#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 s ILE 2 N 0.00 2.11 -0.13 0.00 1.01 -1.26 -4.87 121.20 118.07 3h88 s ILE 2 Ca 0.00 -0.97 0.19 0.00 0.00 0.00 0.00 60.65 59.88 3h88 s ILE 2 Cb 0.00 -1.84 -0.21 0.00 0.01 0.00 0.00 42.46 40.42 3h88 s ILE 2 CO 0.00 0.55 0.57 0.55 0.00 0.00 0.00 174.94 176.61 3h88 n VAL 3 N 3.99 0.80 -3.54 2.92 3.14 0.78 -4.90 118.33 121.52 3h88 n VAL 3 Ca -0.20 -0.65 -0.17 0.00 -2.96 0.00 0.00 64.34 60.36 3h88 n VAL 3 Cb 0.52 -0.40 -0.06 0.00 -1.06 0.00 0.00 33.84 32.83 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3h88 s GLY 4 N -4.82 -0.57 -0.03 7.55 0.00 -1.12 -4.96 107.32 103.38 3h88 s GLY 4 Ca -0.06 1.43 0.02 0.00 0.00 0.00 0.00 44.72 46.11 3h88 s GLY 4 CO 0.84 1.09 -0.07 -2.27 0.00 0.00 0.00 173.10 172.69 3h88 s LEU 5 N -0.91 1.66 -0.00 0.66 2.96 -1.26 -1.40 118.68 120.38 3h88 s LEU 5 Ca -0.09 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3h88 s LEU 5 Cb -0.01 -0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.21 3h88 s LEU 5 CO 0.08 0.02 0.02 -0.83 -1.32 0.00 0.00 176.35 174.32 3h88 s GLY 6 N 0.40 0.04 0.03 7.98 0.00 -0.49 -3.66 107.32 111.63 3h88 s GLY 6 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 3h88 s GLY 6 CO 0.00 -0.11 -0.01 -1.08 0.00 0.00 0.00 173.10 171.91 3h88 s THR 7 N -0.36 0.15 -0.15 0.90 -1.32 -1.26 -0.99 115.64 112.60 3h88 s THR 7 Ca -0.04 -1.21 -0.23 0.00 -1.21 0.00 0.00 61.69 59.00 3h88 s THR 7 Cb -0.03 -0.73 0.06 0.00 -1.51 0.00 0.00 72.50 70.29 3h88 s THR 7 CO -0.00 -0.66 0.59 -0.62 -2.21 0.00 0.00 174.62 171.72 3h88 s ASP 8 N -1.99 -0.59 -0.02 8.08 2.15 -0.62 -4.55 116.67 119.13 3h88 s ASP 8 Ca -0.08 0.95 0.07 0.00 0.43 0.00 0.00 52.55 53.92 3h88 s ASP 8 Cb -0.03 0.93 -0.02 0.00 -0.30 0.00 0.00 42.92 43.50 3h88 s ASP 8 CO -0.04 -0.35 -0.23 -0.51 -0.17 0.00 0.00 175.17 173.87 3h88 s ILE 9 N -0.30 1.83 -0.03 4.11 2.07 -1.26 -1.69 121.20 125.93 3h88 s ILE 9 Ca -0.05 -0.99 0.03 0.00 -1.41 0.00 0.00 60.65 58.23 3h88 s ILE 9 Cb -0.03 -1.52 0.00 0.00 0.13 0.00 0.00 42.46 41.04 3h88 s ILE 9 CO 0.04 0.52 -0.10 0.00 -1.91 0.00 0.00 174.94 173.48 3h88 s ALA 10 N -0.50 0.98 -0.32 1.50 0.00 0.00 -4.99 121.76 118.44 3h88 s ALA 10 Ca 0.08 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 3h88 s ALA 10 Cb -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3h88 s ALA 10 CO -0.00 0.16 0.79 -2.00 0.00 0.00 0.00 175.76 174.71 3h88 s GLU 11 N 0.18 3.91 0.19 0.00 2.12 -1.26 -1.43 118.70 122.41 3h88 s GLU 11 Ca -0.03 0.52 -0.12 0.00 0.36 0.00 0.00 54.97 55.69 3h88 s GLU 11 Cb -0.09 -3.75 0.11 0.00 0.26 0.00 0.00 34.13 30.66 3h88 s GLU 11 CO 0.01 -0.72 1.86 0.82 -0.54 0.00 0.00 175.26 176.68 3h88 h ILE 12 N 5.64 1.17 -0.22 -3.70 2.04 -1.44 -2.42 117.51 118.58 3h88 h ILE 12 Ca -0.24 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.34 3h88 h ILE 12 Cb 1.10 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3h88 h ILE 12 CO 0.89 0.16 0.15 -0.08 0.00 0.00 0.00 178.15 179.27 3h88 h GLU 13 N 0.86 0.16 -0.37 2.37 4.81 -1.92 0.39 114.58 120.88 3h88 h GLU 13 Ca 0.23 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3h88 h GLU 13 Cb -0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3h88 h GLU 13 CO -0.05 0.11 -0.24 0.00 -0.73 0.00 0.00 179.01 178.09 3h88 h ARG 14 N 0.16 0.74 -0.34 1.92 3.08 -1.82 0.12 114.38 118.25 3h88 h ARG 14 Ca 0.09 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 3h88 h ARG 14 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3h88 h ARG 14 CO -0.02 0.91 -0.15 0.28 -1.07 0.00 0.00 179.97 179.93 3h88 h VAL 15 N 0.65 1.29 -0.79 2.04 2.07 -0.92 -2.16 116.25 118.42 3h88 h VAL 15 Ca 0.09 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3h88 h VAL 15 Cb 0.75 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3h88 h VAL 15 CO 0.06 0.41 0.51 -0.33 0.02 0.00 0.00 177.57 178.24 3h88 h GLU 16 N 0.47 0.97 -0.44 1.57 5.08 -0.89 -1.07 114.58 120.28 3h88 h GLU 16 Ca 0.08 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3h88 h GLU 16 Cb 0.68 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3h88 h GLU 16 CO 0.05 0.64 -0.12 0.87 -1.00 0.00 0.00 179.01 179.45 3h88 h LYS 17 N 1.00 0.80 -0.65 2.33 1.57 -0.65 -2.03 116.57 118.94 3h88 h LYS 17 Ca 0.31 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3h88 h LYS 17 Cb -0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3h88 h LYS 17 CO -0.10 0.88 0.13 0.00 -0.57 0.00 0.00 179.45 179.79 3h88 h ALA 18 N 1.14 1.00 -0.56 3.86 0.00 -0.92 -1.90 119.26 121.88 3h88 h ALA 18 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3h88 h ALA 18 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3h88 h ALA 18 CO 0.04 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 3h88 h LEU 19 N 0.99 0.96 -1.19 0.00 3.38 -0.94 0.21 115.31 118.72 3h88 h LEU 19 Ca 0.20 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3h88 h LEU 19 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3h88 h LEU 19 CO 0.01 1.02 -0.39 0.00 0.09 0.00 0.00 178.44 179.16 3h88 h ALA 20 N 1.08 1.27 0.00 1.53 0.00 -1.12 0.21 119.26 122.24 3h88 h ALA 20 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3h88 h ALA 20 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h88 h ALA 20 CO 0.03 0.49 -0.15 0.00 0.00 0.00 0.00 179.25 179.62 3h88 h ARG 21 N 0.00 0.00 -0.00 0.00 3.08 -1.02 -3.43 114.38 113.01 3h88 h ARG 21 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h88 h ARG 21 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3h88 h ARG 21 CO 0.05 0.90 -0.04 0.43 -1.07 0.00 0.00 179.97 180.25 3h88 n SER 22 N -4.61 0.12 0.00 7.04 7.64 0.72 -5.06 113.62 119.47 3h88 n SER 22 Ca -0.12 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.20 3h88 n SER 22 Cb 0.46 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 3h88 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h88 n GLY 23 N 0.94 3.22 0.35 0.23 0.00 0.75 -1.78 105.19 108.90 3h88 n GLY 23 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3h88 n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h88 h GLU 24 N 0.00 0.45 -0.65 1.61 4.39 -1.95 -1.20 114.58 117.23 3h88 h GLU 24 Ca 0.00 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3h88 h GLU 24 Cb 0.00 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 3h88 h GLU 24 CO 0.00 0.29 0.43 -0.91 -1.16 0.00 0.00 179.01 177.67 3h88 h ASN 25 N 0.46 0.68 0.02 1.42 2.35 -1.77 0.18 115.58 118.92 3h88 h ASN 25 Ca 0.28 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 3h88 h ASN 25 Cb 0.49 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3h88 h ASN 25 CO -0.08 0.47 -0.16 0.15 -1.65 