#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 4.85 0.02 4.39 -0.00 -1.26 -4.95 116.67 119.72 3h9d s ASP 4 Ca 0.00 1.51 -0.30 0.00 -0.00 0.00 0.00 52.55 53.76 3h9d s ASP 4 Cb 0.00 -2.31 -0.07 0.00 -0.00 0.00 0.00 42.92 40.54 3h9d s ASP 4 CO 0.00 -1.77 1.70 -0.55 -0.00 0.00 0.00 175.17 174.55 3h9d s SER 5 N -3.78 6.60 0.35 0.27 0.15 -1.26 -4.91 113.70 111.13 3h9d s SER 5 Ca 0.60 2.42 0.12 0.00 0.70 0.00 0.00 55.95 59.79 3h9d s SER 5 Cb -0.15 -2.55 0.63 0.00 -1.71 0.00 0.00 66.02 62.25 3h9d s SER 5 CO 0.55 -0.92 1.77 0.11 1.20 0.00 0.00 173.24 175.95 3h9d h LYS 6 N 9.09 0.00 -0.05 5.44 1.57 -1.99 -2.92 116.57 127.71 3h9d h LYS 6 Ca -0.42 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 3h9d h LYS 6 Cb 1.20 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3h9d h LYS 6 CO 0.94 0.43 -0.05 -0.92 -0.57 0.00 0.00 179.45 179.28 3h9d h TYR 7 N 0.00 0.16 -0.59 -1.35 3.20 -1.98 -2.79 116.97 113.62 3h9d h TYR 7 Ca -0.00 -0.05 0.11 0.00 3.14 0.00 0.00 58.73 61.92 3h9d h TYR 7 Cb 0.76 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 3h9d h TYR 7 CO 0.00 0.58 0.15 -0.22 -1.64 0.00 0.00 178.16 177.03 3h9d h LYS 8 N -0.31 0.28 -0.94 1.82 3.64 -1.87 -2.78 116.57 116.40 3h9d h LYS 8 Ca 0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3h9d h LYS 8 Cb 0.55 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 3h9d h LYS 8 CO 0.01 0.18 0.63 1.98 -2.27 0.00 0.00 179.45 179.98 3h9d h MET 9 N 0.29 1.24 -0.02 1.90 4.05 -1.50 -3.03 114.93 117.86 3h9d h MET 9 Ca 0.30 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 3h9d h MET 9 Cb 0.43 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3h9d h MET 9 CO -0.37 0.82 -0.06 -1.13 0.23 0.00 0.00 176.91 176.40 3h9d n SER 10 N -4.43 1.65 -4.08 1.39 3.41 -1.06 -4.83 113.62 105.68 3h9d n SER 10 Ca 0.11 -1.47 -0.21 0.00 -0.26 0.00 0.00 58.87 57.04 3h9d n SER 10 Cb 0.01 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.10 1.11 0.44 7.33 3.76 -1.07 -5.09 115.29 119.67 3h9d s HIS 11 Ca 0.34 -0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.81 3h9d s HIS 11 Cb 0.20 -0.72 -0.09 0.00 1.11 0.00 0.00 32.58 33.09 3h9d s HIS 11 CO 0.37 -0.03 1.06 0.95 -0.85 0.00 0.00 174.74 176.24 3h9d s THR 12 N -0.25 3.66 0.20 1.30 -4.23 -1.26 -4.82 115.64 110.24 3h9d s THR 12 Ca 0.04 1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.61 3h9d s THR 12 Cb -0.05 -3.56 0.15 0.00 1.34 0.00 0.00 72.50 70.37 3h9d s THR 12 CO -0.00 -0.08 1.70 0.15 -0.54 0.00 0.00 174.62 175.85 3h9d h PHE 13 N 2.09 0.15 -0.55 3.99 3.57 -1.99 0.41 116.94 124.62 3h9d h PHE 13 Ca -0.49 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.07 3h9d h PHE 13 Cb 1.22 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 3h9d h PHE 13 CO 0.57 -0.04 0.32 1.49 -2.23 0.00 0.00 178.31 178.42 3h9d h GLU 14 N 0.23 0.62 -0.30 1.11 4.81 -1.99 0.29 114.58 119.35 3h9d h GLU 14 Ca 0.29 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3h9d h GLU 14 Cb 0.42 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3h9d h GLU 14 CO -0.39 0.41 -0.24 0.66 -0.73 0.00 0.00 179.01 178.72 3h9d h SER 15 N 0.64 0.58 -0.19 1.04 4.64 -1.83 -2.19 113.55 116.24 3h9d h SER 15 Ca 0.22 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3h9d h SER 15 Cb 0.04 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3h9d h SER 15 CO -0.11 0.81 -0.14 0.03 -0.87 0.00 0.00 176.83 176.55 3h9d h ARG 16 N 0.51 0.44 -0.64 4.77 3.08 -0.34 -1.65 114.38 120.54 3h9d h ARG 16 Ca 0.07 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3h9d h ARG 16 Cb 0.68 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3h9d h ARG 16 CO 0.05 0.76 0.41 0.37 -1.07 0.00 0.00 179.97 180.49 3h9d h GLN 17 N 0.11 0.86 -0.10 0.04 4.15 -0.48 -1.48 115.11 118.20 3h9d h GLN 17 Ca 0.04 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3h9d h GLN 17 Cb 0.66 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3h9d h GLN 17 CO 0.04 0.59 -0.43 0.77 -1.93 