#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9d s ASP 4 N 0.00 4.69 -0.35 3.14 1.01 -1.26 -5.04 116.67 118.86 3h9d s ASP 4 Ca 0.00 -1.00 -0.24 0.00 0.71 0.00 0.00 52.55 52.02 3h9d s ASP 4 Cb 0.00 -0.32 0.01 0.00 1.01 0.00 0.00 42.92 43.62 3h9d s ASP 4 CO 0.00 -0.70 0.84 -0.55 0.21 0.00 0.00 175.17 174.97 3h9d s SER 5 N -4.06 6.63 0.23 0.27 0.15 -1.26 -4.93 113.70 110.73 3h9d s SER 5 Ca 0.42 0.51 -0.07 0.00 0.70 0.00 0.00 55.95 57.51 3h9d s SER 5 Cb 0.00 -2.43 0.29 0.00 -1.71 0.00 0.00 66.02 62.18 3h9d s SER 5 CO 0.24 -0.76 1.84 0.11 1.20 0.00 0.00 173.24 175.87 3h9d h LYS 6 N 8.40 0.87 -0.89 5.44 1.57 -1.98 -2.50 116.57 127.47 3h9d h LYS 6 Ca -0.24 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3h9d h LYS 6 Cb 1.09 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.14 3h9d h LYS 6 CO 0.93 0.58 0.55 -0.92 -0.57 0.00 0.00 179.45 180.02 3h9d h TYR 7 N 0.90 1.02 -0.64 -1.35 3.20 -1.98 -2.07 116.97 116.04 3h9d h TYR 7 Ca 0.35 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.16 3h9d h TYR 7 Cb 0.15 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3h9d h TYR 7 CO -0.04 0.49 0.06 0.87 -1.64 0.00 0.00 178.16 177.90 3h9d h LYS 8 N 0.98 1.10 -0.60 1.82 1.57 -1.74 -2.13 116.57 117.56 3h9d h LYS 8 Ca 0.40 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3h9d h LYS 8 Cb 0.23 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3h9d h LYS 8 CO -0.19 1.03 0.20 0.52 -0.57 0.00 0.00 179.45 180.44 3h9d h MET 9 N 1.01 0.89 -0.02 3.15 2.86 -1.11 -3.23 114.93 118.48 3h9d h MET 9 Ca 0.19 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3h9d h MET 9 Cb 0.50 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3h9d h MET 9 CO 0.02 0.75 -0.30 -1.13 1.06 0.00 0.00 176.91 177.31 3h9d n SER 10 N -4.30 1.99 -4.05 1.22 3.41 -0.82 -4.89 113.62 106.18 3h9d n SER 10 Ca 0.05 -1.49 -0.21 0.00 -0.26 0.00 0.00 58.87 56.96 3h9d n SER 10 Cb 0.19 0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 3h9d n SER 10 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3h9d s HIS 11 N -2.35 1.07 0.36 7.33 3.76 -0.81 -5.08 115.29 119.58 3h9d s HIS 11 Ca 0.23 -0.24 -0.27 0.00 -0.15 0.00 0.00 55.06 54.64 3h9d s HIS 11 Cb 0.19 -0.72 -0.09 0.00 1.11 0.00 0.00 32.58 33.07 3h9d s HIS 11 CO 0.49 -0.06 1.18 0.99 -0.85 0.00 0.00 174.74 176.49 3h9d s THR 12 N -0.08 3.15 0.18 1.30 2.01 -1.26 -4.71 115.64 116.23 3h9d s THR 12 Ca 0.01 1.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.80 3h9d s THR 12 Cb -0.07 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.89 3h9d s THR 12 CO 0.00 0.16 1.56 2.19 -0.69 0.00 0.00 174.62 177.84 3h9d h PHE 13 N 3.01 -1.36 0.00 4.92 -5.15 -1.98 0.30 116.94 116.67 3h9d h PHE 13 Ca -0.48 0.10 0.00 0.00 -0.20 0.00 0.00 57.97 57.38 3h9d h PHE 13 Cb 1.23 0.70 0.00 0.00 0.22 0.00 0.00 35.95 38.10 3h9d h PHE 13 CO 0.56 -0.41 0.00 1.05 -2.00 0.00 0.00 178.31 177.51 3h9d h GLU 14 N -0.15 0.00 0.05 6.09 9.09 -1.99 0.74 114.58 128.42 3h9d h GLU 14 Ca 0.21 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.36 3h9d h GLU 14 Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.65 3h9d h GLU 14 CO -0.79 0.00 -1.08 0.66 0.05 0.00 0.00 179.01 177.85 3h9d h SER 15 N 0.00 0.61 0.08 3.06 4.64 -1.83 -2.73 113.55 117.38 3h9d h SER 15 Ca 0.00 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3h9d h SER 15 Cb 0.76 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3h9d h SER 15 CO 0.00 1.35 -0.04 0.03 -0.87 0.00 0.00 176.83 177.30 3h9d h ARG 16 N 0.22 -0.11 -0.73 4.77 3.08 0.02 -0.51 114.38 121.12 3h9d h ARG 16 Ca -0.12 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3h9d h ARG 16 Cb 1.74 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.78 3h9d h ARG 16 CO 0.19 0.04 0.48 0.37 -1.07 0.00 0.00 179.97 179.98 3h9d h GLN 17 N -0.23 0.96 -0.26 0.04 4.15 -0.94 -0.62 115.11 118.20 3h9d h GLN 17 Ca -0.01 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 3h9d h GLN 17 Cb 0.20 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3h9d