0.00 0.00 177.43 176.16 3h88 h PHE 26 N 0.79 0.12 -0.97 1.19 3.57 -1.31 -3.24 116.94 117.10 3h88 h PHE 26 Ca 0.26 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3h88 h PHE 26 Cb 0.05 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3h88 h PHE 26 CO -0.00 1.02 0.64 0.00 -2.23 0.00 0.00 178.31 177.74 3h88 h ALA 27 N 0.07 1.25 0.00 2.41 0.00 -1.05 -1.62 119.26 120.32 3h88 h ALA 27 Ca -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 27 Cb 1.08 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3h88 h ALA 27 CO 0.03 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.73 3h88 h ARG 28 N 1.27 0.00 -0.15 0.00 3.08 -0.80 -0.27 114.38 117.51 3h88 h ARG 28 Ca 0.37 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.32 3h88 h ARG 28 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3h88 h ARG 28 CO -0.10 0.12 -0.35 0.00 -1.07 0.00 0.00 179.97 178.57 3h88 h ARG 29 N 0.00 0.31 0.11 0.04 3.08 -1.31 -3.33 114.38 113.28 3h88 h ARG 29 Ca -0.00 -0.14 -0.35 0.00 0.07 0.00 0.00 59.98 59.56 3h88 h ARG 29 Cb 0.64 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3h88 h ARG 29 CO 0.02 0.63 -1.95 -0.89 -1.07 0.00 0.00 179.97 176.71 3h88 n ILE 30 N -4.07 1.77 -4.35 2.04 2.08 -0.86 -4.55 119.36 111.42 3h88 n ILE 30 Ca -0.01 -0.68 -0.33 0.00 0.56 0.00 0.00 62.75 62.29 3h88 n ILE 30 Cb 0.45 -1.64 -0.09 0.00 -0.75 0.00 0.00 39.64 37.60 3h88 n ILE 30 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3h88 s LEU 31 N -6.92 3.48 0.86 1.39 1.43 -0.17 -4.48 118.68 114.27 3h88 s LEU 31 Ca -0.20 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3h88 s LEU 31 Cb 0.07 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.48 3h88 s LEU 31 CO 0.78 0.32 1.10 0.42 0.23 0.00 0.00 176.35 179.20 3h88 s THR 32 N -1.00 2.76 0.31 5.49 -4.23 -1.26 -4.65 115.64 113.07 3h88 s THR 32 Ca 0.17 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3h88 s THR 32 Cb -0.11 -2.87 0.30 0.00 1.34 0.00 0.00 72.50 71.16 3h88 s THR 32 CO 0.07 -0.32 1.83 0.44 -0.54 0.00 0.00 174.62 176.10 3h88 h ASP 33 N -1.35 0.80 -0.44 3.99 3.32 -1.98 -0.84 116.42 119.93 3h88 h ASP 33 Ca -0.49 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 3h88 h ASP 33 Cb 1.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3h88 h ASP 33 CO 0.57 0.38 -0.22 -1.28 -1.72 0.00 0.00 179.24 176.98 3h88 h SER 34 N 0.84 0.98 0.46 6.45 0.87 -2.03 -2.92 113.55 118.19 3h88 h SER 34 Ca 0.51 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 3h88 h SER 34 Cb 0.68 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3h88 h SER 34 CO -0.28 1.15 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.38 3h88 h GLU 35 N 0.82 0.01 -0.63 2.24 5.08 -1.64 -2.98 114.58 117.49 3h88 h GLU 35 Ca 0.11 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 3h88 h GLU 35 Cb 0.78 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3h88 h GLU 35 CO 0.07 0.47 0.43 -0.07 -1.00 0.00 0.00 179.01 178.91 3h88 h LEU 36 N 0.01 0.18 0.06 1.33 4.07 -0.99 -1.61 115.31 118.36 3h88 h LEU 36 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h88 h LEU 36 Cb 0.82 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3h88 h LEU 36 CO 0.06 0.10 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.16 3h88 h GLU 37 N 0.20 -0.07 -0.44 1.13 4.39 -1.58 