0.00 0.00 178.83 177.86 3h9d h SER 18 N 0.87 0.24 0.10 -0.69 0.02 -1.40 -2.51 113.55 110.18 3h9d h SER 18 Ca 0.23 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3h9d h SER 18 Cb -0.06 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3h9d h SER 18 CO -0.05 0.65 -0.05 -0.78 -1.14 0.00 0.00 176.83 175.46 3h9d h ASP 19 N 0.19 -0.11 -0.01 3.07 3.58 -0.98 -2.12 116.42 120.04 3h9d h ASP 19 Ca 0.01 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 3h9d h ASP 19 Cb 0.85 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 3h9d h ASP 19 CO 0.07 0.26 -0.03 0.00 -2.88 0.00 0.00 179.24 176.65 3h9d h ALA 20 N 0.34 1.76 0.07 -0.78 0.00 -1.25 -1.57 119.26 117.83 3h9d h ALA 20 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 3h9d h ALA 20 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3h9d h ALA 20 CO 0.02 0.18 -1.22 0.00 0.00 0.00 0.00 179.25 178.24 3h9d h ALA 21 N 1.83 0.25 0.00 0.00 0.00 -1.45 -2.89 119.26 117.01 3h9d h ALA 21 Ca 0.03 -0.96 -0.07 0.00 0.00 0.00 0.00 54.91 53.91 3h9d h ALA 21 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h9d h ALA 21 CO 0.01 1.13 -0.35 -0.22 0.00 0.00 0.00 179.25 179.82 3h9d h LYS 22 N 0.04 0.00 -0.14 0.00 3.64 -0.99 -2.53 116.57 116.60 3h9d h LYS 22 Ca -0.11 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3h9d h LYS 22 Cb 1.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.72 3h9d h LYS 22 CO 0.16 0.35 -0.12 0.28 -2.27 0.00 0.00 179.45 177.86 3h9d h VAL 23 N 0.00 1.34 -0.00 2.00 2.07 -1.26 -2.50 116.25 117.91 3h9d h VAL 23 Ca -0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3h9d h VAL 23 Cb 0.83 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3h9d h VAL 23 CO 0.05 0.37 -0.06 0.54 0.02 0.00 0.00 177.57 178.48 3h9d n ARG 24 N -4.59 0.58 -0.11 1.57 1.74 -1.10 -0.89 116.66 113.87 3h9d n ARG 24 Ca -0.06 -0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 56.68 3h9d n ARG 24 Cb 0.34 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.17 3h9d n ARG 24 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3h9d n GLU 25 N -1.11 0.65 0.08 5.56 0.00 -0.96 -3.81 120.64 121.06 3h9d n GLU 25 Ca 0.15 0.23 -0.22 0.00 0.00 0.00 0.00 57.16 57.32 3h9d n GLU 25 Cb 0.25 -1.56 -0.14 0.00 0.00 0.00 0.00 31.44 29.99 3h9d n GLU 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3h9d h ARG 26 N -0.31 0.52 -3.08 5.31 2.43 -1.47 -3.38 114.38 114.40 3h9d h ARG 26 Ca -0.57 -0.74 -0.62 0.00 -0.81 0.00 0.00 59.98 57.24 3h9d h ARG 26 Cb 1.81 0.25 -0.42 0.00 -0.42 0.00 0.00 29.97 31.20 3h9d h ARG 26 CO -0.15 1.33 -0.55 0.72 -1.51 0.00 0.00 179.97 179.81 3h9d n HIS 27 N -3.90 3.31 0.29 2.20 8.25 -0.07 -4.95 115.22 120.36 3h9d n HIS 27 Ca -0.14 -4.31 0.18 0.00 -0.26 0.00 0.00 57.72 53.18 3h9d n HIS 27 Cb 0.94 -0.65 0.82 0.00 1.12 0.00 0.00 29.99 32.23 3h9d n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3h9d h PRO 28 N 5.38 0.00 -0.00 -0.41 0.13 -1.75 -2.26 132.00 133.09 3h9d h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3h9d h PRO 28 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3h9d h PRO 28 CO 0.73 0.03 -0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 3h9d n ASP 29 N -3.19 0.01 -4.57 1.44 3.85 -1.26 -4.91 116.55 107.91 3h9d n ASP 29 Ca -0.01 -0.88 -0.25 0.00 -0.71 0.00 0.00 54.79 52.94 3h9d n ASP 29 Cb 0.24 -0.04 -0.10 0.00 -1.35 0.00 0.00 41.12 39.87 3h9d n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3h9d s ARG 30 N -2.08 1.90 -0.09 0.11 0.52 -0.85 -1.79 118.95 116.67 3h9d s ARG 30 Ca 0.45 -1.85 0.03 0.00 -0.52 0.00 0.00 55.73 53.84 3h9d s ARG 30 Cb 0.22 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.90 3h9d s ARG 30 CO 0.38 0.16 -0.17 -0.51 0.02 0.00 0.00 175.30 175.19 3h9d s LEU 31 N -3.64 1.81 -0.30 2.53 1.43 0.33 -4.79 118.68 116.06 3h9d s LEU 31 Ca 0.33 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 3h9d s LEU 31 Cb 0.01 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3h9d s LEU 