#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpa n LEU 1 N 0.00 3.68 -4.34 0.99 4.77 -1.26 -1.57 117.00 119.27 3gpa n LEU 1 Ca 0.00 1.08 -0.17 0.00 -0.03 0.00 0.00 56.01 56.89 3gpa n LEU 1 Cb 0.00 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 39.47 3gpa n LEU 1 CO 0.00 -0.02 -0.30 -1.10 -1.33 0.00 0.00 177.39 174.65 3gpa s GLN 2 N 0.81 1.40 0.11 3.23 -0.21 -0.62 -4.86 119.66 119.52 3gpa s GLN 2 Ca 0.75 -1.74 0.08 0.00 0.02 0.00 0.00 55.36 54.48 3gpa s GLN 2 Cb -0.57 -0.53 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 3gpa s GLN 2 CO 0.37 -0.17 -0.21 1.03 -2.12 0.00 0.00 175.29 174.18 3gpa s ARG 3 N -3.92 1.15 0.08 2.91 0.52 -1.26 -2.03 118.95 116.40 3gpa s ARG 3 Ca 0.32 -1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 3gpa s ARG 3 Cb 0.07 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 34.10 3gpa s ARG 3 CO 0.11 0.32 0.07 -0.08 0.02 0.00 0.00 175.30 175.75 3gpa s THR 4 N -1.23 0.17 -0.18 0.02 -1.32 -0.70 -4.71 115.64 107.69 3gpa s THR 4 Ca 0.08 -1.57 -0.06 0.00 -1.21 0.00 0.00 61.69 58.93 3gpa s THR 4 Cb -0.10 -1.52 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 3gpa s THR 4 CO 0.05 -0.79 0.02 -0.22 -2.21 0.00 0.00 174.62 171.47 3gpa s LEU 5 N -2.91 3.52 -0.07 9.08 2.96 -1.26 -1.85 118.68 128.14 3gpa s LEU 5 Ca 0.08 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 3gpa s LEU 5 Cb 0.07 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3gpa s LEU 5 CO -0.09 0.14 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.17 3gpa s VAL 6 N 0.53 2.22 -0.10 1.68 1.01 -0.04 -1.72 120.40 123.98 3gpa s VAL 6 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3gpa s VAL 6 Cb -0.13 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3gpa s VAL 6 CO 0.02 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.83 3gpa s LEU 7 N -0.11 2.96 -0.27 3.92 1.43 -0.47 -0.11 118.68 126.03 3gpa s LEU 7 Ca -0.05 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 52.71 3gpa s LEU 7 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3gpa s LEU 7 CO 0.04 0.27 0.51 -0.63 0.23 0.00 0.00 176.35 176.76 3gpa s ILE 8 N -0.23 5.07 0.57 -0.59 -1.09 0.36 -0.78 121.20 124.51 3gpa s ILE 8 Ca 0.02 0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 59.20 3gpa s ILE 8 Cb -0.13 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 3gpa s ILE 8 CO 0.03 0.08 0.92 -0.54 -1.23 0.00 0.00 174.94 174.19 3gpa s LYS 9 N 2.30 3.34 0.54 2.79 1.02 0.04 -2.49 119.74 127.28 3gpa s LYS 9 Ca 0.21 0.34 0.22 0.00 0.02 0.00 0.00 55.97 56.75 3gpa s LYS 9 Cb -0.16 -2.23 1.40 0.00 -0.52 0.00 0.00 37.83 36.32 3gpa s LYS 9 CO 0.09 -0.51 2.09 -1.35 -0.92 0.00 0.00 175.35 174.75 3gpa h PRO 10 N -0.12 0.00 -0.11 -1.68 0.11 -1.84 -0.77 132.00 127.59 3gpa h PRO 10 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3gpa h PRO 10 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3gpa h PRO 10 CO 0.62 0.00 -0.00 0.38 -0.21 0.00 0.00 178.00 178.79 3gpa h ASP 11 N 0.00 0.14 -0.83 -2.05 2.03 -1.91 -1.62 116.42 112.18 3gpa h ASP 11 Ca 0.10 -0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.37 3gpa h ASP 11 Cb 0.44 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 38.86 3gpa h ASP 11 CO -0.00 0.17 0.42 0.00 -1.03 0.00 0.00 179.24 178.80 3gpa h ALA 12 N 1.85 1.07 -0.35 4.15 0.00 -1.40 -0.23 119.26 124.35 3gpa h ALA 12 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3gpa h ALA 12 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gpa h ALA 12 CO 0.00 0.62 -0.19 0.74 0.00 0.00 0.00 179.25 180.41 3gpa h PHE 13 N 1.17 0.87 -0.95 0.00 -1.00 -1.41 0.10 116.94 115.72 3gpa h PHE 13 Ca 0.29 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3gpa h PHE 13 Cb 0.09 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.40 3gpa h PHE 13 CO 0.01 0.96 0.61 1.49 -1.61 0.00 0.00 178.31 179.77 3gpa h GLU 14 N 0.53 1.26 -0.54 1.51 4.22 -1.00 -2.84 114.58 117.72 3gpa h GLU 14 Ca 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3gpa h GLU 14 Cb 0.74 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gpa h GLU 14 CO 0.06 0.85 0.00 0.54 -2.18 0.00 0.00 179.01 178.27 3gpa n ARG 15 N -4.38 2.53 -3.55 1.92 1.74 -0.13 -4.97 116.66 109.83 3gpa n ARG 15 Ca 0.11 -2.35 -0.20 0.00 -0.77 0.00 0.00 57.85 54.64 3gpa n ARG 15 Cb 0.03 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.02 3gpa n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3gpa n SER 16 N 1.47 -3.10 -0.22 0.55 7.64 -0.57 -4.93 113.62 114.45 3gpa n SER 16 Ca 0.21 -0.65 0.03 0.00 1.01 0.00 0.00 58.87 59.48 3gpa n SER 