02 -1.97 -3.30 112.91 115.32 2ans h THR 56 Ca -0.31 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.06 2ans h THR 56 Cb 1.25 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2ans h THR 56 CO 0.39 0.57 -0.18 0.15 0.37 0.00 0.00 175.52 176.82 2ans h PHE 57 N 0.58 -0.46 -1.31 3.16 3.57 -1.96 -3.47 116.94 117.05 2ans h PHE 57 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 2ans h PHE 57 Cb 1.18 0.16 -0.25 0.00 2.79 0.00 0.00 35.95 39.82 2ans h PHE 57 CO 0.07 -0.29 0.75 0.21 -2.23 0.00 0.00 178.31 176.82 2ans s LYS 58 N -6.12 0.33 -0.15 1.11 2.20 -1.24 -5.10 119.74 110.77 2ans s LYS 58 Ca -0.16 0.08 -0.05 0.00 -0.36 0.00 0.00 55.97 55.48 2ans s LYS 58 Cb 0.05 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.49 2ans s LYS 58 CO 0.64 -0.10 0.02 -0.80 -0.36 0.00 0.00 175.35 174.74 2ans s ASN 59 N -1.07 5.29 0.18 1.43 0.01 -1.26 -3.41 114.94 116.12 2ans s ASN 59 Ca 0.04 0.03 0.05 0.00 -0.71 0.00 0.00 52.86 52.27 2ans s ASN 59 Cb -0.01 -1.81 -0.05 0.00 0.41 0.00 0.00 41.25 39.80 2ans s ASN 59 CO -0.03 0.22 -0.08 0.42 -1.51 0.00 0.00 177.10 176.12 2ans s THR 60 N 0.08 1.25 -0.29 1.60 -4.23 -0.04 -5.00 115.64 108.99 2ans s THR 60 Ca 0.03 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.37 2ans s THR 60 Cb -0.13 -2.03 0.14 0.00 1.34 0.00 0.00 72.50 71.83 2ans s THR 60 CO 0.02 -0.60 0.63 -0.70 -0.54 0.00 0.00 174.62 173.42 2ans s GLU 61 N -3.76 0.56 -0.07 3.99 2.12 -1.26 -1.15 118.70 119.14 2ans s GLU 61 Ca 0.21 1.36 0.05 0.00 0.36 0.00 0.00 54.97 56.95 2ans s GLU 61 Cb 0.03 0.79 -0.00 0.00 0.26 0.00 0.00 34.13 35.20 2ans s GLU 61 CO 0.04 -0.27 -0.23 0.96 -0.54 0.00 0.00 175.26 175.22 2ans s ILE 62 N 2.88 1.91 -0.08 -3.70 -4.36 -0.99 -4.99 121.20 111.86 2ans s ILE 62 Ca -0.01 -0.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 2ans s ILE 62 Cb -0.13 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 2ans s ILE 62 CO -0.19 0.53 -0.14 -0.44 0.24 0.00 0.00 174.94 174.94 2ans s SER 63 N 0.07 4.01 0.28 4.36 0.01 -1.26 -1.26 113.70 119.91 2ans s SER 63 Ca -0.09 -0.26 -0.14 0.00 1.31 0.00 0.00 55.95 56.77 2ans s SER 63 Cb -0.15 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 64.91 2ans s SER 63 CO 0.05 0.27 0.56 0.72 0.41 0.00 0.00 173.24 175.25 2ans s PHE 64 N -0.26 0.28 -0.08 2.43 -0.71 0.12 -4.96 117.98 114.80 2ans s PHE 64 Ca 0.01 -0.68 0.05 0.00 -1.04 0.00 0.00 56.93 55.27 2ans s PHE 64 Cb -0.13 0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 42.01 2ans s PHE 64 CO 0.03 -1.11 -0.24 0.15 -1.34 0.00 0.00 175.22 172.71 2ans s LYS 65 N -3.76 2.85 0.15 1.99 1.02 -1.26 -0.28 119.74 120.44 2ans s LYS 65 Ca 0.20 -0.88 -0.34 0.00 0.02 0.00 0.00 55.97 54.97 2ans s LYS 65 Cb -0.02 -2.26 -0.15 0.00 -0.52 0.00 0.00 37.83 34.87 2ans s LYS 65 CO 0.10 0.28 1.32 1.28 -0.92 0.00 0.00 175.35 177.40 2ans n LEU 66 N 3.25 2.03 0.00 3.17 4.32 -1.26 -2.05 117.00 126.46 2ans n LEU 66 Ca -0.18 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 2ans n LEU 66 Cb 0.53 -1.