0.43 114.58 118.63 3h88 h GLU 37 Ca 0.30 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 3h88 h GLU 37 Cb 0.92 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 3h88 h GLU 37 CO -0.05 -0.01 0.18 1.96 -1.16 0.00 0.00 179.01 179.92 3h88 h GLN 38 N -0.11 0.66 -0.27 2.33 4.20 -1.59 -2.20 115.11 118.12 3h88 h GLN 38 Ca -0.01 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.64 3h88 h GLN 38 Cb 0.09 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 3h88 h GLN 38 CO 0.01 0.61 -0.06 0.35 -0.67 0.00 0.00 178.83 179.07 3h88 h PHE 39 N 0.57 -0.12 0.00 2.96 3.57 -1.10 -1.96 116.94 120.85 3h88 h PHE 39 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3h88 h PHE 39 Cb 0.19 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3h88 h PHE 39 CO 0.00 -0.11 -0.12 0.45 -2.23 0.00 0.00 178.31 176.31 3h88 h HIS 40 N 0.01 0.00 0.00 0.41 3.86 0.05 -1.02 115.15 118.46 3h88 h HIS 40 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3h88 h HIS 40 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3h88 h HIS 40 CO -0.26 0.12 0.00 0.00 0.86 0.00 0.00 177.93 178.65 3h88 h ALA 41 N 1.88 1.00 -2.86 2.45 0.00 -0.75 -3.46 119.26 117.52 3h88 h ALA 41 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3h88 h ALA 41 Cb 0.22 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.10 3h88 h ALA 41 CO 0.02 0.00 0.57 0.45 0.00 0.00 0.00 179.25 180.29 3h88 s SER 42 N -5.92 5.97 0.00 0.00 0.15 -0.39 -4.95 113.70 108.56 3h88 s SER 42 Ca 0.06 2.58 0.24 0.00 0.70 0.00 0.00 55.95 59.52 3h88 s SER 42 Cb 0.07 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 62.19 3h88 s SER 42 CO 0.63 -1.08 1.40 0.29 1.20 0.00 0.00 173.24 175.69 3h88 n LYS 43 N -0.40 2.29 -3.16 5.44 5.02 -1.26 -4.47 118.16 121.62 3h88 n LYS 43 Ca 0.07 -1.92 -0.23 0.00 -2.02 0.00 0.00 58.31 54.21 3h88 n LYS 43 Cb 0.45 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 3h88 n LYS 43 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h88 n GLN 44 N 1.20 1.74 -0.13 1.97 6.02 -1.26 -4.99 117.38 121.93 3h88 n GLN 44 Ca 0.17 -3.93 -0.02 0.00 -0.01 0.00 0.00 57.00 53.21 3h88 n GLN 44 Cb 0.55 -1.82 0.20 0.00 1.02 0.00 0.00 30.24 30.19 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3h88 h GLN 45 N 3.37 0.83 -0.60 -1.09 4.20 -1.89 -0.86 115.11 119.06 3h88 h GLN 45 Ca 0.12 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3h88 h GLN 45 Cb 0.78 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 3h88 h GLN 45 CO 0.62 0.73 0.29 0.78 -0.67 0.00 0.00 178.83 180.59 3h88 h GLY 46 N 0.96 0.93 0.92 3.46 0.00 -1.94 0.14 103.07 107.55 3h88 h GLY 46 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3h88 h GLY 46 CO -0.01 0.44 -0.02 3.21 0.00 0.00 0.00 176.54 180.16 3h88 h ARG 47 N 0.83 0.65 -0.21 4.80 3.08 -1.76 -0.48 114.38 121.28 3h88 h ARG 47 Ca 0.21 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3h88 h ARG 47 Cb 0.12 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3h88 h ARG 47 CO -0.03 0.77 -0.17 0.35 -1.07 0.00 0.00 179.97 179.83 3h88 h PHE 48 N 0.45 -0.43 -0.44 3.04 3.57 -1.05 -2.55 116.94 119.54 3h88 h PHE 48 Ca 0.10 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3h88 h PHE 48 Cb 0.50 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3h88 h PHE 48 CO 0.04 -0.24 -0.09 1.25 -2.23 0.00 