16 Cb 0.59 -4.83 0.07 0.00 -1.01 0.00 0.00 64.21 59.03 3gpa n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gpa n LEU 17 N -4.40 2.39 0.18 -3.43 4.77 0.26 -4.76 117.00 112.01 3gpa n LEU 17 Ca -0.20 -2.23 -0.15 0.00 -0.03 0.00 0.00 56.01 53.41 3gpa n LEU 17 Cb 0.64 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 3gpa n LEU 17 CO 0.64 0.60 0.65 0.58 -1.33 0.00 0.00 177.39 178.53 3gpa h VAL 18 N 0.59 0.31 -0.48 4.08 2.07 -1.92 -1.10 116.25 119.80 3gpa h VAL 18 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3gpa h VAL 18 Cb 0.69 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3gpa h VAL 18 CO 0.01 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.70 3gpa h ALA 19 N -0.09 1.26 -0.06 1.67 0.00 -1.94 -0.56 119.26 119.54 3gpa h ALA 19 Ca -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3gpa h ALA 19 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gpa h ALA 19 CO -0.11 0.51 -0.01 1.49 0.00 0.00 0.00 179.25 181.13 3gpa h GLU 20 N 0.71 0.01 -0.01 0.00 4.57 -1.80 0.23 114.58 118.28 3gpa h GLU 20 Ca 0.16 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3gpa h GLU 20 Cb 0.30 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3gpa h GLU 20 CO 0.00 0.00 0.00 0.82 -1.18 0.00 0.00 179.01 178.66 3gpa h ILE 21 N 0.01 1.16 -0.35 2.32 2.04 -0.88 -2.44 117.51 119.37 3gpa h ILE 21 Ca 0.03 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3gpa h ILE 21 Cb 0.04 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3gpa h ILE 21 CO -0.06 0.13 0.07 0.24 0.00 0.00 0.00 178.15 178.53 3gpa h MET 22 N -0.18 0.51 -0.38 2.37 2.86 -0.99 -2.62 114.93 116.51 3gpa h MET 22 Ca 0.00 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 3gpa h MET 22 Cb 0.20 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3gpa h MET 22 CO -0.00 0.49 -0.13 0.78 1.06 0.00 0.00 176.91 179.10 3gpa h GLY 23 N 0.75 0.74 1.42 8.32 0.00 -0.42 -0.07 103.07 113.81 3gpa h GLY 23 Ca 0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3gpa h GLY 23 CO -0.00 0.51 0.12 3.21 0.00 0.00 0.00 176.54 180.38 3gpa h ARG 24 N 0.62 0.74 0.06 4.80 3.08 -1.05 0.13 114.38 122.75 3gpa h ARG 24 Ca 0.10 -0.14 -0.27 0.00 0.07 0.00 0.00 59.98 59.75 3gpa h ARG 24 Cb 0.58 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.53 3gpa h ARG 24 CO 0.04 0.66 -1.11 0.82 -1.07 0.00 0.00 179.97 179.31 3gpa h ILE 25 N 0.71 1.34 -0.59 2.04 2.04 -1.40 -3.17 117.51 118.49 3gpa h ILE 25 Ca 0.16 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 3gpa h ILE 25 Cb 0.26 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3gpa h ILE 25 CO -0.00 0.75 0.33 -0.08 0.00 0.00 0.00 178.15 179.15 3gpa h GLU 26 N 0.26 0.81 0.00 2.37 4.81 -0.71 -2.69 114.58 119.43 3gpa h GLU 26 Ca -0.14 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3gpa h GLU 26 Cb 1.78 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.00 3gpa h GLU 26 CO 0.21 0.61 0.00 0.87 -0.73 0.00 0.00 179.01 179.97 3gpa h LYS 27 N 0.79 0.00 -0.51 1.92 1.57 -0.78 -1.16 116.57 118.40 3gpa h LYS 27 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3gpa h LYS 27 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3gpa h LYS 27 CO -0.03 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.02 3gpa n LYS 28 N -2.46 2.19 -1.16 3.15 4.81 -1.02 -4.94 118.16 118.73 3gpa n LYS 28 Ca 0.01 -1.82 -0.01 0.00 -0.87 0.00 0.00 58.31 55.63 3gpa n LYS 28 Cb 0.23 -1.40 -0.00 0.00 0.02 0.00 0.00 35.03 33.88 3gpa n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3gpa n ASN 29 N 0.97 -2.77 -4.84 3.14 4.05 -0.44 -5.04 115.26 110.33 3gpa n ASN 29 Ca 0.17 0.01 -0.34 0.00 0.45 0.00 0.00 54.58 54.87 3gpa n ASN 29 Cb 0.43 -0.61 -0.06 0.00 1.23 0.00 0.00 39.78 40.78 3gpa n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gpa s PHE 30 N -2.02 3.54 -0.06 1.20 0.40 -1.18 -4.88 117.98 114.98 3gpa s PHE 30 Ca 0.00 1.18 0.03 0.00 -0.60 0.00 0.00 56.93 57.54 3gpa s PHE 30 Cb 0.00 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 3gpa s PHE 30 CO 0.00 0.29 -0.13 0.15 0.70 0.00 0.00 175.22 176.24 3gpa s LYS 31 N -2.34 2.58 -0.14 0.44 -0.14 -0.15 -4.52 119.74 115.47 3gpa s LYS 31 Ca 0.45 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 3gpa s LYS 31 Cb -0.14 -2.43 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 3gpa s LYS 31 CO 0.20 0.62 1.42 0.42 -0.76 0.00 0.00 175.35 177.24 3gpa s ILE 32 N -0.71 4.00 -0.20 2.17 1.01 -1.26 0.13 121.20 126.33 3gpa s ILE 32 Ca 0.11 1.19 0.10 0.00 0.00 0.00 0.00 60.65 62.05 3gpa s ILE 32 Cb -0.11 -3.81 -0.22 0.00 0.01 0.00 0.00 42.46 