h GLN 17 CO 0.02 0.64 -0.31 1.03 -1.93 0.00 0.00 178.83 178.28 3h9d h SER 18 N 0.98 0.54 -0.23 -0.69 0.87 -1.51 -2.78 113.55 110.73 3h9d h SER 18 Ca 0.27 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3h9d h SER 18 Cb -0.11 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3h9d h SER 18 CO -0.06 0.83 -0.04 -0.78 -0.53 0.00 0.00 176.83 176.25 3h9d h ASP 19 N 0.46 0.44 -0.15 6.23 3.58 -0.49 -2.09 116.42 124.39 3h9d h ASP 19 Ca 0.06 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 3h9d h ASP 19 Cb 0.77 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 3h9d h ASP 19 CO 0.06 0.68 0.08 0.00 -2.88 0.00 0.00 179.24 177.19 3h9d h ALA 20 N 0.77 0.19 -0.37 -0.78 0.00 -1.12 -1.33 119.26 116.62 3h9d h ALA 20 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3h9d h ALA 20 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3h9d h ALA 20 CO 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 179.25 178.94 3h9d h ALA 21 N 0.99 1.25 -0.25 0.00 0.00 -1.56 -0.35 119.26 119.35 3h9d h ALA 21 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3h9d h ALA 21 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h9d h ALA 21 CO -0.01 0.50 0.11 0.87 0.00 0.00 0.00 179.25 180.72 3h9d h LYS 22 N 0.56 0.36 -0.59 0.00 1.57 -1.19 -0.98 116.57 116.30 3h9d h LYS 22 Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h9d h LYS 22 Cb 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3h9d h LYS 22 CO 0.02 0.37 0.36 0.28 -0.57 0.00 0.00 179.45 179.91 3h9d h VAL 23 N 0.26 1.17 -0.27 0.50 2.07 -1.08 -0.26 116.25 118.64 3h9d h VAL 23 Ca 0.08 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3h9d h VAL 23 Cb 0.13 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3h9d h VAL 23 CO -0.01 0.17 0.06 0.03 0.02 0.00 0.00 177.57 177.84 3h9d h ARG 24 N 0.79 0.38 0.18 1.57 2.47 -0.88 0.15 114.38 119.04 3h9d h ARG 24 Ca 0.21 -0.05 -0.34 0.00 -1.26 0.00 0.00 59.98 58.54 3h9d h ARG 24 Cb -0.04 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3h9d h ARG 24 CO -0.04 0.36 -1.64 0.93 0.56 0.00 0.00 179.97 180.13 3h9d h GLU 25 N 0.38 0.38 0.00 0.04 5.08 -0.95 -3.15 114.58 116.36 3h9d h GLU 25 Ca 0.09 -0.65 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 3h9d h GLU 25 Cb 0.15 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3h9d h GLU 25 CO -0.00 1.28 -0.43 0.00 -1.00 0.00 0.00 179.01 178.86 3h9d h ARG 26 N 0.10 0.00 -2.43 2.33 3.08 -0.95 -3.39 114.38 113.12 3h9d h ARG 26 Ca -0.30 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.19 3h9d h ARG 26 Cb 2.09 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 31.76 3h9d h ARG 26 CO 0.19 0.43 -0.88 -1.01 -1.07 0.00 0.00 179.97 177.63 3h9d s HIS 27 N -3.94 0.72 0.40 3.04 3.76 0.52 -5.02 115.29 114.77 3h9d s HIS 27 Ca -0.02 -1.79 0.11 0.00 -0.15 0.00 0.00 55.06 53.22 3h9d s HIS 27 Cb 0.13 -0.85 0.83 0.00 1.11 0.00 0.00 32.58 33.81 3h9d s HIS 27 CO 0.72 -0.85 1.92 -1.35 -0.85 0.00 0.00 174.74 174.33 3h9d h PRO 28 N 6.50 0.12 -0.64 8.40 0.11 -1.76 -2.88 132.00 141.86 3h9d h PRO 28 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3h9d h PRO 28 Cb 0.96 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h9d h PRO 28 CO 0.29 0.32 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 3h9d n ASP 29 N -4.25 4.26 -4.07 -2.05 10.43 -1.26 -4.90 116.55 114.71 3h9d n ASP 29 Ca -0.01 -2.45 -0.26 0.00 2.57 0.00 0.00 54.79 54.63 3h9d n ASP 29 Cb 0.29 -0.55 -0.17 0.00 1.84 0.00 0.00 41.12 42.53 3h9d n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3h9d s ARG 30 N -1.93 2.00 -0.09 -1.24 0.52 -1.09 -0.06 118.95 117.08 3h9d s ARG 30 Ca 0.44 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 54.95 3h9d s ARG 30 Cb 0.29 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 3h9d s ARG 30 CO 0.19 0.06 0.47 -0.51 0.02 0.00 0.00 175.30 175.54 3h9d s LEU 31 N 0.58 4.32 -0.40 2.53 1.43 0.29 -4.76 118.68 122.68 3h9d s LEU 31 Ca -0.15 0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 3h9d s LEU 31 