31 CO 0.17 0.07 1.01 -2.16 0.23 0.00 0.00 176.35 175.67 3h9d s PRO 32 N 0.65 4.08 -0.07 1.29 0.04 -1.26 -1.09 135.00 138.64 3h9d s PRO 32 Ca -0.14 1.02 0.05 0.00 0.04 0.00 0.00 61.00 61.98 3h9d s PRO 32 Cb -0.16 -3.72 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 3h9d s PRO 32 CO 0.04 -0.81 -0.24 0.42 0.04 0.00 0.00 177.00 176.45 3h9d s ILE 33 N 3.43 1.99 -0.20 0.56 1.09 0.10 -1.70 121.20 126.47 3h9d s ILE 33 Ca 0.42 -1.01 -0.08 0.00 -1.10 0.00 0.00 60.65 58.88 3h9d s ILE 33 Cb -0.13 -1.70 -0.04 0.00 -1.06 0.00 0.00 42.46 39.53 3h9d s ILE 33 CO 0.13 0.55 0.09 -0.63 -0.10 0.00 0.00 174.94 174.98 3h9d s ILE 34 N 0.07 4.91 -0.24 2.92 -1.09 0.17 0.25 121.20 128.19 3h9d s ILE 34 Ca -0.10 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3h9d s ILE 34 Cb -0.15 -3.24 0.07 0.00 -1.58 0.00 0.00 42.46 37.55 3h9d s ILE 34 CO 0.06 0.42 -0.01 0.00 -1.23 0.00 0.00 174.94 174.18 3h9d s GLU 36 N 1.51 1.14 0.29 0.00 2.02 -0.59 -4.67 118.70 118.40 3h9d s GLU 36 Ca -0.02 -1.21 -0.29 0.00 0.02 0.00 0.00 54.97 53.46 3h9d s GLU 36 Cb -0.18 -1.33 -0.10 0.00 0.10 0.00 0.00 34.13 32.61 3h9d s GLU 36 CO -0.09 0.30 1.34 -1.59 0.02 0.00 0.00 175.26 175.24 3h9d s LYS 37 N -2.14 4.33 -0.02 1.61 -2.85 -1.26 -1.88 119.74 117.54 3h9d s LYS 37 Ca 0.08 2.22 -0.36 0.00 -1.00 0.00 0.00 55.97 56.92 3h9d s LYS 37 Cb -0.09 -3.10 -0.14 0.00 -2.06 0.00 0.00 37.83 32.45 3h9d s LYS 37 CO 0.05 -0.26 1.67 0.28 0.10 0.00 0.00 175.35 177.18 3h9d n VAL 38 N 1.46 0.26 -0.30 1.79 0.31 -0.47 -4.79 118.33 116.59 3h9d n VAL 38 Ca 0.03 -0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.35 3h9d n VAL 38 Cb 0.41 -1.47 0.12 0.00 -0.91 0.00 0.00 33.84 32.00 3h9d n VAL 38 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3h9d h TYR 39 N 7.04 -0.40 -0.91 3.52 3.20 -1.92 -2.44 116.97 125.05 3h9d h TYR 39 Ca -0.47 0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.53 3h9d h TYR 39 Cb 1.29 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.81 3h9d h TYR 39 CO 0.73 -0.36 0.59 -0.91 -1.64 0.00 0.00 178.16 176.58 3h9d h ASN 40 N 0.01 0.93 -4.32 -2.11 2.35 -1.99 -3.47 115.58 106.98 3h9d h ASN 40 Ca 0.42 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.67 3h9d h ASN 40 Cb 0.67 -0.20 0.07 0.00 0.05 0.00 0.00 38.32 38.91 3h9d h ASN 40 CO -0.87 0.61 0.39 -0.94 -1.65 0.00 0.00 177.43 174.97 3h9d s SER 41 N -6.03 5.82 -0.19 5.81 1.04 -0.92 -2.63 113.70 116.60 3h9d s SER 41 Ca -0.12 1.56 0.03 0.00 0.48 0.00 0.00 55.95 57.90 3h9d s SER 41 Cb 0.20 -2.49 0.35 0.00 0.10 0.00 0.00 66.02 64.18 3h9d s SER 41 CO 0.80 -1.14 1.35 -0.67 0.98 0.00 0.00 173.24 174.55 3h9d n ASP 42 N -2.79 3.35 -4.92 7.02 2.03 -1.26 -4.90 116.55 115.09 3h9d n ASP 42 Ca 0.07 -2.69 -0.31 0.00 0.52 0.00 0.00 54.79 52.38 3h9d n ASP 42 Cb 0.54 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.68 5.37 0.39 5.18 2.07 -1.26 -5.05 121.20 126.22 3h9d s ILE 43 Ca 0.27 -0.31 -0.25 0.00 -1.41 0.00 0.00 60.65 58.96 3h9d s ILE 43 Cb 0.22 -3.62 -0.09 0.00 0.13 0.00 0.00 42.46 39.11 3h9d s ILE 43 CO 0.06 0.16 1.05 -0.83 -1.91 0.00 0.00 174.94 173.47 3h9d s GLY 44 N -2.42 2.77 0.43 1.50 0.00 -1.26 -4.98 107.32 103.36 3h9d s GLY 44 Ca 0.35 0.72 -0.22 0.00 0.00 0.00 0.00 44.72 45.57 3h9d s GLY 44 CO 0.26 1.16 0.98 1.85 0.00 0.00 0.00 173.10 177.36 3h9d s GLU 45 N -2.39 4.16 -0.09 2.90 2.56 -1.26 -4.84 118.70 119.73 3h9d s GLU 45 Ca 0.56 1.24 -0.17 0.00 0.00 0.00 0.00 54.97 56.60 3h9d s GLU 45 Cb -0.23 -2.26 -0.05 0.00 2.00 0.00 0.00 34.13 33.59 3h9d s GLU 45 CO 0.29 -0.11 0.45 -0.51 -0.56 0.00 0.00 175.26 174.82 3h9d s LEU 46 N -3.08 4.32 0.25 2.70 1.43 -1.26 -4.97 118.68 118.06 3h9d s LEU 46 Ca 0.62 0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 54.49 3h9d s LEU 46 Cb -0.13 -2.65 0.35 0.00 0.03 0.00 0.00 46.19 43.79 3h9d s LEU 46 CO 0.17 0.08 1.85 0.44 0.23 0.00 0.00 176.35 179.13 3h9d h ASP 47 N 6.26 0.86 -4.18 2.29 3.32 -1.97 -3.36 116.42 119.64 3h9d h ASP 47 Ca -0.43 