38.33 3gpa s ILE 32 CO 0.01 -0.15 0.04 0.52 0.00 0.00 0.00 174.94 175.36 3gpa n VAL 33 N 5.56 1.47 -3.52 2.92 0.31 0.69 -4.93 118.33 120.83 3gpa n VAL 33 Ca 0.15 -0.73 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 3gpa n VAL 33 Cb 0.44 -0.95 -0.04 0.00 -0.91 0.00 0.00 33.84 32.39 3gpa n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gpa s SER 34 N -6.03 -0.45 -0.25 4.52 1.04 -1.18 -4.98 113.70 106.37 3gpa s SER 34 Ca -0.19 -0.03 -0.22 0.00 0.48 0.00 0.00 55.95 55.98 3gpa s SER 34 Cb 0.07 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.80 3gpa s SER 34 CO 0.74 -0.87 0.67 -0.32 0.98 0.00 0.00 173.24 174.44 3gpa s MET 35 N -3.41 0.77 -0.02 4.02 0.00 -1.26 -0.23 119.30 119.17 3gpa s MET 35 Ca -0.00 0.96 0.03 0.00 0.00 0.00 0.00 55.69 56.68 3gpa s MET 35 Cb -0.00 0.35 -0.00 0.00 0.00 0.00 0.00 34.83 35.18 3gpa s MET 35 CO -0.10 -0.10 -0.11 0.15 0.00 0.00 0.00 175.02 174.87 3gpa s LYS 36 N 0.50 0.96 -0.19 4.11 1.02 -0.34 -5.01 119.74 120.79 3gpa s LYS 36 Ca -0.01 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 3gpa s LYS 36 Cb -0.05 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.30 3gpa s LYS 36 CO -0.01 0.20 0.08 0.12 -0.92 0.00 0.00 175.35 174.82 3gpa s PHE 37 N -0.11 3.30 -0.26 3.18 5.36 -1.26 -1.47 117.98 126.72 3gpa s PHE 37 Ca 0.02 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.15 3gpa s PHE 37 Cb -0.06 -2.10 0.05 0.00 -0.34 0.00 0.00 43.02 40.58 3gpa s PHE 37 CO -0.00 0.20 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.29 3gpa s TRP 38 N 0.34 3.20 0.45 10.12 0.52 -0.06 -4.96 118.94 128.54 3gpa s TRP 38 Ca 0.05 -2.11 0.12 0.00 0.02 0.00 0.00 56.10 54.17 3gpa s TRP 38 Cb -0.12 -1.97 1.02 0.00 -1.15 0.00 0.00 33.47 31.24 3gpa s TRP 38 CO -0.00 -0.85 2.05 0.66 0.02 0.00 0.00 176.95 178.83 3gpa h SER 39 N 7.85 0.32 -1.61 2.95 4.64 -1.92 -0.48 113.55 125.32 3gpa h SER 39 Ca -0.23 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3gpa h SER 39 Cb 1.06 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 62.83 3gpa h SER 39 CO 0.50 0.22 -0.32 -0.75 -0.87 0.00 0.00 176.83 175.61 3gpa s LYS 40 N -5.36 0.47 0.23 4.77 2.20 -1.26 -2.75 119.74 118.04 3gpa s LYS 40 Ca -0.07 0.94 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 3gpa s LYS 40 Cb 0.18 0.27 -0.09 0.00 -1.51 0.00 0.00 37.83 36.67 3gpa s LYS 40 CO 0.72 -0.52 1.32 0.00 -0.36 0.00 0.00 175.35 176.51 3gpa s ALA 41 N 2.74 3.53 0.31 3.13 0.00 -1.26 -4.96 121.76 125.25 3gpa s ALA 41 Ca 0.12 1.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 3gpa s ALA 41 Cb -0.14 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 3gpa s ALA 41 CO -0.18 -0.56 1.26 -2.30 0.00 0.00 0.00 175.76 173.98 3gpa n PRO 42 N 2.29 1.96 0.05 0.00 -0.02 -1.26 -4.85 135.00 133.17 3gpa n PRO 42 Ca 0.05 0.69 -0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3gpa n PRO 42 Cb 0.42 -2.24 0.30 0.00 -0.02 0.00 0.00 33.50 31.96 3gpa n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gpa h ARG 43 N 2.79 0.40 -0.05 -0.52 2.43 -1.98 -2.58 114.38 114.87 3gpa h ARG 43 Ca -0.45 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.53 3gpa h ARG 43 Cb 1.29 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3gpa h ARG 43 CO 0.65 0.53 -0.38 -2.95 -1.51 0.00 0.00 179.97 176.32 3gpa h ASN 44 N 0.37 0.10 -0.39 -3.80 -1.07 -1.99 0.50 115.58 109.30 3gpa h ASN 44 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 56.30 56.40 3gpa h ASN 44 Cb 0.46 -0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 36.67 3gpa h ASN 44 CO 0.03 0.47 0.23 -0.07 0.07 0.00 0.00 177.43 178.16 3gpa h LEU 45 N 0.08 0.48 -0.92 6.14 4.07 -1.84 0.18 115.31 123.51 3gpa h LEU 45 Ca 0.01 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 3gpa h LEU 45 Cb 0.71 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3gpa h LEU 45 CO 0.05 0.41 0.06 0.40 -1.08 0.00 0.00 178.44 178.28 3gpa h ILE 46 N 0.51 1.24 -0.28 1.22 1.08 -1.23 -0.22 117.51 119.83 3gpa h ILE 46 Ca 0.14 -0.95 -0.08 0.00 -0.39 0.00 0.00 64.86 63.58 3gpa h ILE 46 Cb 0.02 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3gpa h ILE 46 CO -0.02 0.34 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.30 3gpa h GLU 47 N 0.81 0.59 -0.13 2.37 5.08 -0.67 -0.78 114.58 121.85 3gpa h GLU 47 Ca 0.16 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3gpa h GLU 47 Cb 0.40 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3gpa h GLU 47 CO 0.01 0.84 -0.14 1.96 -1.00 0.00 0.00 179.01 180.68 3gpa h GLN 48 N 0.33 -0.17 -0.89 2.33 4.20 -0.90 0.61 115.11 120.63 3gpa h GLN 