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.06 2ans n LEU 66 CO 0.27 -0.95 0.00 0.61 -1.22 0.00 0.00 177.39 176.10 2ans n GLY 67 N 2.41 0.92 3.44 -0.72 0.00 0.97 -4.99 105.19 107.23 2ans n GLY 67 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.06 3.99 0.43 1.61 1.01 -0.87 -4.94 120.40 118.57 2ans s VAL 68 Ca 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 2ans s VAL 68 Cb 0.00 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 2ans s VAL 68 CO 0.00 0.41 1.44 -0.70 0.00 0.00 0.00 175.10 176.24 2ans s GLU 69 N 1.18 3.80 0.12 2.72 2.12 -1.26 -4.62 118.70 122.76 2ans s GLU 69 Ca 0.03 2.45 -0.07 0.00 0.36 0.00 0.00 54.97 57.74 2ans s GLU 69 Cb -0.14 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 2ans s GLU 69 CO 0.02 -0.74 0.19 -0.59 -0.54 0.00 0.00 175.26 173.60 2ans s PHE 70 N -1.18 0.38 0.00 5.30 -0.71 -0.34 -4.99 117.98 116.45 2ans s PHE 70 Ca 0.59 -0.79 -0.17 0.00 -1.04 0.00 0.00 56.93 55.52 2ans s PHE 70 Cb -0.44 -0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.17 2ans s PHE 70 CO 0.58 -0.60 0.48 -0.51 -1.34 0.00 0.00 175.22 173.83 2ans s ASP 71 N -2.94 6.88 0.00 1.98 1.01 -1.26 -0.58 116.67 121.76 2ans s ASP 71 Ca 0.13 1.04 0.01 0.00 0.71 0.00 0.00 52.55 54.44 2ans s ASP 71 Cb 0.05 -2.30 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 2ans s ASP 71 CO -0.05 0.24 -0.03 -0.70 0.21 0.00 0.00 175.17 174.84 2ans s GLU 72 N -0.72 0.22 -0.39 8.23 2.12 -0.20 -4.92 118.70 123.05 2ans s GLU 72 Ca 0.26 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 2ans s GLU 72 Cb -0.17 -0.18 0.08 0.00 0.26 0.00 0.00 34.13 34.11 2ans s GLU 72 CO 0.15 0.05 0.18 0.42 -0.54 0.00 0.00 175.26 175.51 2ans s ILE 73 N -0.21 3.64 0.84 -3.70 -1.09 -1.26 -0.72 121.20 118.70 2ans s ILE 73 Ca -0.01 -1.59 -0.11 0.00 -2.23 0.00 0.00 60.65 56.71 2ans s ILE 73 Cb -0.02 -3.27 0.10 0.00 -1.58 0.00 0.00 42.46 37.69 2ans s ILE 73 CO -0.00 -0.46 1.09 0.42 -1.23 0.00 0.00 174.94 174.76 2ans s THR 74 N 1.29 2.93 0.34 2.92 -4.23 -0.54 -4.89 115.64 113.48 2ans s THR 74 Ca 0.03 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 2ans s THR 74 Cb -0.22 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.15 2ans s THR 74 CO -0.01 -0.40 1.93 0.00 -0.54 0.00 0.00 174.62 175.61 2ans h ALA 75 N -1.38 1.66 -0.10 3.99 0.00 -1.97 0.43 119.26 121.89 2ans h ALA 75 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ans h ALA 75 Cb 1.