0.02 -0.64 0.00 0.02 0.00 0.00 57.03 55.99 3h9d h ASP 47 Cb 1.19 -0.16 -0.41 0.00 0.22 0.00 0.00 39.33 40.17 3h9d h ASP 47 CO 0.73 0.55 -0.66 -0.13 -1.72 0.00 0.00 179.24 178.01 3h9d s ARG 48 N -6.06 1.83 0.00 3.56 0.52 -1.26 -4.95 118.95 112.59 3h9d s ARG 48 Ca -0.13 -2.42 0.19 0.00 -0.52 0.00 0.00 55.73 52.85 3h9d s ARG 48 Cb 0.19 -3.27 0.52 0.00 0.52 0.00 0.00 34.95 32.90 3h9d s ARG 48 CO 0.79 -1.07 1.42 0.00 0.02 0.00 0.00 175.30 176.47 3h9d s LYS 50 N -1.44 4.04 -0.07 0.00 2.20 -1.26 0.01 119.74 123.23 3h9d s LYS 50 Ca 0.35 -0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.73 3h9d s LYS 50 Cb 0.19 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3h9d s LYS 50 CO 0.26 0.09 -0.23 -0.06 -0.36 0.00 0.00 175.35 175.05 3h9d s PHE 51 N 0.96 2.50 -0.56 4.03 0.40 0.14 -4.96 117.98 120.48 3h9d s PHE 51 Ca 0.07 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.59 3h9d s PHE 51 Cb -0.13 -1.63 0.14 0.00 0.51 0.00 0.00 43.02 41.91 3h9d s PHE 51 CO 0.03 -0.20 0.46 -0.51 0.70 0.00 0.00 175.22 175.70 3h9d s LEU 52 N -0.13 5.95 -0.24 -0.37 1.02 -1.26 0.02 118.68 123.68 3h9d s LEU 52 Ca -0.04 -2.10 -0.10 0.00 0.02 0.00 0.00 54.13 51.90 3h9d s LEU 52 Cb -0.14 -2.08 -0.05 0.00 0.02 0.00 0.00 46.19 43.94 3h9d s LEU 52 CO 0.04 -0.68 0.15 -0.69 0.02 0.00 0.00 176.35 175.19 3h9d s VAL 53 N 1.08 5.27 -0.07 -1.59 1.01 -0.25 -4.76 120.40 121.10 3h9d s VAL 53 Ca 0.08 0.15 -0.37 0.00 0.00 0.00 0.00 61.98 61.84 3h9d s VAL 53 Cb -0.24 -3.46 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 3h9d s VAL 53 CO -0.01 0.35 1.61 -2.65 0.00 0.00 0.00 175.10 174.40 3h9d n PRO 54 N 4.32 1.44 0.00 2.72 -0.02 -1.26 -0.51 135.00 141.69 3h9d n PRO 54 Ca -0.15 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3h9d n PRO 54 Cb 0.52 -2.23 0.39 0.00 -0.02 0.00 0.00 33.50 32.15 3h9d n PRO 54 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h9d n SER 55 N 4.40 0.00 -0.96 2.55 2.88 -0.74 -1.89 113.62 119.86 3h9d n SER 55 Ca 0.22 -0.34 0.12 0.00 -1.33 0.00 0.00 58.87 57.54 3h9d n SER 55 Cb 0.20 -0.04 0.24 0.00 -0.75 0.00 0.00 64.21 63.85 3h9d n SER 55 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3h9d n ASP 56 N -1.04 2.91 -4.80 -3.46 3.85 -1.26 -4.36 116.55 108.39 3h9d n ASP 56 Ca 0.09 -1.91 -0.36 0.00 -0.71 0.00 0.00 54.79 51.90 3h9d n ASP 56 Cb 0.05 -0.15 -0.06 0.00 -1.35 0.00 0.00 41.12 39.61 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 -1.66 4.33 0.65 -2.12 1.02 -0.79 -4.98 118.68 115.13 3h9d s LEU 57 Ca 0.35 1.64 -0.07 0.00 0.02 0.00 0.00 54.13 56.06 3h9d s LEU 57 Cb 0.21 -3.82 0.03 0.00 0.02 0.00 0.00 46.19 42.62 3h9d s LEU 57 CO 0.30 -0.03 0.98 0.42 0.02 0.00 0.00 176.35 178.05 3h9d s THR 58 N -1.58 3.14 0.18 5.49 -4.23 -1.26 -0.97 115.64 116.42 3h9d s THR 58 Ca 0.47 -0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 3h9d s THR 58 Cb -0.17 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.48 3h9d s THR 58 CO 0.22 -0.33 1.70 0.58 -0.54 0.00 0.00 174.62 176.25 3h9d h VAL 59 N -0.42 0.68 -0.91 2.29 2.07 -0.16 -2.09 116.25 117.73 3h9d h VAL 59 Ca -0.45 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.13 3h9d h VAL 59 Cb 1.28 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3h9d h VAL 59 CO 0.61 0.03 0.58 1.23 0.02 0.00 0.00 177.57 180.05 3h9d h GLY 60 N 0.18 1.31 0.79 2.17 0.00 -1.24 -1.12 103.07 105.17 3h9d h GLY 60 Ca 0.24 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3h9d h GLY 60 CO -0.35 0.14 -0.31 1.46 0.00 0.00 0.00 176.54 177.48 3h9d h GLN 61 N 0.81 0.45 -0.96 4.80 4.20 -1.72 -2.66 115.11 120.03 3h9d h GLN 61 Ca 0.44 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.91 3h9d h GLN 61 Cb 0.56 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 3h9d h GLN 61 CO -0.20 0.91 0.63 0.35 -0.67 0.00 0.00 178.83 179.84 3h9d h PHE 62 N 0.05 1.14 -0.43 2.96 3.57 -0.90 -1.83 116.94 121.50 3h9d h PHE 62 Ca -0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3h9d