48 Ca 0.06 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.89 3gpa h GLN 48 Cb 0.67 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 3gpa h GLN 48 CO 0.04 -0.11 0.53 1.25 -0.67 0.00 0.00 178.83 179.87 3gpa h HIS 49 N -0.17 0.95 -0.47 2.96 2.76 -0.70 -1.39 115.15 119.09 3gpa h HIS 49 Ca 0.09 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3gpa h HIS 49 Cb 0.31 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 3gpa h HIS 49 CO -0.26 0.37 0.04 0.66 -1.30 0.00 0.00 177.93 177.43 3gpa n TYR 50 N -4.71 1.69 -0.10 5.26 4.02 -0.33 -4.70 117.16 118.29 3gpa n TYR 50 Ca 0.16 -0.88 0.23 0.00 -0.01 0.00 0.00 57.90 57.40 3gpa n TYR 50 Cb 0.32 -0.47 0.67 0.00 -0.02 0.00 0.00 39.34 39.85 3gpa n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3gpa h LYS 51 N 2.91 0.07 0.00 -0.72 2.10 0.30 0.56 116.57 121.78 3gpa h LYS 51 Ca 0.04 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3gpa h LYS 51 Cb 1.83 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.14 3gpa h LYS 51 CO 0.43 0.04 0.00 0.39 -2.00 0.00 0.00 179.45 178.31 3gpa n GLU 52 N -4.36 0.08 -0.07 0.07 1.02 -1.26 -1.99 120.64 114.13 3gpa n GLU 52 Ca 0.14 0.42 0.08 0.00 -0.02 0.00 0.00 57.16 57.78 3gpa n GLU 52 Cb 0.74 -1.68 0.11 0.00 -0.02 0.00 0.00 31.44 30.59 3gpa n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gpa n HIS 53 N -1.83 0.19 0.21 -0.32 8.25 0.19 -4.69 115.22 117.23 3gpa n HIS 53 Ca 0.01 -0.14 0.18 0.00 -0.26 0.00 0.00 57.72 57.51 3gpa n HIS 53 Cb 0.12 -0.00 0.84 0.00 1.12 0.00 0.00 29.99 32.07 3gpa n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gpa h SER 54 N 3.11 0.00 -0.02 0.41 4.64 -1.40 -0.16 113.55 120.14 3gpa h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpa h SER 54 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3gpa h SER 54 CO 0.00 0.00 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.25 3gpa n GLU 55 N -3.59 1.99 -2.51 4.77 -0.58 -1.26 -4.90 120.64 114.57 3gpa n GLU 55 Ca 0.02 -1.59 -0.32 0.00 -0.42 0.00 0.00 57.16 54.85 3gpa n GLU 55 Cb 0.38 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.74 3gpa n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gpa s GLN 56 N -2.10 4.00 0.49 3.49 -1.52 -0.07 -4.96 119.66 118.99 3gpa s GLN 56 Ca 0.27 0.97 0.15 0.00 -1.95 0.00 0.00 55.36 54.81 3gpa s GLN 56 Cb 0.20 -2.16 1.17 0.00 -0.22 0.00 0.00 33.01 32.00 3gpa s GLN 56 CO 0.36 -0.21 2.08 0.66 -0.25 0.00 0.00 175.29 177.93 3gpa h SER 57 N 1.15 0.15 0.22 5.90 4.64 -1.93 -2.41 113.55 121.27 3gpa h SER 57 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3gpa h SER 57 Cb 1.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3gpa h SER 57 CO 0.61 0.10 -0.17 0.00 -0.87 0.00 0.00 176.83 176.51 3gpa n TYR 58 N -4.49 0.00 0.06 4.77 0.18 -1.26 -4.56 117.16 111.86 3gpa n TYR 58 Ca 0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.68 3gpa n TYR 58 Cb 0.21 -0.11 -0.06 0.00 -0.38 0.00 0.00 39.34 39.00 3gpa n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3gpa h PHE 59 N 1.22 -1.02 -0.69 -3.48 3.04 -1.66 0.18 116.94 114.53 3gpa h PHE 59 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 3gpa h PHE 59 Cb 0.46 0.45 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 3gpa h PHE 59 CO 0.00 -0.45 0.32 -0.91 -2.02 0.00 0.00 178.31 175.25 3gpa h ASN 60 N -0.53 0.91 -0.55 0.41 2.35 -1.82 -1.50 115.58 114.85 3gpa h ASN 60 Ca 0.05 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3gpa h ASN 60 Cb 0.61 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3gpa h ASN 60 CO -0.28 0.79 0.09 0.44 -1.65 0.00 0.00 177.43 176.81 3gpa h ASP 61 N 0.96 0.90 -0.40 5.81 3.32 -1.74 -0.48 116.42 124.79 3gpa h ASP 61 Ca 0.24 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gpa h ASP 61 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3gpa h ASP 61 CO -0.03 0.91 0.25 0.25 -1.72 0.00 0.00 179.24 178.90 3gpa h LEU 62 N 0.89 0.48 -0.63 1.55 5.85 -0.37 -1.44 115.31 121.64 3gpa h LEU 62 Ca 0.18 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 3gpa h LEU 62 Cb 0.