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ans h ALA 75 CO 0.52 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 2ans n ASP 76 N -4.50 1.19 -2.61 0.00 5.75 -1.26 -4.89 116.55 110.24 2ans n ASP 76 Ca 0.13 -2.07 -0.15 0.00 -0.01 0.00 0.00 54.79 52.68 2ans n ASP 76 Cb 0.26 -0.32 0.06 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.03 -4.23 -4.73 -1.12 9.92 0.14 -5.03 116.55 111.47 2ans n ASP 77 Ca 0.04 -0.38 -0.35 0.00 -0.53 0.00 0.00 54.79 53.57 2ans n ASP 77 Cb 0.25 -3.58 -0.08 0.00 -0.64 0.00 0.00 41.12 37.07 2ans n ASP 77 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2ans s ARG 78 N -5.65 3.44 -0.54 -1.24 0.52 -1.25 -4.89 118.95 109.34 2ans s ARG 78 Ca 0.30 -0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 55.02 2ans s ARG 78 Cb -0.13 -3.05 0.08 0.00 0.52 0.00 0.00 34.95 32.37 2ans s ARG 78 CO 0.49 0.59 0.64 0.21 0.02 0.00 0.00 175.30 177.25 2ans s LYS 79 N -0.52 3.08 0.32 3.54 2.20 -1.26 -1.46 119.74 125.63 2ans s LYS 79 Ca 0.10 -1.13 0.10 0.00 -0.36 0.00 0.00 55.97 54.68 2ans s LYS 79 Cb -0.12 -4.18 -0.05 0.00 -1.51 0.00 0.00 37.83 31.97 2ans s LYS 79 CO 0.02 -1.36 -0.05 0.14 -0.36 0.00 0.00 175.35 173.74 2ans s VAL 80 N 2.57 2.61 -0.28 4.02 -7.23 0.10 -4.83 120.40 117.36 2ans s VAL 80 Ca 0.12 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 2ans s VAL 80 Cb -0.22 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2ans s VAL 80 CO 0.09 -0.25 0.09 -0.54 -0.31 0.00 0.00 175.10 174.18 2ans s LYS 81 N -3.65 3.37 0.24 4.82 3.01 -0.34 -1.03 119.74 126.15 2ans s LYS 81 Ca 0.33 -0.68 0.07 0.00 -1.01 0.00 0.00 55.97 54.69 2ans s LYS 81 Cb -0.01 -3.40 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 2ans s LYS 81 CO 0.18 -0.34 0.15 -1.12 0.51 0.00 0.00 175.35 174.74 2ans s SER 82 N 1.57 5.36 -0.20 2.83 0.01 0.26 -1.27 113.70 122.26 2ans s SER 82 Ca 0.05 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 56.94 2ans s SER 82 Cb -0.16 -1.32 0.09 0.00 0.21 0.00 0.00 66.02 64.84 2ans s SER 82 CO 0.04 -0.01 0.43 -0.51 0.41 0.00 0.00 173.24 173.60 2ans s ILE 83 N -2.09 -0.66 -0.15 1.44 1.10 -0.84 -1.19 121.20 118.80 2ans s ILE 83 Ca 0.32 0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 2ans s ILE 83 Cb -0.08 -0.69 -0.00 0.00 0.15 0.00 0.00 42.46 41.84 2ans s ILE 83 CO 0.24 0.07 -0.14 -0.63 -2.11 0.00 0.00 174.94 172.36 2ans s ILE 84 N 2.61 2.77 0.16 2.00 1.01 -1.26 -1.09 121.20 127.41 2ans s ILE 84 Ca -0.02 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 59.98 2ans s ILE 84 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2ans s ILE 84 CO -0.13 0.51 -0.19 0.42 0.00 0.00 0.00 174.94 175.55 2ans s THR 85 N 0.74 1.89 -0.81 2.92 -4.23 -0.23 -0.02 115.64 115.90 2ans s THR 85 Ca -0.06 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 58.38 2ans s THR 85 Cb -0.15 -1.86 0.16 0.00 1.34 0.00 0.00 72.50 71.99 2ans s THR 85 CO 0.01 -0.26 0.88 -0.22 -0.54 0.00 0.00 174.62 174.49 2ans s LEU 86 N -2.60 5.87 -0.22 4.79 2.96 -1.26 0.02 118.68 128.23 2ans s LEU 86 Ca 0.16 -2.19 -0.05 0.00 -0.22 0.00 0.00 54.13 51.83 2ans s LEU 86 Cb -0.06 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2ans s LEU 86 CO 0.07 -0.86 -0.00 -0.62 -1.32 0.00 0.00 176.35 173.61 2ans s ASP 87 N 3.01 4.65 -1.42 3.68 -1.08 0.28 -4.63 116.67 121.16 2ans s ASP 87 Ca 