Cb -0.16 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.38 3h9d s LEU 31 CO 0.05 0.07 1.38 -2.16 0.23 0.00 0.00 176.35 175.92 3h9d s PRO 32 N 0.25 3.64 -0.08 1.29 0.04 -1.26 -0.50 135.00 138.38 3h9d s PRO 32 Ca 0.26 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.29 3h9d s PRO 32 Cb -0.16 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 3h9d s PRO 32 CO 0.11 -1.49 -0.20 0.42 0.04 0.00 0.00 177.00 175.89 3h9d s ILE 33 N 5.20 2.53 -0.23 0.56 1.09 0.20 -1.44 121.20 129.11 3h9d s ILE 33 Ca 0.60 -0.89 -0.08 0.00 -1.10 0.00 0.00 60.65 59.18 3h9d s ILE 33 Cb -0.14 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 3h9d s ILE 33 CO 0.31 0.56 0.09 -0.63 -0.10 0.00 0.00 174.94 175.17 3h9d s ILE 34 N -0.12 4.62 -0.18 2.92 -1.09 0.59 -0.33 121.20 127.60 3h9d s ILE 34 Ca -0.03 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3h9d s ILE 34 Cb -0.14 -3.14 0.04 0.00 -1.58 0.00 0.00 42.46 37.64 3h9d s ILE 34 CO 0.04 0.36 -0.06 0.00 -1.23 0.00 0.00 174.94 174.05 3h9d s GLU 36 N 1.55 0.91 0.57 0.00 2.02 -0.78 -4.66 118.70 118.32 3h9d s GLU 36 Ca -0.01 -1.03 -0.20 0.00 0.02 0.00 0.00 54.97 53.76 3h9d s GLU 36 Cb -0.16 -0.99 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 3h9d s GLU 36 CO -0.08 0.22 1.24 -1.59 0.02 0.00 0.00 175.26 175.07 3h9d s LYS 37 N -1.82 3.05 0.28 1.61 -2.85 -1.26 -1.64 119.74 117.10 3h9d s LYS 37 Ca 0.01 1.92 -0.30 0.00 -1.00 0.00 0.00 55.97 56.60 3h9d s LYS 37 Cb -0.10 -2.03 -0.10 0.00 -2.06 0.00 0.00 37.83 33.54 3h9d s LYS 37 CO 0.03 -1.16 1.42 0.08 0.10 0.00 0.00 175.35 175.82 3h9d s VAL 38 N -1.51 2.61 0.22 1.79 1.01 0.33 -4.68 120.40 120.16 3h9d s VAL 38 Ca 0.75 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 3h9d s VAL 38 Cb -0.33 -3.34 0.21 0.00 0.00 0.00 0.00 36.38 32.93 3h9d s VAL 38 CO 0.36 0.10 1.57 0.22 0.00 0.00 0.00 175.10 177.35 3h9d h TYR 39 N 4.57 -0.98 -0.01 5.22 3.20 -1.93 -2.37 116.97 124.66 3h9d h TYR 39 Ca -0.47 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3h9d h TYR 39 Cb 1.22 0.56 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3h9d h TYR 39 CO 0.59 -0.40 -0.19 0.27 -1.64 0.00 0.00 178.16 176.79 3h9d n ASN 40 N -5.47 0.94 -4.81 -2.11 0.23 -1.26 -4.92 115.26 97.86 3h9d n ASN 40 Ca 0.08 -0.89 -0.33 0.00 -0.53 0.00 0.00 54.58 52.91 3h9d n ASN 40 Cb 0.39 0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 3h9d n ASN 40 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3h9d s SER 41 N -2.43 6.36 0.00 0.53 1.04 -0.89 -1.02 113.70 117.28 3h9d s SER 41 Ca 0.27 1.82 0.29 0.00 0.48 0.00 0.00 55.95 58.80 3h9d s SER 41 Cb 0.20 -2.54 1.43 0.00 0.10 0.00 0.00 66.02 65.20 3h9d s SER 41 CO 0.49 -0.77 1.95 -0.67 0.98 0.00 0.00 173.24 175.22 3h9d n ASP 42 N -1.23 0.70 -4.79 7.02 2.03 -1.26 -4.87 116.55 114.15 3h9d n ASP 42 Ca 0.08 -1.28 -0.36 0.00 0.52 0.00 0.00 54.79 53.76 3h9d n ASP 42 Cb 0.53 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3h9d n ASP 42 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3h9d s ILE 43 N -1.99 4.22 0.22 5.18 2.07 -1.26 -5.01 121.20 124.63 3h9d s ILE 43 Ca 0.41 1.68 -0.30 0.00 -1.41 0.00 0.00 60.65 61.04 3h9d s ILE 43 Cb 0.21 -3.86 -0.09 0.00 0.13 0.00 0.00 42.46 38.84 3h9d s ILE 43 CO 0.34 -0.00 1.36 -0.83 -1.91 0.00 0.00 174.94 173.89 3h9d s GLY 44 N -1.78 2.42 -0.07 1.50 0.00 -1.26 -4.99 107.32 103.15 3h9d s GLY 44 Ca 0.54 1.19 -0.30 0.00 0.00 0.00 0.00 44.72 46.16 3h9d s GLY 44 CO 0.21 2.14 1.32 1.85 0.00 0.00 0.00 173.10 178.62 3h9d s GLU 45 N -0.27 4.28 -0.34 2.90 2.56 -1.26 -4.89 118.70 121.68 3h9d s GLU 45 Ca 0.57 1.80 -0.05 0.00 0.00 0.00 0.00 54.97 57.29 3h9d s GLU 45 Cb -0.39 -3.66 0.01 0.00 2.00 0.00 0.00 34.13 32.10 3h9d s GLU 45 CO 0.41 -0.59 0.20 1.28 -0.56 0.00 0.00 175.26 176.00 3h9d n LEU 46 N 5.80 -7.75 0.11 2.70 4.77 -1.26 -5.10 117.00 116.27 3h9d n LEU 46 Ca 0.13 1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 57.05 3h9d n LEU 46 Cb 0.45 -3.27 -0.08 0.00 -2.33 0.00 0.00 43.42 38.19 3h9d n LEU 46 CO 