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3gpa h LEU 62 CO 0.01 0.38 -0.15 0.00 -0.34 0.00 0.00 178.44 178.34 3gpa h ASP 64 N 0.81 0.61 -0.37 0.00 3.32 -1.00 -2.25 116.42 117.53 3gpa h ASP 64 Ca 0.12 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3gpa h ASP 64 Cb 0.70 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3gpa h ASP 64 CO 0.05 0.43 0.16 0.15 -1.72 0.00 0.00 179.24 178.31 3gpa h PHE 65 N 0.73 0.30 0.00 4.55 -0.00 -0.87 -2.37 116.94 119.28 3gpa h PHE 65 Ca 0.24 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.22 3gpa h PHE 65 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 35.87 3gpa h PHE 65 CO -0.05 0.14 0.00 0.52 -0.00 0.00 0.00 178.31 178.92 3gpa h MET 66 N 0.34 0.00 -0.13 1.11 2.86 -0.63 -0.47 114.93 118.01 3gpa h MET 66 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3gpa h MET 66 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3gpa h MET 66 CO -0.14 0.00 0.00 1.55 1.06 0.00 0.00 176.91 179.38 3gpa n VAL 67 N -2.83 0.19 1.41 -2.22 3.14 -0.90 -4.51 118.33 112.61 3gpa n VAL 67 Ca -0.01 -0.60 0.12 0.00 -2.96 0.00 0.00 64.34 60.90 3gpa n VAL 67 Cb 0.18 1.21 0.69 0.00 -1.06 0.00 0.00 33.84 34.86 3gpa n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3gpa n SER 68 N 1.04 0.00 -3.03 6.55 3.41 -0.19 -4.84 113.62 116.56 3gpa n SER 68 Ca 0.12 -0.51 0.01 0.00 -0.26 0.00 0.00 58.87 58.23 3gpa n SER 68 Cb 0.47 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 3gpa n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpa n GLY 69 N 0.64 0.45 3.71 5.00 0.00 -1.26 -5.08 105.19 108.65 3gpa n GLY 69 Ca 0.16 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 3gpa n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gpa s PRO 70 N -2.02 1.48 0.10 1.61 0.02 -1.11 -4.56 135.00 130.52 3gpa s PRO 70 Ca 0.21 1.25 -0.02 0.00 0.02 0.00 0.00 61.00 62.46 3gpa s PRO 70 Cb -0.01 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 3gpa s PRO 70 CO 0.01 -2.21 0.05 0.96 -0.33 0.00 0.00 177.00 175.48 3gpa s ILE 71 N -2.79 0.15 -0.08 2.83 -4.36 -0.19 -3.28 121.20 113.48 3gpa s ILE 71 Ca 0.64 -1.77 0.04 0.00 -0.26 0.00 0.00 60.65 59.30 3gpa s ILE 71 Cb -0.20 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.77 3gpa s ILE 71 CO 0.57 -0.70 -0.20 -0.63 0.24 0.00 0.00 174.94 174.23 3gpa s ILE 72 N -3.97 1.75 -0.16 8.37 1.01 -1.04 -0.89 121.20 126.26 3gpa s ILE 72 Ca 0.15 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3gpa s ILE 72 Cb 0.07 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3gpa s ILE 72 CO -0.04 0.49 0.01 -0.94 0.00 0.00 0.00 174.94 174.46 3gpa s SER 73 N 0.36 5.21 -0.02 3.58 1.04 -0.54 -0.48 113.70 122.86 3gpa s SER 73 Ca -0.15 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.30 3gpa s SER 73 Cb -0.16 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 3gpa s SER 73 CO 0.06 0.18 -0.13 -0.63 0.98 0.00 0.00 173.24 173.70 3gpa s ILE 74 N 0.30 1.08 -0.26 -1.02 1.01 0.84 -1.20 121.20 121.96 3gpa s ILE 74 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 3gpa s ILE 74 Cb -0.13 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 3gpa s ILE 74 CO 0.02 0.31 0.15 -0.69 0.00 0.00 0.00 174.94 174.73 3gpa s VAL 75 N -0.21 5.08 -0.02 2.92 1.01 0.67 -0.86 120.40 129.00 3gpa s VAL 75 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3gpa s VAL 75 Cb -0.06 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3gpa s VAL 75 CO -0.00 0.30 0.01 -0.31 0.00 0.00 0.00 175.10 175.10 3gpa s TYR 76 N 1.49 3.12 -0.01 5.22 1.51 -0.77 -0.22 117.35 127.68 3gpa s TYR 76 Ca 0.07 0.12 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 3gpa s TYR 76 Cb -0.15 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 3gpa s TYR 76 CO 0.07 0.47 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.81 3gpa s GLU 77 N -1.45 1.38 0.00 -0.62 2.12 0.12 -1.73 118.70 118.52 3gpa s GLU 77 Ca 0.19 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.87 3gpa s GLU 77 Cb -0.12 -1.35 0.00 0.00 0.26 0.00 0.00 34.13 32.92 3gpa s GLU 77 CO 0.09 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 3gpa n GLY 78 N 2.56 0.34 3.71 -1.50 0.00 -0.86 -0.98 105.19 108.47 3gpa n GLY 78 Ca -0.15 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 3gpa n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gpa n THR 79 N -0.66 0.02 -3.50 2.61 -1.04 -1.26 -1.59 114.28 108.85 3gpa n THR 79 Ca 0.00 -0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3gpa n THR 79 Cb 0.00 -1.94 0.01 0.00 -1.82 0.00 0.00 70.33 66.58 3gpa n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gpa n ASP 80 N 3.88 -4.38 -0.24 8.00 4.64 -0.61 -4.84 116.55 123.01 3gpa n ASP 80 Ca 0.16 -0.51 -0.03 0.00 -1.38 0.00 0.00 54.79 53.03 3gpa n ASP 80 Cb 0.34 -3.57 0.08 0.00 -1.04 0.00 0.00 41.12 36.94 3gpa n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gpa h ALA 81 N 0.97 0.89 0.01 -1.67 0.00 -1.74 -1.47 119.26 116.25 3gpa h ALA 81 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gpa h ALA 81 Cb 1.