0.22 -0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 51.85 2ans s ASP 87 Cb -0.11 -1.81 0.06 0.00 -1.46 0.00 0.00 42.92 39.59 2ans s ASP 87 CO -0.06 -0.01 0.65 0.61 0.52 0.00 0.00 175.17 176.88 2ans n GLY 88 N 4.72 -0.50 2.50 2.66 0.00 -1.26 -0.57 105.19 112.75 2ans n GLY 88 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.40 0.51 3.25 -0.02 0.00 -1.26 -5.01 105.19 101.26 2ans n GLY 89 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.26 1.94 -0.23 4.61 0.00 0.26 -4.71 121.76 121.38 2ans s ALA 90 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 2ans s ALA 90 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2ans s ALA 90 CO 0.00 0.43 1.35 -0.51 0.00 0.00 0.00 175.76 177.03 2ans s LEU 91 N -0.36 4.02 -0.24 0.00 1.43 -0.74 -0.55 118.68 122.24 2ans s LEU 91 Ca 0.04 1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 54.60 2ans s LEU 91 Cb -0.11 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2ans s LEU 91 CO 0.01 -0.97 -0.04 -0.69 0.23 0.00 0.00 176.35 174.88 2ans s VAL 92 N 4.13 3.22 -0.16 -1.59 1.01 0.10 -0.88 120.40 126.25 2ans s VAL 92 Ca 0.59 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 2ans s VAL 92 Cb -0.20 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2ans s VAL 92 CO 0.21 0.31 -0.01 -1.58 0.00 0.00 0.00 175.10 174.04 2ans s GLN 93 N 1.42 3.70 -0.11 2.72 0.74 -0.06 -1.07 119.66 127.01 2ans s GLN 93 Ca 0.04 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.01 2ans s GLN 93 Cb -0.15 -2.98 -0.00 0.00 1.10 0.00 0.00 33.01 30.97 2ans s GLN 93 CO -0.03 0.29 -0.21 0.08 -0.55 0.00 0.00 175.29 174.87 2ans s VAL 94 N 0.25 2.35 -0.17 1.34 1.01 -0.25 0.17 120.40 125.09 2ans s VAL 94 Ca -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2ans s VAL 94 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2ans s VAL 94 CO 0.02 0.55 -0.14 -1.10 0.00 0.00 0.00 175.10 174.43 2ans s GLN 95 N 0.31 3.19 -0.08 2.72 -0.21 0.22 -2.00 119.66 123.81 2ans s GLN 95 Ca -0.16 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.49 2ans s GLN 95 Cb -0.17 -2.68 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 2ans s GLN 95 CO 0.08 -0.09 -0.12 0.15 -2.12 0.00 0.00 175.29 173.19 2ans s LYS 96 N 1.07 2.84 -0.28 2.91 3.01 -0.40 -1.39 119.74 127.51 2ans s LYS 96 Ca -0.00 -0.66 -0.21 0.00 -1.01 0.00 0.00 55.97 54.09 2ans s LYS 96 Cb -0.14 -2.51 0.12 0.00 -1.01 0.00 0.00 37.83 34.28 2ans s LYS 96 CO -0.04 0.50 0.92 1.67 0.51 0.00 0.00 175.35 178.91 2ans s TRP 97 N -0.41 -0.64 -1.44 3.18 -2.14 -0.83 -1.20 118.94 115.46 2ans s TRP 97 Ca 0.05 1.42 -0.00 0.00 2.66 0.00 0.00 56.10 60.22 2ans s TRP 97 Cb -0.12 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 2ans s TRP 97 CO 0.02 -0.31 0.35 -0.25 -2.66 0.00 0.00 176.95 174.10 2ans n ASP 98 N 3.09 -0.13 0.00 -2.66 8.00 -1.26 -0.83 116.55 122.76 2ans n ASP 98 Ca -0.16 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.29 