h PHE 62 Cb 0.91 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3h9d h PHE 62 CO 0.10 0.60 0.22 0.28 -2.23 0.00 0.00 178.31 177.28 3h9d h VAL 63 N 1.12 0.98 -0.84 1.41 2.07 -1.22 0.32 116.25 120.10 3h9d h VAL 63 Ca 0.41 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.85 3h9d h VAL 63 Cb 0.17 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3h9d h VAL 63 CO -0.16 0.08 0.51 0.28 0.02 0.00 0.00 177.57 178.30 3h9d h SER 64 N 0.44 0.78 -0.24 0.57 0.02 -1.04 0.18 113.55 114.27 3h9d h SER 64 Ca 0.18 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3h9d h SER 64 Cb 0.08 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3h9d h SER 64 CO -0.12 0.49 0.02 0.58 -1.14 0.00 0.00 176.83 176.66 3h9d h VAL 65 N 0.91 1.24 -0.88 2.27 2.07 -0.63 -2.97 116.25 118.26 3h9d h VAL 65 Ca 0.38 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3h9d h VAL 65 Cb 0.22 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3h9d h VAL 65 CO -0.19 0.26 0.58 0.25 0.02 0.00 0.00 177.57 178.48 3h9d h LEU 66 N 0.20 0.95 -1.35 2.57 5.85 -0.09 -2.83 115.31 120.61 3h9d h LEU 66 Ca 0.07 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3h9d h LEU 66 Cb 0.36 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3h9d h LEU 66 CO 0.01 0.65 0.34 -0.09 -0.34 0.00 0.00 178.44 179.01 3h9d h ARG 67 N 1.10 0.78 0.00 1.25 2.43 -0.53 -1.25 114.38 118.16 3h9d h ARG 67 Ca 0.35 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3h9d h ARG 67 Cb 0.01 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3h9d h ARG 67 CO -0.10 0.55 -0.03 0.87 -1.51 0.00 0.00 179.97 179.75 3h9d h LYS 68 N 0.79 0.00 0.10 0.20 1.57 -1.34 -2.25 116.57 115.63 3h9d h LYS 68 Ca 0.21 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.62 3h9d h LYS 68 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3h9d h LYS 68 CO -0.04 0.03 -2.06 0.54 -0.57 0.00 0.00 179.45 177.36 3h9d n ARG 69 N -3.91 0.74 0.23 3.15 5.12 -0.54 -4.23 116.66 117.22 3h9d n ARG 69 Ca -0.03 0.24 0.13 0.00 -1.93 0.00 0.00 57.85 56.27 3h9d n ARG 69 Cb 0.12 -1.68 0.32 0.00 -1.16 0.00 0.00 32.46 30.05 3h9d n ARG 69 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3h9d h VAL 70 N 0.06 0.05 -3.01 1.55 -1.51 -1.36 -3.47 116.25 108.56 3h9d h VAL 70 Ca -0.44 -0.92 -0.41 0.00 -1.23 0.00 0.00 66.70 63.70 3h9d h VAL 70 Cb 2.02 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 33.04 3h9d h VAL 70 CO 0.06 0.03 -0.53 0.00 -1.23 0.00 0.00 177.57 175.90 3h9d n GLN 71 N -3.11 -1.84 -2.09 5.19 6.02 -0.85 -4.84 117.38 115.86 3h9d n GLN 71 Ca 0.03 0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 57.59 3h9d n GLN 71 Cb 0.47 -5.63 -0.03 0.00 1.02 0.00 0.00 30.24 26.07 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 -5.92 4.38 -0.16 1.08 0.20 -1.26 -4.92 118.68 112.09 3h9d s LEU 72 Ca 0.02 2.48 -0.41 0.00 0.69 0.00 0.00 54.13 56.91 3h9d s LEU 72 Cb -0.01 -3.60 -0.19 0.00 -0.43 0.00 0.00 46.19 41.97 3h9d s LEU 72 CO 0.02 -0.68 1.39 -0.62 -0.29 0.00 0.00 176.35 176.17 3h9d n GLU 73 N 3.33 0.45 0.11 1.98 4.71 -1.26 -4.79 120.64 125.18 3h9d n GLU 73 Ca 0.10 0.16 0.08 0.00 -0.01 0.00 0.00 57.16 57.49 3h9d n GLU 73 Cb 0.41 -1.73 0.42 0.00 -1.01 0.00 0.00 31.44 29.53 3h9d n GLU 73 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h9d n ALA 74 N 3.07 1.06 0.22 0.62 0.00 -1.26 -0.35 120.51 123.87 3h9d n ALA 74 Ca 0.24 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.92 3h9d n ALA 74 Cb 0.08 -1.23 0.37 0.00 0.00 0.00 0.00 19.45 18.67 3h9d n ALA 74 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3h9d h GLU 75 N 0.00 0.00 -5.88 0.00 4.57 -2.03 -3.45 114.58 107.80 3h9d h GLU 75 Ca 0.00 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.58 3h9d h GLU 75 Cb 0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 3h9d h GLU 75 CO 0.00 0.19 -0.22 -1.12 -1.18 0.00 0.00 179.01 176.68 3h9d s SER 76 N -6.15 6.72 0.66 1.04 0.01 0.53 -5.08 113.70 111.44 3h9d s SER 76 Ca 0.02 0.85 -0.16 0.00 1.31 0.00 0.00 55.95 57.98 3h9d s SER 76 Cb 0.08 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.08 3h9d s SER 76 CO 0.64 0.24 1.18 0.00 0.41 0.00 0.00 173.24 175.71 3h9d s ALA 77 N -0.57 2.37 -0.08 1.44 0.00 -1.26 -4.89 121.76 118.77 3h9d s ALA 77 Ca 0.23 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3h9d s ALA 77 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3h9d s ALA 77 CO 0.11 -1.44 -0.06 -1.17 0.00 0.00 0.00 175.76 173.20 3h9d s LEU 78 N -4.67 1.17 0.10 0.00 2.96 -1.26 -3.83 118.68 113.14 3h9d s LEU 78 Ca 0.73 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 3h9d s LEU 78 Cb -0.27 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 3h9d s LEU 78 CO 0.39 -0.09 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.95 3h9d s PHE 79 N 1.41 2.92 0.11 5.38 0.40 0.20 -4.96 117.98 123.45 3h9d s PHE 79 Ca -0.02 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.32 3h9d s PHE 79 Cb -0.13 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 3h9d s PHE 79 CO -0.04 0.47 -0.17 0.14 0.70 0.00 0.00 175.22 176.32 3h9d s VAL 80 N -1.30 1.50 -0.00 -0.44 -7.23 -1.26 -1.13 120.40 110.53 3h9d s VAL 80 Ca 0.25 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 3h9d s VAL 80 Cb -0.11 -1.50 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 3h9d s VAL 80 CO 0.17 -0.24 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.36 3h9d s TYR 81 N -1.62 0.49 0.06 2.82 2.02 0.24 -0.33 117.35 121.03 3h9d s TYR 81 Ca 0.07 -0.09 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 3h9d s TYR 81 Cb -0.08 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 3h9d s TYR 81 CO 0.04 -0.01 -0.14 0.99 -1.57 0.00 0.00 175.55 174.85 3h9d s THR 82 N -0.11 1.13 -1.64 -0.71 2.01 -0.95 -1.26 115.64 114.11 3h9d s THR 82 Ca 0.02 -1.24 -0.12 0.00 0.31 0.00 0.00 61.69 60.66 3h9d s THR 82 Cb -0.02 -1.07 0.11 0.00 0.01 0.00 0.00 72.50 71.53 3h9d s THR 82 CO -0.00 -0.17 0.55 -3.20 -0.69 0.00 0.00 174.62 171.11 3h9d n ASN 83 N 1.42 -1.72 -0.76 3.53 5.15 -1.26 -1.17 115.26 120.44 3h9d n ASN 83 Ca -0.20 -1.09 -0.10 0.00 -0.60 0.00 0.00 54.58 52.59 3h9d n ASN 83 Cb 0.54 -2.48 -0.04 0.00 -0.53 0.00 0.00 39.78 37.27 3h9d n ASN 83 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3h9d n ASP 84 N -2.74 -5.47 -4.15 1.20 2.03 -1.26 -4.97 116.55 101.19 3h9d n ASP 84 Ca -0.07 0.24 -0.29 0.00 0.52 0.00 0.00 54.79 55.19 3h9d n ASP 84 Cb 0.56 -3.84 -0.17 0.00 -0.72 0.00 0.00 41.12 36.96 3h9d n ASP 84 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3h9d s THR 85 N -1.94 1.72 0.55 5.18 -4.23 -0.32 -5.11 115.64 111.49 3h9d s THR 85 Ca 0.00 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 3h9d s THR 85 Cb 0.00 -1.50 -0.06 0.00 1.34 0.00 0.00 72.50 72.27 3h9d s THR 85 CO 0.00 0.48 1.00 0.55 -0.54 0.00 0.00 174.62 176.12 3h9d n VAL 86 N 3.58 3.30 -4.13 2.29 3.14 -1.26 -2.23 118.33 123.03 3h9d n VAL 86 Ca -0.20 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.32 3h9d n VAL 86 Cb 0.53 -1.19 -0.08 0.00 -1.06 0.00 0.00 33.84 32.03 3h9d n VAL 86 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3h9d s LEU 87 N -1.67 3.93 -0.00 6.55 1.43 0.55 -4.87 118.68 124.60 3h9d s LEU 87 Ca 0.72 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.78 3h9d s LEU 87 Cb -0.45 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3h9d s LEU 87 CO 0.50 0.36 1.04 -2.16 0.23 0.00 0.00 176.35 176.33 3h9d s PRO 88 N -0.77 4.50 0.51 1.29 0.04 -1.26 -4.74 135.00 134.58 3h9d s PRO 88 Ca 0.12 1.51 0.25 0.00 0.04 0.00 0.00 61.00 62.92 3h9d s PRO 88 Cb -0.12 -3.45 1.36 0.00 0.04 0.00 0.00 34.50 32.34 3h9d s PRO 88 CO 0.03 -0.15 1.74 0.66 0.04 0.00 0.00 177.00 179.31 3h9d h SER 89 N 6.87 0.00 0.98 6.66 4.64 -1.98 -0.85 113.55 129.87 3h9d h SER 89 Ca -0.40 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 3h9d h SER 89 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3h9d h SER 89 CO 0.78 0.00 -0.43 0.28 -0.87 0.00 