0.57 -2.80 0.77 0.44 -1.33 0.00 0.00 177.39 175.04 3h9d h ASP 47 N 2.57 -0.19 0.00 -1.43 3.32 -1.97 -3.39 116.42 115.32 3h9d h ASP 47 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3h9d h ASP 47 Cb 0.34 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3h9d h ASP 47 CO 0.13 -0.06 0.00 0.54 -1.72 0.00 0.00 179.24 178.13 3h9d n ARG 48 N -5.15 0.00 -0.08 3.56 1.74 -1.26 -5.05 116.66 110.41 3h9d n ARG 48 Ca -0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.11 3h9d n ARG 48 Cb 0.14 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.73 3h9d n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h9d s LYS 50 N -1.76 4.24 -0.05 0.00 2.20 -1.26 -0.32 119.74 122.79 3h9d s LYS 50 Ca 0.33 0.20 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 3h9d s LYS 50 Cb 0.21 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3h9d s LYS 50 CO 0.31 0.26 -0.16 -0.06 -0.36 0.00 0.00 175.35 175.33 3h9d s PHE 51 N 0.38 1.67 -0.84 4.03 0.40 0.56 -4.98 117.98 119.19 3h9d s PHE 51 Ca 0.19 -0.53 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3h9d s PHE 51 Cb -0.14 -1.15 0.22 0.00 0.51 0.00 0.00 43.02 42.46 3h9d s PHE 51 CO 0.06 -0.21 0.76 -0.51 0.70 0.00 0.00 175.22 176.02 3h9d s LEU 52 N 0.23 6.20 -0.09 -0.37 1.02 -1.26 -0.63 118.68 123.78 3h9d s LEU 52 Ca -0.08 -3.03 -0.25 0.00 0.02 0.00 0.00 54.13 50.80 3h9d s LEU 52 Cb -0.13 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.96 3h9d s LEU 52 CO 0.03 -0.43 0.77 -0.69 0.02 0.00 0.00 176.35 176.05 3h9d s VAL 53 N -0.35 4.98 0.14 -1.59 1.01 0.35 -4.75 120.40 120.19 3h9d s VAL 53 Ca 0.21 1.56 -0.35 0.00 0.00 0.00 0.00 61.98 63.41 3h9d s VAL 53 Cb -0.12 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 3h9d s VAL 53 CO -0.08 0.17 1.50 -2.65 0.00 0.00 0.00 175.10 174.04 3h9d n PRO 54 N 4.26 1.83 0.16 2.72 -0.02 -1.26 0.11 135.00 142.80 3h9d n PRO 54 Ca 0.01 0.66 0.18 0.00 -2.02 0.00 0.00 63.50 62.33 3h9d n PRO 54 Cb 0.50 -2.39 0.79 0.00 -0.02 0.00 0.00 33.50 32.39 3h9d n PRO 54 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3h9d h SER 55 N 5.46 0.00 -0.01 2.55 4.64 -0.82 -2.35 113.55 123.02 3h9d h SER 55 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3h9d h SER 55 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3h9d h SER 55 CO 0.85 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.91 3h9d n ASP 56 N -3.79 1.15 -4.75 4.97 3.85 -1.26 -3.65 116.55 113.07 3h9d n ASP 56 Ca 0.04 -1.38 -0.41 0.00 -0.71 0.00 0.00 54.79 52.32 3h9d n ASP 56 Cb 0.43 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.17 3h9d n ASP 56 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3h9d s LEU 57 N -2.00 4.43 0.96 -2.12 1.02 -0.88 -4.90 118.68 115.20 3h9d s LEU 57 Ca 0.40 2.51 -0.13 0.00 0.02 0.00 0.00 54.13 56.93 3h9d s LEU 57 Cb 0.21 -3.63 0.17 0.00 0.02 0.00 0.00 46.19 42.96 3h9d s LEU 57 CO 0.34 -0.51 1.14 0.42 0.02 0.00 0.00 176.35 177.76 3h9d s THR 58 N -0.45 1.96 0.27 5.49 -4.23 -1.26 -0.98 115.64 116.44 3h9d s THR 58 Ca 0.53 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 3h9d s THR 58 Cb -0.38 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 70.99 3h9d s THR 58 CO 0.44 0.00 1.89 0.58 -0.54 0.00 0.00 174.62 176.99 3h9d h VAL 59 N -1.71 1.23 -0.18 2.29 2.07 -0.52 -2.28 116.25 117.15 3h9d h VAL 59 Ca -0.51 -0.60 -0.16 0.00 0.82 0.00 0.00 66.70 66.25 3h9d h VAL 59 Cb 1.32 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3h9d h VAL 59 CO 0.57 0.26 -0.56 1.23 0.02 0.00 0.00 177.57 179.09 3h9d h GLY 60 N 1.10 0.60 1.08 2.17 0.00 -1.56 0.33 103.07 106.79 3h9d h GLY 60 Ca 0.26 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3h9d h GLY 60 CO -0.04 0.63 -0.05 1.46 0.00 0.00 0.00 176.54 178.54 3h9d h GLN 61 N 0.42 1.03 -0.66 4.80 4.20 -1.81 -1.33 115.11 121.75 3h9d h GLN 61 Ca 0.00 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 3h9d h GLN 61 Cb 1.11 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 3h9d h GLN 61 CO 0.11 1.04 0.38 0.35 -0.67 0.00 0.00 178.83 