2ans n ASP 98 Cb 0.57 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.87 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 -2.08 1.73 3.96 0.44 0.00 -1.26 -4.96 105.19 103.03 2ans n GLY 99 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.77 -0.13 1.61 1.02 -0.01 -5.13 119.74 119.87 2ans s LYS 100 Ca 0.00 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.11 2ans s LYS 100 Cb 0.00 -2.53 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 2ans s LYS 100 CO 0.00 -0.51 0.55 0.45 -0.92 0.00 0.00 175.35 174.91 2ans s SER 101 N -4.33 -0.53 0.01 2.83 0.15 -1.26 -1.97 113.70 108.60 2ans s SER 101 Ca 0.53 0.83 0.01 0.00 0.70 0.00 0.00 55.95 58.02 2ans s SER 101 Cb -0.10 0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2ans s SER 101 CO 0.38 -0.35 -0.04 0.28 1.20 0.00 0.00 173.24 174.71 2ans s THR 102 N -0.40 0.28 -0.12 6.45 -1.32 -0.48 -4.75 115.64 115.29 2ans s THR 102 Ca -0.05 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 59.89 2ans s THR 102 Cb -0.03 -0.31 -0.01 0.00 -1.51 0.00 0.00 72.50 70.63 2ans s THR 102 CO 0.04 -0.18 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.22 2ans s THR 103 N -0.72 2.79 -0.33 5.08 2.01 -0.98 -0.61 115.64 122.88 2ans s THR 103 Ca -0.06 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.23 2ans s THR 103 Cb -0.05 -2.15 0.09 0.00 0.01 0.00 0.00 72.50 70.40 2ans s THR 103 CO -0.00 0.53 0.03 -0.63 -0.69 0.00 0.00 174.62 173.86 2ans s ILE 104 N 0.37 2.29 -0.22 1.82 1.01 0.13 -0.69 121.20 125.90 2ans s ILE 104 Ca -0.13 -2.22 -0.14 0.00 0.00 0.00 0.00 60.65 58.16 2ans s ILE 104 Cb -0.16 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2ans s ILE 104 CO 0.06 -0.50 0.34 -0.75 0.00 0.00 0.00 174.94 174.08 2ans s LYS 105 N 0.94 4.12 -0.30 2.79 2.20 0.42 -0.88 119.74 129.04 2ans s LYS 105 Ca 0.08 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2ans s LYS 105 Cb -0.19 -3.56 0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2ans s LYS 105 CO -0.07 -0.05 0.01 1.03 -0.36 0.00 0.00 175.35 175.90 2ans s ARG 106 N 1.36 2.48 0.17 4.03 0.52 -0.06 -0.34 118.95 127.11 2ans s ARG 106 Ca 0.16 -1.24 0.07 0.00 -0.52 0.00 0.00 55.73 54.20 2ans s ARG 106 Cb -0.15 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 2ans s ARG 106 CO 0.07 -0.61 -0.16 -1.59 0.02 0.00 0.00 175.30 173.04 2ans s LYS 107 N 1.27 1.22 -0.06 3.54 -2.85 0.21 -1.78 119.74 121.29 2ans s LYS 107 Ca -0.05 -1.42 -0.13 0.00 -1.00 0.00 0.00 55.97 53.37 2ans s LYS 107 Cb -0.20 -1.13 -0.05 0.00 -2.06 0.00 0.00 37.83 34.40 2ans s LYS 107 CO -0.01 0.21 0.33 1.03 0.10 0.00 0.00 175.35 177.01 2ans s ARG 108 N -3.06 3.87 -0.34 1.78 1.81 -1.26 -0.19 118.95 121.55 2ans s ARG 108 Ca 0.16 0.24 0.01 0.00 -1.72 0.00 0.00 55.73 54.42 2ans s ARG 108 Cb -0.04 -3.25 0.14 0.00 -0.45 0.00 0.00 34.95 31.36 2ans s ARG 108 CO 0.05 0.63 0.30 0.34 -0.68 0.00 0.00 175.30 175.95 2ans s ASP 109 N -0.79 