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gpa h ALA 81 CO 0.59 0.15 -0.01 0.82 0.00 0.00 0.00 179.25 180.81 3gpa h ILE 82 N 0.79 1.00 -0.18 0.00 2.04 -1.88 -1.22 117.51 118.06 3gpa h ILE 82 Ca 0.28 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.97 3gpa h ILE 82 Cb 0.07 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3gpa h ILE 82 CO -0.13 0.01 -0.44 -1.28 0.00 0.00 0.00 178.15 176.31 3gpa h SER 83 N -0.03 0.69 -0.69 1.72 0.87 -1.85 -2.75 113.55 111.52 3gpa h SER 83 Ca -0.00 -0.57 -0.08 0.00 -1.23 0.00 0.00 61.79 59.91 3gpa h SER 83 Cb 0.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 3gpa h SER 83 CO 0.00 1.14 0.12 0.11 -0.53 0.00 0.00 176.83 177.68 3gpa h LYS 84 N 0.28 1.13 -0.04 2.24 1.79 -1.20 -1.76 116.57 119.01 3gpa h LYS 84 Ca -0.01 -0.30 -0.16 0.00 -2.18 0.00 0.00 60.65 58.01 3gpa h LYS 84 Cb 1.05 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 3gpa h LYS 84 CO 0.10 1.02 -0.68 0.82 -1.08 0.00 0.00 179.45 179.63 3gpa h ILE 85 N 1.06 1.43 -0.99 1.86 2.04 -1.29 -1.15 117.51 120.48 3gpa h ILE 85 Ca 0.21 -2.20 0.01 0.00 1.00 0.00 0.00 64.86 63.88 3gpa h ILE 85 Cb 0.43 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 3gpa h ILE 85 CO 0.01 0.64 0.65 0.03 0.00 0.00 0.00 178.15 179.49 3gpa h ARG 86 N 0.12 1.29 -0.34 2.37 2.47 -1.29 0.10 114.38 119.10 3gpa h ARG 86 Ca -0.02 -0.08 -0.14 0.00 -1.26 0.00 0.00 59.98 58.49 3gpa h ARG 86 Cb 1.22 -0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 3gpa h ARG 86 CO 0.10 0.86 -0.35 0.00 0.56 0.00 0.00 179.97 181.13 3gpa h ARG 87 N 1.33 0.78 -0.59 0.04 3.08 -0.92 -1.48 114.38 116.62 3gpa h ARG 87 Ca 0.36 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gpa h ARG 87 Cb -0.15 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3gpa h ARG 87 CO -0.08 1.01 0.30 1.25 -1.07 0.00 0.00 179.97 181.37 3gpa h LEU 88 N 0.65 0.77 -0.12 3.04 5.85 -0.87 -2.74 115.31 121.89 3gpa h LEU 88 Ca 0.06 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3gpa h LEU 88 Cb 0.90 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3gpa h LEU 88 CO 0.08 0.67 -0.10 -0.61 -0.34 0.00 0.00 178.44 178.15 3gpa h GLN 89 N 0.81 -0.10 0.00 1.25 4.15 -0.63 0.03 115.11 120.62 3gpa h GLN 89 Ca 0.21 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3gpa h GLN 89 Cb 0.10 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3gpa h GLN 89 CO -0.03 -0.07 0.00 0.41 -1.93 0.00 0.00 178.83 177.21 3gpa n GLY 90 N -1.24 1.36 3.48 2.39 0.00 -0.57 -1.57 105.19 109.03 3gpa n GLY 90 Ca -0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 3gpa n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpa s ASN 91 N -4.00 0.11 0.00 1.61 2.20 -1.26 -4.80 114.94 108.81 3gpa s ASN 91 Ca 0.00 -1.13 0.18 0.00 -0.94 0.00 0.00 52.86 50.97 3gpa s ASN 91 Cb 0.00 0.55 0.97 0.00 -2.00 0.00 0.00 41.25 40.76 3gpa s ASN 91 CO 0.00 -1.09 1.52 2.30 -2.94 0.00 0.00 177.10 176.89 3gpa n ILE 92 N -0.38 0.31 1.02 0.54 -5.35 -1.26 -1.18 119.36 113.06 3gpa n ILE 92 Ca -0.00 0.08 0.11 0.00 -0.27 0.00 0.00 62.75 62.67 3gpa n ILE 92 Cb 0.63 -0.79 0.04 0.00 -1.74 0.00 0.00 39.64 37.78 3gpa n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gpa n LEU 93 N -1.19 2.18 -3.93 7.28 4.77 -1.26 -4.66 117.00 120.19 3gpa n LEU 93 Ca 0.10 -0.78 -0.30 0.00 -0.03 0.00 0.00 56.01 55.00 3gpa n LEU 93 Cb 0.11 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 3gpa n LEU 93 CO 0.12 0.39 -0.21 -0.89 -1.33 0.00 0.00 177.39 175.48 3gpa s THR 94 N -2.38 2.41 0.63 -5.08 2.01 -0.78 -5.04 115.64 107.42 3gpa s THR 94 Ca 0.21 -3.10 -0.18 0.00 0.31 0.00 0.00 61.69 58.93 3gpa s THR 94 Cb 0.19 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 3gpa s THR 94 CO 0.51 -0.78 1.15 -2.65 -0.69 0.00 0.00 174.62 172.16 3gpa n PRO 95 N 3.32 1.02 0.00 4.92 -0.02 -1.26 -2.60 135.00 140.38 3gpa n PRO 95 Ca 0.05 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3gpa n PRO 95 Cb 0.34 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3gpa n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpa n GLY 96 N 1.08 3.14 3.98 -1.23 0.00 -1.26 -4.92 105.19 105.98 3gpa n GLY 96 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3gpa n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpa s THR 97 N -2.92 3.20 0.10 2.61 -4.23 -1.07 -4.90 115.64 108.43 3gpa s THR 97 Ca 0.00 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.49 3gpa s THR 97 Cb 0.00 -3.16 -0.12 0.00 1.34 0.00 0.00 72.50 70.56 3gpa s THR 97 CO 0.00 -0.10 1.62 0.40 -0.54 0.00 0.00 174.62 176.00 3gpa h ILE 98 N 0.35 0.31 -0.37 2.99 2.04 -1.02 0.25 117.51 122.05 3gpa h ILE 98 Ca -0.43 