180.04 3h9d h PHE 62 N 0.91 0.88 -0.67 2.96 3.57 -1.07 -2.55 116.94 120.97 3h9d h PHE 62 Ca 0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3h9d h PHE 62 Cb 0.62 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3h9d h PHE 62 CO 0.04 0.61 0.37 0.28 -2.23 0.00 0.00 178.31 177.39 3h9d h VAL 63 N 0.90 1.20 -0.82 1.41 2.07 -0.81 -0.93 116.25 119.27 3h9d h VAL 63 Ca 0.23 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3h9d h VAL 63 Cb -0.00 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3h9d h VAL 63 CO -0.04 0.22 0.53 0.28 0.02 0.00 0.00 177.57 178.58 3h9d h SER 64 N 0.93 0.90 0.03 0.57 0.02 -1.05 -0.91 113.55 114.03 3h9d h SER 64 Ca 0.24 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3h9d h SER 64 Cb 0.01 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3h9d h SER 64 CO -0.04 0.64 -0.01 0.58 -1.14 0.00 0.00 176.83 176.85 3h9d h VAL 65 N 1.06 1.14 -0.90 2.27 2.07 -0.95 -3.10 116.25 117.84 3h9d h VAL 65 Ca 0.31 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3h9d h VAL 65 Cb -0.06 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3h9d h VAL 65 CO -0.09 0.13 0.57 0.25 0.02 0.00 0.00 177.57 178.45 3h9d h LEU 66 N -0.26 1.07 -0.62 2.57 7.12 -1.17 -2.91 115.31 121.11 3h9d h LEU 66 Ca -0.00 -0.05 0.05 0.00 0.13 0.00 0.00 57.88 58.01 3h9d h LEU 66 Cb 0.24 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.05 3h9d h LEU 66 CO 0.01 0.80 0.34 -0.09 -0.13 0.00 0.00 178.44 179.36 3h9d h ARG 67 N 1.24 0.61 -0.41 1.25 2.43 -1.09 -0.19 114.38 118.22 3h9d h ARG 67 Ca 0.33 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3h9d h ARG 67 Cb -0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3h9d h ARG 67 CO -0.07 0.41 0.14 0.87 -1.51 0.00 0.00 179.97 179.82 3h9d h LYS 68 N 0.63 0.58 0.01 0.20 1.57 -1.44 0.14 116.57 118.27 3h9d h LYS 68 Ca 0.27 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 3h9d h LYS 68 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3h9d h LYS 68 CO -0.17 0.50 -0.95 0.00 -0.57 0.00 0.00 179.45 178.26 3h9d h ARG 69 N 0.58 0.05 0.00 3.15 2.47 -1.28 -3.31 114.38 116.05 3h9d h ARG 69 Ca 0.14 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3h9d h ARG 69 Cb 0.15 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3h9d h ARG 69 CO -0.01 0.96 -1.16 1.55 0.56 0.00 0.00 179.97 181.86 3h9d n VAL 70 N -3.48 0.07 -3.22 2.04 3.14 -0.17 -4.94 118.33 111.78 3h9d n VAL 70 Ca -0.02 -0.20 -0.17 0.00 -2.96 0.00 0.00 64.34 61.00 3h9d n VAL 70 Cb 0.88 0.43 0.05 0.00 -1.06 0.00 0.00 33.84 34.15 3h9d n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h9d n GLN 71 N -1.84 -5.39 -3.15 1.45 6.02 0.00 -4.77 117.38 109.70 3h9d n GLN 71 Ca 0.02 0.59 -0.39 0.00 -0.01 0.00 0.00 57.00 57.20 3h9d n GLN 71 Cb 0.42 -4.88 -0.05 0.00 1.02 0.00 0.00 30.24 26.74 3h9d n GLN 71 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3h9d s LEU 72 N -5.37 4.25 0.46 1.08 2.96 -1.19 -5.03 118.68 115.84 3h9d s LEU 72 Ca 0.39 0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 55.06 3h9d s LEU 72 Cb -0.17 -2.90 -0.12 0.00 0.50 0.00 0.00 46.19 43.50 3h9d s LEU 72 CO 0.49 -0.13 0.48 1.21 -1.32 0.00 0.00 176.35 177.08 3h9d n GLU 73 N 4.13 0.50 -0.12 1.98 0.00 -1.26 -4.89 120.64 120.98 3h9d n GLU 73 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.32 3h9d n GLU 73 Cb 0.51 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.72 3h9d n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h9d h ALA 74 N 0.59 1.44 -0.05 4.31 0.00 -2.00 -2.67 119.26 120.88 3h9d h ALA 74 Ca -0.42 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 3h9d h ALA 74 Cb 1.