1.84 1.40 0.23 2.15 -0.72 -4.93 116.67 115.85 2ans s ASP 109 Ca 0.21 -1.45 0.00 0.00 0.43 0.00 0.00 52.55 51.74 2ans s ASP 109 Cb -0.15 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2ans s ASP 109 CO 0.10 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 2ans n GLY 110 N 4.58 1.68 0.30 2.66 0.00 -1.26 -2.64 105.19 110.51 2ans n GLY 110 Ca 0.06 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 6.33 0.92 -4.54 1.61 5.75 -1.26 -4.91 116.55 120.45 2ans n ASP 111 Ca 0.00 -1.43 -0.26 0.00 -0.01 0.00 0.00 54.79 53.09 2ans n ASP 111 Cb 0.00 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.94 1.80 -0.24 0.11 -2.85 -1.08 -4.41 119.74 111.13 2ans s LYS 112 Ca 0.37 -1.95 -0.01 0.00 -1.00 0.00 0.00 55.97 53.38 2ans s LYS 112 Cb 0.19 -1.59 0.03 0.00 -2.06 0.00 0.00 37.83 34.39 2ans s LYS 112 CO 0.30 0.08 -0.08 -1.17 0.10 0.00 0.00 175.35 174.58 2ans s LEU 113 N -3.60 3.12 -0.10 2.77 0.20 0.37 -1.75 118.68 119.69 2ans s LEU 113 Ca 0.33 -0.94 -0.13 0.00 0.69 0.00 0.00 54.13 54.07 2ans s LEU 113 Cb 0.04 -1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 44.13 2ans s LEU 113 CO 0.16 -0.13 0.32 -0.69 -0.29 0.00 0.00 176.35 175.73 2ans s VAL 114 N 1.28 5.24 -0.24 1.68 1.01 0.73 -0.21 120.40 129.89 2ans s VAL 114 Ca -0.01 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2ans s VAL 114 Cb -0.17 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2ans s VAL 114 CO -0.06 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 174.74 2ans s VAL 115 N -0.29 1.97 -0.26 2.92 1.01 -0.20 -0.62 120.40 124.93 2ans s VAL 115 Ca 0.19 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 2ans s VAL 115 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2ans s VAL 115 CO 0.08 0.02 0.07 -1.61 0.00 0.00 0.00 175.10 173.66 2ans s GLU 116 N 1.21 3.49 -0.23 2.72 2.02 0.54 -1.12 118.70 127.32 2ans s GLU 116 Ca -0.06 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 2ans s GLU 116 Cb -0.19 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2ans s GLU 116 CO -0.06 -0.26 0.00 0.00 0.02 0.00 0.00 175.26 174.96 2ans s VAL 118 N 1.53 2.33 -0.29 0.00 -7.23 0.13 -1.21 120.40 115.66 2ans s VAL 118 Ca 0.06 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2ans s VAL 118 Cb -0.15 -1.96 0.18 0.00 0.56 0.00 0.00 36.38 35.01 2ans s VAL 118 CO -0.01 0.28 0.55 -0.04 -0.31 0.00 0.00 175.10 175.57 2ans s MET 119 N -1.52 0.52 -1.20 4.82 -1.94 -0.65 -2.32 119.30 117.01 2ans s MET 119 Ca 0.13 0.73 -0.07 0.00 -1.71 0.00 0.00 55.69 54.77 2ans s MET 119 Cb -0.10 0.24 -0.02 0.00 2.01 0.00 0.00 34.83 36.96 2ans s MET 119 CO 0.04 -0.79 0.78 1.63 -0.01 0.00 0.00 175.02 176.68 2ans n LYS 120 N 5.41 -3.35 0.00 2.03 4.76 -1.26 -2.26 118.16 123.50 2ans n LYS 120 Ca 0.01 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 2ans n LYS 120 Cb 0.52 -5.04 0.00 0.00 -1.84 0.00 0.00 35.03 28.66 2ans n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ans