0.00 176.83 176.59 3h9d h SER 90 N 0.00 0.00 -4.12 4.97 0.02 -1.95 -0.04 113.55 112.43 3h9d h SER 90 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3h9d h SER 90 Cb 0.49 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.15 3h9d h SER 90 CO 0.00 0.43 0.45 0.00 -1.14 0.00 0.00 176.83 176.57 3h9d s ALA 91 N -3.44 2.48 -0.19 3.77 0.00 -0.33 -4.78 121.76 119.28 3h9d s ALA 91 Ca 0.01 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.67 3h9d s ALA 91 Cb 0.10 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3h9d s ALA 91 CO 0.70 -1.26 0.70 -0.65 0.00 0.00 0.00 175.76 175.26 3h9d s GLN 92 N -3.50 4.25 0.33 0.00 -1.52 -1.26 0.31 119.66 118.26 3h9d s GLN 92 Ca 0.75 0.76 0.12 0.00 -1.95 0.00 0.00 55.36 55.05 3h9d s GLN 92 Cb -0.29 -3.57 1.02 0.00 -0.22 0.00 0.00 33.01 29.95 3h9d s GLN 92 CO 0.35 -0.27 1.65 0.52 -0.25 0.00 0.00 175.29 177.30 3h9d h MET 93 N 7.41 0.26 0.00 2.91 2.86 -1.29 0.11 114.93 127.19 3h9d h MET 93 Ca -0.31 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3h9d h MET 93 Cb 1.14 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3h9d h MET 93 CO 0.80 0.17 0.00 0.00 1.06 0.00 0.00 176.91 178.94 3h9d h ALA 94 N 1.85 1.00 0.20 6.32 0.00 -1.76 0.28 119.26 127.16 3h9d h ALA 94 Ca 0.70 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.33 3h9d h ALA 94 Cb 1.58 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.40 3h9d h ALA 94 CO -0.64 0.00 -1.24 -0.44 0.00 0.00 0.00 179.25 176.93 3h9d h ASP 95 N 0.00 0.67 -0.82 0.00 3.32 -1.18 -3.22 116.42 115.20 3h9d h ASP 95 Ca 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 57.03 56.10 3h9d h ASP 95 Cb 0.55 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3h9d h ASP 95 CO 0.00 1.59 0.42 0.40 -1.72 0.00 0.00 179.24 179.93 3h9d h ILE 96 N -0.08 1.25 0.04 0.35 1.08 -0.78 -2.63 117.51 116.73 3h9d h ILE 96 Ca -0.22 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 3h9d h ILE 96 Cb 1.95 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.88 3h9d h ILE 96 CO 0.22 0.29 -0.03 0.22 -0.69 0.00 0.00 178.15 178.15 3h9d h TYR 97 N 1.14 -0.08 -0.16 1.37 3.20 -0.60 -1.21 116.97 120.64 3h9d h TYR 97 Ca 0.28 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.01 3h9d h TYR 97 Cb 0.07 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3h9d h TYR 97 CO 0.01 -0.05 -0.51 0.77 -1.64 0.00 0.00 178.16 176.73 3h9d h SER 98 N -0.08 0.49 -0.02 -2.11 0.02 -1.54 0.55 113.55 110.87 3h9d h SER 98 Ca 0.00 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 3h9d h SER 98 Cb 0.07 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3h9d h SER 98 CO -0.01 0.92 -0.22 0.50 -1.14 0.00 0.00 176.83 176.88 3h9d h LYS 99 N 0.35 0.18 -0.25 3.45 3.64 -1.48 -3.39 116.57 119.07 3h9d h LYS 99 Ca 0.01 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3h9d h LYS 99 Cb 1.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3h9d h LYS 99 CO 0.09 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.81 3h9d n TYR 100 N -4.53 0.32 -1.81 1.91 4.01 -0.46 -5.01 117.16 111.59 3h9d n TYR 100 Ca -0.09 -0.25 -0.41 0.00 -0.16 0.00 0.00 57.90 56.99 3h9d n TYR 100 Cb 0.47 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 3h9d n TYR 100 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3h9d s LYS 101 N -1.15 4.13 0.77 -0.72 -2.85 0.18 -4.66 119.74 115.44 3h9d s LYS 101 Ca 0.25 2.55 -0.12 0.00 -1.00 0.00 0.00 55.97 57.65 3h9d s LYS 101 Cb 0.15 -3.01 0.06 0.00 -2.06 0.00 0.00 37.83 32.96 3h9d s LYS 101 CO 0.21 -0.57 1.11 0.34 0.10 0.00 0.00 175.35 176.54 3h9d s ASP 102 N 0.23 4.40 0.44 0.03 -1.08 0.92 -4.91 116.67 116.69 3h9d s ASP 102 Ca 0.59 1.93 0.21 0.00 -0.52 0.00 0.00 52.55 54.76 3h9d s ASP 102 Cb -0.47 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.62 3h9d s ASP 102 CO 0.53 -2.11 1.84 -0.08 0.52 0.00 0.00 175.17 175.88 3h9d h GLU 103 N -0.95 0.32 0.00 4.34 4.57 -1.94 -0.61 114.58 120.31 3h9d h GLU 103 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3h9d