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3h9d h ALA 74 CO 0.50 0.45 -0.51 0.93 0.00 0.00 0.00 179.25 180.62 3h9d h GLU 75 N 0.79 0.13 -6.42 0.00 4.39 -2.05 -3.43 114.58 107.99 3h9d h GLU 75 Ca 0.20 -0.08 -0.54 0.00 0.34 0.00 0.00 59.36 59.28 3h9d h GLU 75 Cb 0.06 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3h9d h GLU 75 CO -0.03 0.61 0.52 -1.12 -1.16 0.00 0.00 179.01 177.83 3h9d s SER 76 N -6.88 7.18 0.65 1.42 0.01 -1.01 -5.03 113.70 110.04 3h9d s SER 76 Ca -0.03 1.84 -0.13 0.00 1.31 0.00 0.00 55.95 58.94 3h9d s SER 76 Cb 0.13 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 3h9d s SER 76 CO 0.77 -0.41 1.05 0.00 0.41 0.00 0.00 173.24 175.06 3h9d s ALA 77 N 1.26 2.74 -0.04 1.44 0.00 -1.26 -4.81 121.76 121.09 3h9d s ALA 77 Ca 0.55 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3h9d s ALA 77 Cb -0.25 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3h9d s ALA 77 CO 0.27 -1.00 -0.02 -1.17 0.00 0.00 0.00 175.76 173.85 3h9d s LEU 78 N -5.07 1.18 -0.00 0.00 2.96 -1.26 -3.89 118.68 112.58 3h9d s LEU 78 Ca 0.60 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.52 3h9d s LEU 78 Cb -0.14 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 3h9d s LEU 78 CO 0.47 -0.09 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.79 3h9d s PHE 79 N 1.05 2.34 0.18 5.38 0.40 0.20 -4.98 117.98 122.56 3h9d s PHE 79 Ca -0.09 -0.42 0.11 0.00 -0.60 0.00 0.00 56.93 55.92 3h9d s PHE 79 Cb -0.14 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 3h9d s PHE 79 CO -0.01 0.01 -0.22 0.14 0.70 0.00 0.00 175.22 175.83 3h9d s VAL 80 N -0.66 2.19 0.03 -0.44 -7.23 -1.26 -1.41 120.40 111.61 3h9d s VAL 80 Ca 0.11 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3h9d s VAL 80 Cb -0.10 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 3h9d s VAL 80 CO -0.00 -0.17 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.24 3h9d s TYR 81 N -1.76 0.58 -0.05 2.82 2.02 -0.38 -0.98 117.35 119.59 3h9d s TYR 81 Ca 0.19 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.38 3h9d s TYR 81 Cb -0.07 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 3h9d s TYR 81 CO 0.09 -0.07 0.26 -0.08 -1.57 0.00 0.00 175.55 174.17 3h9d s THR 82 N -1.09 0.04 0.00 -0.71 -1.32 -0.89 -2.01 115.64 109.65 3h9d s THR 82 Ca -0.08 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 3h9d s THR 82 Cb -0.08 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 3h9d s THR 82 CO 0.00 -0.16 0.00 -3.20 -2.21 0.00 0.00 174.62 169.05 3h9d n ASN 83 N 2.07 -4.23 0.00 8.08 4.05 -1.26 -2.48 115.26 121.49 3h9d n ASN 83 Ca -0.18 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.85 3h9d n ASN 83 Cb 0.57 -2.87 0.00 0.00 1.23 0.00 0.00 39.78 38.71 3h9d n ASN 83 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3h9d n ASP 84 N -0.65 -0.72 -4.03 1.20 2.03 -1.26 -5.09 116.55 108.02 3h9d n ASP 84 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 3h9d n ASP 84 Cb 0.33 -0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.46 3h9d n ASP 84 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3h9d s THR 85 N -2.00 0.65 0.36 5.18 -1.32 -1.03 -5.11 115.64 112.36 3h9d s THR 85 Ca 0.00 -0.62 -0.28 0.00 -1.21 0.00 0.00 61.69 59.57 3h9d s THR 85 Cb 0.00 -0.60 -0.11 0.00 -1.51 0.00 0.00 72.50 70.29 3h9d s THR 85 CO 0.00 -0.01 1.41 0.68 -2.21 0.00 0.00 174.62 174.49 3h9d s VAL 86 N -0.60 2.34 -0.08 5.08 -7.23 -1.26 -2.10 120.40 116.55 3h9d s VAL 86 Ca -0.01 0.34 -0.13 0.00 -1.81 0.00 0.00 61.98 60.38 3h9d s VAL 86 Cb -0.05 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 3h9d s VAL 86 CO 0.00 0.08 0.32 -0.76 -0.31 0.00 0.00 175.10 174.43 3h9d s LEU 87 N -1.95 4.38 0.51 1.32 1.43 -0.16 -4.91 118.68 119.30 3h9d s LEU 87 Ca 0.51 0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 3h9d s LEU 87 Cb -0.44 -2.42 -0.07 0.00 0.03 0.00 0.00 46.19 43.29 3h9d s LEU 87 CO 0.59 0.27 1.07 -2.16 0.23 0.00 0.00 176.35 176.34 3h9d s PRO 88 N -0.56 3.64 0.58 1.29 0.04 -1.26 -4.72 135.00 134.01 3h9d s PRO 88 Ca 0.20 1.42 0.37 0.00 0.04 0.00 0.00 61.00 63.03 3h9d s PRO 88 Cb -0.15 -2.06 1.66 0.00 0.04 0.00 0.00 34.50 33.99 3h9d s PRO 88 CO 0.08 -0.57 2.09 1.03 0.04 0.00 0.00 177.00 179.67 3h9d h SER 89 N 1.39 0.00 0.54 6.66 0.87 -1.98 -2.90 113.55 118.14 3h9d h SER 89 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3h9d h SER 89 