n GLY 121 N -1.52 2.67 3.70 0.72 0.00 -1.26 -4.98 105.19 104.53 2ans n GLY 121 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2ans n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ans s VAL 122 N -0.51 4.36 -0.04 1.61 1.01 -0.96 -5.03 120.40 120.84 2ans s VAL 122 Ca 0.00 1.69 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2ans s VAL 122 Cb 0.00 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2ans s VAL 122 CO 0.00 0.09 -0.20 -0.89 0.00 0.00 0.00 175.10 174.11 2ans s THR 123 N 1.36 1.61 -0.10 3.92 2.01 -1.26 -1.63 115.64 121.55 2ans s THR 123 Ca 0.56 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.75 2ans s THR 123 Cb -0.25 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2ans s THR 123 CO 0.27 0.46 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.89 2ans s SER 124 N -0.18 2.88 -0.20 3.53 0.15 -0.35 -4.72 113.70 114.83 2ans s SER 124 Ca 0.00 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.11 2ans s SER 124 Cb -0.11 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2ans s SER 124 CO 0.01 0.12 -0.11 -0.89 1.20 0.00 0.00 173.24 173.58 2ans s THR 125 N 0.48 2.86 -0.17 6.45 2.01 -0.50 -1.41 115.64 125.37 2ans s THR 125 Ca -0.16 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2ans s THR 125 Cb -0.17 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.10 2ans s THR 125 CO 0.06 0.48 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.16 2ans s ARG 126 N 1.28 2.73 -0.16 4.92 0.52 -0.28 -1.13 118.95 126.83 2ans s ARG 126 Ca 0.03 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.36 2ans s ARG 126 Cb -0.14 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 2ans s ARG 126 CO -0.06 -0.23 0.29 0.08 0.02 0.00 0.00 175.30 175.41 2ans s VAL 127 N 1.36 5.31 0.02 3.52 1.01 -0.32 -1.04 120.40 130.25 2ans s VAL 127 Ca 0.05 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.63 2ans s VAL 127 Cb -0.13 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ans s VAL 127 CO -0.12 0.39 -0.16 -0.31 0.00 0.00 0.00 175.10 174.90 2ans s TYR 128 N 0.47 2.63 -0.02 5.22 1.51 0.71 -1.26 117.35 126.61 2ans s TYR 128 Ca 0.16 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.08 2ans s TYR 128 Cb -0.13 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2ans s TYR 128 CO 0.04 0.25 -0.21 -2.00 -1.11 0.00 0.00 175.55 172.52 2ans s GLU 129 N -1.28 1.77 0.25 -0.62 2.12 -0.43 -0.48 118.70 120.02 2ans s GLU 129 Ca 0.14 -0.75 -0.31 0.00 0.36 0.00 0.00 54.97 54.41 2ans s GLU 129 Cb -0.11 -1.68 -0.12 0.00 0.26 0.00 0.00 34.13 32.49 2ans s GLU 129 CO 0.05 0.44 1.65 -2.13 -0.54 0.00 0.00 175.26 174.72 2ans n ARG 130 N 2.62 2.70 0.00 4.30 0.63 -1.26 -0.14 116.66 125.52 2ans n ARG 130 Ca -0.16 0.97 0.11 0.00 -0.92 0.00 0.00 57.85 57.85 2ans n ARG 130 Cb 0.53 -2.78 0.66 0.00 0.45 0.00 0.00 32.46 31.32 2ans n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12