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3gpa h ILE 98 Cb 1.28 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3gpa h ILE 98 CO 0.52 0.00 -0.23 0.03 0.00 0.00 0.00 178.15 178.47 3gpa h ARG 99 N -0.65 0.74 -0.90 2.37 3.08 -1.52 -1.01 114.38 116.50 3gpa h ARG 99 Ca -0.01 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3gpa h ARG 99 Cb 0.61 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3gpa h ARG 99 CO -0.10 0.91 0.56 0.78 -1.07 0.00 0.00 179.97 181.05 3gpa h GLY 100 N 0.97 1.29 1.38 0.04 0.00 -0.91 -0.61 103.07 105.22 3gpa h GLY 100 Ca 0.09 -0.51 -0.28 0.00 0.00 0.00 0.00 47.33 46.63 3gpa h GLY 100 CO 0.06 0.50 -1.43 -0.55 0.00 0.00 0.00 176.54 175.12 3gpa h ASP 101 N 1.23 0.19 0.00 0.19 3.32 -0.91 -3.40 116.42 117.04 3gpa h ASP 101 Ca 0.33 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3gpa h ASP 101 Cb -0.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3gpa h ASP 101 CO -0.06 1.22 -1.13 0.18 -1.72 0.00 0.00 179.24 177.73 3gpa n LEU 102 N -3.33 0.00 -4.59 1.55 4.77 -0.39 -5.05 117.00 109.97 3gpa n LEU 102 Ca -0.12 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.59 3gpa n LEU 102 Cb 1.02 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.02 3gpa n LEU 102 CO 0.48 0.00 -0.39 0.00 -1.33 0.00 0.00 177.39 176.15 3gpa s ALA 103 N -2.21 3.00 -0.32 -1.18 0.00 -0.25 -5.02 121.76 115.79 3gpa s ALA 103 Ca -0.01 -1.54 0.16 0.00 0.00 0.00 0.00 51.96 50.56 3gpa s ALA 103 Cb 0.02 -0.73 0.44 0.00 0.00 0.00 0.00 23.12 22.85 3gpa s ALA 103 CO 0.13 0.40 1.38 -1.71 0.00 0.00 0.00 175.76 175.96 3gpa n ASN 104 N -0.26 -0.53 -3.87 0.00 5.15 -1.26 -4.71 115.26 109.77 3gpa n ASN 104 Ca -0.09 -2.22 -0.11 0.00 -0.60 0.00 0.00 54.58 51.56 3gpa n ASN 104 Cb 0.57 0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 40.06 3gpa n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3gpa s ASP 105 N -1.98 0.03 0.27 1.20 -1.08 -1.26 -5.04 116.67 108.82 3gpa s ASP 105 Ca 0.16 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 52.09 3gpa s ASP 105 Cb 0.41 0.21 0.34 0.00 -1.46 0.00 0.00 42.92 42.43 3gpa s ASP 105 CO -0.09 -0.39 1.59 -0.29 0.52 0.00 0.00 175.17 176.51 3gpa h ILE 106 N 4.19 1.36 0.00 4.11 2.10 -2.02 -3.39 117.51 123.86 3gpa h ILE 106 Ca -0.31 -2.16 -0.10 0.00 1.08 0.00 0.00 64.86 63.37 3gpa h ILE 106 Cb 1.19 2.19 -0.02 0.00 -1.09 0.00 0.00 36.82 39.10 3gpa h ILE 106 CO 0.41 0.60 -1.30 -1.14 -1.08 0.00 0.00 178.15 175.64 3gpa n ARG 107 N -3.69 0.52 -2.74 2.19 0.63 -1.26 -4.80 116.66 107.50 3gpa n ARG 107 Ca -0.01 0.21 -0.42 0.00 -0.92 0.00 0.00 57.85 56.71 3gpa n ARG 107 Cb 0.63 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 3gpa n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3gpa s GLU 108 N -2.78 3.62 -0.09 -0.14 2.02 -1.26 -4.73 118.70 115.34 3gpa s GLU 108 Ca -0.30 -1.48 0.13 0.00 0.02 0.00 0.00 54.97 53.35 3gpa s GLU 108 Cb 0.06 -5.15 0.26 0.00 0.10 0.00 0.00 34.13 29.40 3gpa s GLU 108 CO 0.42 -2.00 1.13 0.27 0.02 0.00 0.00 175.26 175.11 3gpa n ASN 109 N 7.70 1.38 0.00 -0.19 0.23 -1.26 -4.05 115.26 119.07 3gpa n ASN 109 Ca 0.29 -2.81 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 3gpa n ASN 109 Cb 0.50 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3gpa n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gpa n LEU 110 N -0.69 0.00 -3.78 -4.53 4.77 -1.26 -4.80 117.00 106.71 3gpa n LEU 110 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3gpa n LEU 110 Cb 0.74 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.72 3gpa n LEU 110 CO -0.01 0.00 -0.06 -0.51 -1.33 0.00 0.00 177.39 175.48 3gpa s ILE 111 N -0.02 -0.00 -0.04 -0.08 2.07 -1.26 -0.78 121.20 121.08 3gpa s ILE 111 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3gpa s ILE 111 Cb 0.00 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 3gpa s ILE 111 CO 0.00 0.00 -0.06 -2.28 -1.91 0.00 0.00 174.94 170.69 3gpa s HIS 112 N 0.17 2.94 -0.01 3.50 5.65 0.04 -4.95 115.29 122.63 3gpa s HIS 112 Ca -0.00 0.02 0.01 0.00 0.25 0.00 0.00 55.06 55.33 3gpa s HIS 112 Cb -0.02 -1.68 0.01 0.00 -1.18 0.00 0.00 32.58 29.71 3gpa s HIS 112 CO 0.00 0.36 -0.02 0.00 -0.65 0.00 0.00 174.74 174.43 3gpa s ALA 113 N -0.89 0.26 0.57 1.58 0.00 -1.26 -1.37 121.76 120.65 3gpa s ALA 113 Ca 0.14 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 3gpa s ALA 113 Cb -0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 3gpa s ALA 113 CO 0.04 0.01 0.95 0.43 0.00 0.00 0.00 175.76 177.19 3gpa n SER 114 N 3.41 0.76 -0.18 0.00 7.64 -0.70 -4.94 113.62 119.61 3gpa n SER 114 