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3h9d h SER 89 CO 0.58 0.00 -0.65 -1.54 -0.53 0.00 0.00 176.83 174.69 3h9d n SER 90 N -3.08 0.59 -4.69 6.23 3.41 -1.26 -1.59 113.62 113.23 3h9d n SER 90 Ca -0.00 -0.20 -0.37 0.00 -0.26 0.00 0.00 58.87 58.03 3h9d n SER 90 Cb 0.24 0.37 0.06 0.00 -0.26 0.00 0.00 64.21 64.62 3h9d n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h9d n ALA 91 N -1.63 0.85 -2.67 7.33 0.00 -1.09 -4.77 120.51 118.52 3h9d n ALA 91 Ca 0.04 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 3h9d n ALA 91 Cb 0.38 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 3h9d n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h9d s GLN 92 N -3.13 4.19 0.42 0.00 -1.52 -1.26 -0.16 119.66 118.19 3h9d s GLN 92 Ca 0.80 0.30 0.12 0.00 -1.95 0.00 0.00 55.36 54.63 3h9d s GLN 92 Cb -0.39 -3.38 0.96 0.00 -0.22 0.00 0.00 33.01 29.98 3h9d s GLN 92 CO 0.43 0.33 1.97 0.52 -0.25 0.00 0.00 175.29 178.29 3h9d h MET 93 N 6.19 0.48 -0.43 2.91 2.86 -1.31 -1.20 114.93 124.43 3h9d h MET 93 Ca -0.44 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 3h9d h MET 93 Cb 1.18 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 3h9d h MET 93 CO 0.72 0.32 0.09 0.00 1.06 0.00 0.00 176.91 179.09 3h9d h ALA 94 N 1.68 0.57 -0.21 6.32 0.00 -1.77 0.18 119.26 126.03 3h9d h ALA 94 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h9d h ALA 94 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h9d h ALA 94 CO -0.09 0.28 0.10 -0.44 0.00 0.00 0.00 179.25 179.10 3h9d h ASP 95 N 0.57 0.27 -0.59 0.00 3.32 -1.74 -0.14 116.42 118.12 3h9d h ASP 95 Ca 0.13 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3h9d h ASP 95 Cb 0.35 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3h9d h ASP 95 CO 0.01 0.33 0.24 0.40 -1.72 0.00 0.00 179.24 178.49 3h9d h ILE 96 N 0.20 1.23 0.67 0.35 1.08 -1.14 -1.95 117.51 117.95 3h9d h ILE 96 Ca 0.07 -0.70 -0.03 0.00 -0.39 0.00 0.00 64.86 63.82 3h9d h ILE 96 Cb 0.13 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3h9d h ILE 96 CO -0.01 0.27 -0.43 0.22 -0.69 0.00 0.00 178.15 177.51 3h9d h TYR 97 N 0.81 -1.15 -0.79 1.37 3.20 -0.55 -0.02 116.97 119.84 3h9d h TYR 97 Ca 0.20 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.25 3h9d h TYR 97 Cb 0.19 0.41 -0.13 0.00 1.54 0.00 0.00 36.73 38.75 3h9d h TYR 97 CO 0.01 -0.64 0.12 0.77 -1.64 0.00 0.00 178.16 176.78 3h9d h SER 98 N -1.04 -0.15 0.61 -2.11 0.02 -0.95 0.71 113.55 110.64 3h9d h SER 98 Ca -0.08 0.18 -0.28 0.00 -0.84 0.00 0.00 61.79 60.77 3h9d h SER 98 Cb 0.85 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3h9d h SER 98 CO 0.07 -0.14 -1.27 0.50 -1.14 0.00 0.00 176.83 174.86 3h9d h LYS 99 N 0.18 0.28 -0.00 3.45 3.64 -1.32 -3.40 116.57 119.40 3h9d h LYS 99 Ca 0.46 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3h9d h LYS 99 Cb 0.85 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3h9d h LYS 99 CO -0.62 1.22 -0.24 0.66 -2.27 0.00 0.00 179.45 178.19 3h9d n TYR 100 N -3.53 0.00 -1.50 1.91 4.02 -0.03 -5.04 117.16 112.99 3h9d n TYR 100 Ca -0.09 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.33 3h9d n TYR 100 Cb 1.03 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.33 3h9d n TYR 100 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3h9d n LYS 101 N -0.87 0.71 -1.05 -0.72 2.85 0.21 -4.74 118.16 114.54 3h9d n LYS 101 Ca 0.02 0.25 -0.29 0.00 -1.05 0.00 0.00 58.31 57.24 3h9d n LYS 101 Cb 0.11 -1.45 0.19 0.00 -0.65 0.00 0.00 35.03 33.23 3h9d n LYS 101 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3h9d s ASP 102 N -0.74 2.31 0.33 -5.58 2.15 0.17 -4.89 116.67 110.42 3h9d s ASP 102 Ca 0.62 1.25 0.07 0.00 0.43 0.00 0.00 52.55 54.92 3h9d s ASP 102 Cb -0.81 -1.94 0.75 0.00 -0.30 0.00 0.00 42.92 40.62 3h9d s ASP 102 CO 0.58 -3.34 1.83 1.05 -0.17 0.00 0.00 175.17 175.13 3h9d h GLU 103 N -2.03 0.75 -0.00 4.34 4.11 -1.92 -2.10 114.58 117.72 3h9d h GLU 103 Ca -0.56 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.83 3h9d h GLU 103 Cb 1.