h GLU 103 Cb 1.24 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3h9d h GLU 103 CO 0.50 0.21 0.00 -0.40 -1.18 0.00 0.00 179.01 178.15 3h9d n ASP 104 N -4.49 0.00 0.00 1.04 5.68 -1.26 -4.88 116.55 112.65 3h9d n ASP 104 Ca 0.21 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 3h9d n ASP 104 Cb 0.80 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 0.37 0.19 3.85 6.12 0.00 -0.23 -3.85 105.19 111.64 3h9d n GLY 105 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.50 -0.31 1.61 0.40 -1.26 -4.70 117.98 115.22 3h9d s PHE 106 Ca 0.00 1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 57.25 3h9d s PHE 106 Cb 0.00 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.11 3h9d s PHE 106 CO 0.00 0.29 0.34 -1.17 0.70 0.00 0.00 175.22 175.38 3h9d s LEU 107 N -2.48 4.23 -0.29 -0.37 2.96 -0.69 -0.05 118.68 121.98 3h9d s LEU 107 Ca 0.45 -0.01 -0.20 0.00 -0.22 0.00 0.00 54.13 54.15 3h9d s LEU 107 Cb -0.13 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 3h9d s LEU 107 CO 0.20 -0.24 0.61 -0.31 -1.32 0.00 0.00 176.35 175.28 3h9d s TYR 108 N 2.00 3.23 0.15 5.38 1.51 -1.26 -0.66 117.35 127.70 3h9d s TYR 108 Ca 0.12 0.60 0.11 0.00 -1.01 0.00 0.00 57.07 56.89 3h9d s TYR 108 Cb -0.16 -2.93 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 3h9d s TYR 108 CO 0.11 -0.43 -0.25 -1.64 -1.11 0.00 0.00 175.55 172.23 3h9d s MET 109 N 2.54 1.49 0.21 -0.62 -1.94 0.12 -4.60 119.30 116.49 3h9d s MET 109 Ca 0.24 -1.39 0.09 0.00 -1.71 0.00 0.00 55.69 52.93 3h9d s MET 109 Cb -0.15 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 3h9d s MET 109 CO 0.11 0.44 -0.09 0.15 -0.01 0.00 0.00 175.02 175.62 3h9d s LYS 110 N -2.28 2.06 0.05 2.03 -0.14 -0.39 -1.54 119.74 119.53 3h9d s LYS 110 Ca 0.17 -1.37 0.03 0.00 -1.36 0.00 0.00 55.97 53.44 3h9d s LYS 110 Cb -0.09 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 3h9d s LYS 110 CO 0.08 0.40 -0.10 1.52 -0.76 0.00 0.00 175.35 176.49 3h9d s TYR 111 N -1.95 0.85 -0.07 3.18 -0.85 -0.79 -0.59 117.35 117.14 3h9d s TYR 111 Ca 0.27 -0.51 -0.16 0.00 -0.52 0.00 0.00 57.07 56.15 3h9d s TYR 111 Cb -0.08 -0.50 0.03 0.00 0.38 0.00 0.00 41.96 41.80 3h9d s TYR 111 CO 0.16 -0.04 0.38 0.45 -1.52 0.00 0.00 175.55 174.99 3h9d s SER 112 N -1.70 -0.33 0.04 -0.18 0.15 -0.28 -1.37 113.70 110.03 3h9d s SER 112 Ca -0.06 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3h9d s SER 112 Cb -0.09 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3h9d s SER 112 CO 0.01 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3h9d n GLY 113 N 1.83 0.16 0.13 9.45 0.00 -1.26 0.61 105.19 116.12 3h9d n GLY 113 Ca -0.18 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.18 3h9d n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h9d h GLU 114 N 0.00 0.00 -6.33 1.61 5.08 -1.96 -3.45 114.58 109.54 3h9d h GLU 114 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3h9d h GLU 114 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3h9d h GLU 114 CO 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.02 3h9d s ALA 115 N -3.22 3.55 0.01 3.43 0.00 -1.26 -5.07 121.76 119.19 3h9d s ALA 115 Ca 0.05 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 3h9d s ALA 115 Cb 0.09 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.52 3h9d s ALA 115 CO 0.70 0.38 0.20 0.99 0.00 0.00 0.00 175.76 178.04 3h9d s THR 116 N -1.19 0.08 -0.08 0.00 2.01 -1.26 -5.49 115.64 109.70 3h9d s THR 116 Ca 0.32 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 3h9d s THR 116 Cb -0.19 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 3h9d s THR 116 CO 0.20 -0.37 -0.05 -0.26 -0.69 0.00 0.00 174.62 173.45 3h9d h PHE 117 N 3.96 0.00 0.00 4.92 0.04 -1.85 -3.47 116.94 120.54 3h9d h PHE 117 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 3h9d h PHE 117 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3h9d h PHE 117 CO 0.55 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.67