Ca -0.18 0.84 0.02 0.00 1.01 0.00 0.00 58.87 60.56 3gpa n SER 114 Cb 0.56 -1.37 0.02 0.00 -1.01 0.00 0.00 64.21 62.40 3gpa n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gpa n ASP 115 N -0.50 1.37 -3.79 6.43 5.75 -1.26 -4.71 116.55 119.84 3gpa n ASP 115 Ca 0.13 -1.18 -0.08 0.00 -0.01 0.00 0.00 54.79 53.64 3gpa n ASP 115 Cb 0.46 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 3gpa n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gpa s SER 116 N -0.37 -0.16 0.19 -1.12 1.04 -1.26 -4.96 113.70 107.06 3gpa s SER 116 Ca 0.05 -0.77 -0.09 0.00 0.48 0.00 0.00 55.95 55.62 3gpa s SER 116 Cb 0.04 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.96 3gpa s SER 116 CO 0.06 -1.33 1.71 -0.33 0.98 0.00 0.00 173.24 174.33 3gpa h GLU 117 N 2.07 1.07 0.74 4.02 5.08 -1.97 0.99 114.58 126.59 3gpa h GLU 117 Ca -0.22 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3gpa h GLU 117 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gpa h GLU 117 CO 0.28 0.95 -0.40 -0.44 -1.00 0.00 0.00 179.01 178.40 3gpa h ASP 118 N 1.01 -0.98 -0.59 1.42 3.32 -2.00 -1.34 116.42 117.26 3gpa h ASP 118 Ca 0.21 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.34 3gpa h ASP 118 Cb 0.35 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 3gpa h ASP 118 CO 0.00 -0.65 0.39 0.77 -1.72 0.00 0.00 179.24 178.03 3gpa h SER 119 N -1.05 0.62 0.23 6.45 4.64 -1.93 -1.35 113.55 121.16 3gpa h SER 119 Ca -0.10 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3gpa h SER 119 Cb 0.83 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3gpa h SER 119 CO 0.13 0.43 -0.11 0.00 -0.87 0.00 0.00 176.83 176.41 3gpa h ALA 120 N 1.65 -0.31 -0.22 5.18 0.00 -0.65 0.11 119.26 125.03 3gpa h ALA 120 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3gpa h ALA 120 Cb 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gpa h ALA 120 CO -0.06 -0.60 -0.05 0.28 0.00 0.00 0.00 179.25 178.81 3gpa h VAL 121 N -0.45 0.78 0.00 0.00 2.07 -0.93 -0.49 116.25 117.25 3gpa h VAL 121 Ca -0.03 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3gpa h VAL 121 Cb 0.34 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3gpa h VAL 121 CO 0.05 0.00 -0.00 -0.78 0.02 0.00 0.00 177.57 176.86 3gpa h ASP 122 N 0.00 -0.00 -0.76 0.57 3.58 -1.17 -1.67 116.42 116.97 3gpa h ASP 122 Ca 0.11 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 3gpa h ASP 122 Cb 0.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3gpa h ASP 122 CO -0.22 0.03 0.31 -0.33 -2.88 0.00 0.00 179.24 176.15 3gpa h GLU 123 N -0.03 1.13 -0.78 0.28 5.08 -0.52 -1.08 114.58 118.65 3gpa h GLU 123 Ca -0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3gpa h GLU 123 Cb 0.03 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3gpa h GLU 123 CO 0.00 0.92 0.50 0.82 -1.00 0.00 0.00 179.01 180.24 3gpa h ILE 124 N 1.09 1.21 -0.03 3.13 2.04 -1.01 -2.01 117.51 121.93 3gpa h ILE 124 Ca 0.25 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 3gpa h ILE 124 Cb 0.20 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3gpa h ILE 124 CO -0.02 0.21 -0.45 0.77 0.00 0.00 0.00 178.15 178.65 3gpa h SER 125 N 1.07 0.07 -0.33 1.72 4.64 -0.27 0.26 113.55 120.71 3gpa h SER 125 Ca 0.28 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 3gpa h SER 125 Cb -0.09 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3gpa h SER 125 CO -0.06 0.52 -0.19 0.40 -0.87 0.00 0.00 176.83 176.63 3gpa h ILE 126 N 0.06 1.29 0.00 0.95 2.04 -0.56 -2.75 117.51 118.54 3gpa h ILE 126 Ca 0.00 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.45 3gpa h ILE 126 Cb 0.83 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3gpa h ILE 126 CO 0.06 0.43 -1.42 0.79 0.00 0.00 0.00 178.15 178.01 3gpa n TRP 127 N -4.32 0.75 -3.24 1.37 7.02 -0.84 -4.45 117.44 113.74 3gpa n TRP 127 Ca -0.03 0.23 -0.24 0.00 -1.02 0.00 0.00 57.50 56.44 3gpa n TRP 127 Cb 0.41 -0.93 -0.07 0.00 -2.42 0.00 0.00 31.31 28.30 3gpa n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gpa n PHE 128 N -2.69 1.10 -0.09 -5.99 3.72 0.91 -4.95 117.46 109.48 3gpa n PHE 128 Ca -0.06 -3.79 0.11 0.00 -0.05 0.00 0.00 57.45 53.66 3gpa n PHE 128 Cb 0.70 -0.43 0.48 0.00 -0.94 0.00 0.00 39.48 39.30 3gpa n PHE 128 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3gpa h PRO 129 N 3.87 0.43 0.00 -1.08 0.11 -1.66 -3.41 132.00 130.27 3gpa h PRO 129 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3gpa h PRO 129 Cb 0.81 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3gpa h PRO 129 CO 0.59 0.29 0.00 0.39 -0.21 0.00 0.00 178.00 179.06