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3h9d h GLU 103 CO 0.56 0.49 -0.05 -0.40 0.07 0.00 0.00 179.01 179.68 3h9d n ASP 104 N -4.63 0.42 0.00 3.06 5.68 -1.26 -4.92 116.55 114.91 3h9d n ASP 104 Ca 0.20 -0.76 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 3h9d n ASP 104 Cb 0.49 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 3h9d n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h9d n GLY 105 N 1.19 0.26 3.79 6.12 0.00 -0.79 -3.71 105.19 112.05 3h9d n GLY 105 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3h9d n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h9d s PHE 106 N -2.08 3.80 -0.26 1.61 0.40 -1.26 -4.72 117.98 115.47 3h9d s PHE 106 Ca 0.00 1.57 -0.26 0.00 -0.60 0.00 0.00 56.93 57.64 3h9d s PHE 106 Cb 0.00 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.80 3h9d s PHE 106 CO 0.00 0.42 0.92 -1.17 0.70 0.00 0.00 175.22 176.10 3h9d s LEU 107 N -1.52 4.07 -0.33 -0.37 2.96 -0.52 0.45 118.68 123.42 3h9d s LEU 107 Ca 0.40 1.09 -0.19 0.00 -0.22 0.00 0.00 54.13 55.21 3h9d s LEU 107 Cb -0.20 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 3h9d s LEU 107 CO 0.24 -0.63 0.55 -0.31 -1.32 0.00 0.00 176.35 174.88 3h9d s TYR 108 N 3.08 3.20 0.28 5.38 1.51 -1.26 -0.30 117.35 129.23 3h9d s TYR 108 Ca 0.39 0.35 0.11 0.00 -1.01 0.00 0.00 57.07 56.91 3h9d s TYR 108 Cb -0.15 -2.92 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 3h9d s TYR 108 CO 0.09 -0.49 -0.13 -1.64 -1.11 0.00 0.00 175.55 172.27 3h9d s MET 109 N 2.45 1.89 0.22 -0.62 -1.94 0.86 -4.64 119.30 117.52 3h9d s MET 109 Ca 0.21 -1.65 0.07 0.00 -1.71 0.00 0.00 55.69 52.60 3h9d s MET 109 Cb -0.15 -1.90 -0.05 0.00 2.01 0.00 0.00 34.83 34.74 3h9d s MET 109 CO 0.13 0.34 -0.10 0.15 -0.01 0.00 0.00 175.02 175.52 3h9d s LYS 110 N -3.57 1.35 0.04 2.03 1.02 -0.85 -1.87 119.74 117.89 3h9d s LYS 110 Ca 0.31 -1.63 -0.03 0.00 0.02 0.00 0.00 55.97 54.63 3h9d s LYS 110 Cb -0.05 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.23 3h9d s LYS 110 CO 0.17 0.10 0.04 1.52 -0.92 0.00 0.00 175.35 176.27 3h9d s TYR 111 N -3.08 0.31 -0.07 3.18 -0.85 -0.65 -1.25 117.35 114.94 3h9d s TYR 111 Ca 0.24 -0.70 -0.20 0.00 -0.52 0.00 0.00 57.07 55.89 3h9d s TYR 111 Cb 0.01 -0.22 0.04 0.00 0.38 0.00 0.00 41.96 42.17 3h9d s TYR 111 CO 0.07 -0.36 0.45 0.45 -1.52 0.00 0.00 175.55 174.65 3h9d s SER 112 N -2.35 -0.39 0.00 -0.18 0.15 -0.50 -0.51 113.70 109.92 3h9d s SER 112 Ca -0.02 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3h9d s SER 112 Cb 0.01 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3h9d s SER 112 CO -0.06 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.57 3h9d n GLY 113 N 1.57 -0.10 0.04 9.45 0.00 -1.26 -0.63 105.19 114.27 3h9d n GLY 113 Ca -0.19 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.27 3h9d n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h9d n GLU 114 N 0.00 0.18 -3.17 1.61 1.02 -1.25 -4.83 120.64 114.20 3h9d n GLU 114 Ca 0.00 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 3h9d n GLU 114 Cb 0.00 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 3h9d n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h9d s ALA 115 N -3.10 3.44 0.08 0.62 0.00 -1.26 -5.07 121.76 116.47 3h9d s ALA 115 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.11 3h9d s ALA 115 Cb 0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3h9d s ALA 115 CO 0.69 0.08 -0.07 0.95 0.00 0.00 0.00 175.76 177.41 3h9d s THR 116 N 0.12 0.63 -0.06 0.00 -4.23 -1.26 -5.68 115.64 105.15 3h9d s THR 116 Ca 0.32 -1.66 -0.22 0.00 -1.18 0.00 0.00 61.69 58.95 3h9d s THR 116 Cb -0.18 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3h9d s THR 116 CO 0.17 -0.73 0.64 -0.36 -0.54 0.00 0.00 174.62 173.81 3h9d s PHE 117 N -2.94 3.59 -2.51 3.99 0.40 -0.19 -4.91 117.98 115.41 3h9d s PHE 117 Ca 0.05 1.18 0.28 0.00 -0.60 0.00 0.00 56.93 57.84 3h9d s PHE 117 Cb 0.01 -2.73 1.04 0.00 0.51 0.00 0.00 43.02 41.85 3h9d s PHE 117 CO -0.03 0.15 1.74 0.41 0.70 0.00 0.00 175.22 178.18