0.00 178.31 177.04 3h88 h LEU 49 N -0.17 0.77 -0.79 0.59 5.85 -0.91 -2.68 115.31 117.98 3h88 h LEU 49 Ca 0.12 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3h88 h LEU 49 Cb 0.36 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3h88 h LEU 49 CO -0.31 0.89 0.43 0.00 -0.34 0.00 0.00 178.44 179.11 3h88 h ALA 50 N 1.19 1.01 -0.51 1.25 0.00 -0.85 0.48 119.26 121.83 3h88 h ALA 50 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 50 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h88 h ALA 50 CO 0.03 0.52 0.23 0.87 0.00 0.00 0.00 179.25 180.90 3h88 h LYS 51 N 1.09 0.74 -0.41 0.00 1.57 -1.31 -1.65 116.57 116.61 3h88 h LYS 51 Ca 0.28 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3h88 h LYS 51 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3h88 h LYS 51 CO -0.04 0.64 0.13 0.00 -0.57 0.00 0.00 179.45 179.60 3h88 h ARG 52 N 0.68 0.64 -0.24 3.15 2.47 -1.17 -1.21 114.38 118.70 3h88 h ARG 52 Ca 0.17 -0.14 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 3h88 h ARG 52 Cb 0.16 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.32 3h88 h ARG 52 CO -0.02 0.64 -0.20 0.35 0.56 0.00 0.00 179.97 181.30 3h88 h PHE 53 N 0.52 -0.52 -0.28 3.04 3.57 -0.82 -0.00 116.94 122.45 3h88 h PHE 53 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3h88 h PHE 53 Cb 0.26 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3h88 h PHE 53 CO 0.01 -0.28 0.17 0.00 -2.23 0.00 0.00 178.31 175.99 3h88 h ALA 54 N 0.90 0.35 -0.42 2.41 0.00 -1.23 -0.38 119.26 120.90 3h88 h ALA 54 Ca 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3h88 h ALA 54 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3h88 h ALA 54 CO -0.36 -0.15 0.19 0.00 0.00 0.00 0.00 179.25 178.93 3h88 h ALA 55 N 1.07 0.51 -0.29 0.00 0.00 -1.00 0.02 119.26 119.58 3h88 h ALA 55 Ca 0.10 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 55 Cb -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h88 h ALA 55 CO -0.02 -0.18 -0.47 0.87 0.00 0.00 0.00 179.25 179.45 3h88 h LYS 56 N 0.38 0.77 -0.63 0.00 1.57 -0.79 0.45 116.57 118.31 3h88 h LYS 56 Ca 0.19 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 3h88 h LYS 56 Cb 0.12 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3h88 h LYS 56 CO -0.15 1.07 0.24 0.93 -0.57 0.00 0.00 179.45 180.96 3h88 h GLU 57 N 0.61 0.95 -0.59 3.15 5.08 -0.94 -0.84 114.58 122.00 3h88 h GLU 57 Ca 0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3h88 h GLU 57 Cb 1.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3h88 h GLU 57 CO 0.10 0.81 0.34 0.00 -1.00 0.00 0.00 179.01 179.27 3h88 h ALA 58 N 1.09 0.76 -0.65 3.43 0.00 -0.81 -1.85 119.26 121.23 3h88 h ALA 58 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h88 h ALA 58 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h88 h ALA 58 CO -0.01 0.25 0.24 0.00 0.00 0.00 0.00 179.25 179.73 3h88 h ALA 59 N 1.17 0.85 -0.16 0.00 0.00 -0.57 -1.74 119.26 118.80 3h88 h ALA 59 Ca 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 59 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h88 h ALA 59 CO -0.04 0.49 -0.13 0.66 0.00 0.00 0.00 179.25 180.23 3h88 h SER 60 N 0.93 0.24 -0.26 0.00 4.64 -0.90 -1.81 113.55 116.40 3h88 h SER 60 Ca 0.21 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 3h88 h SER 60 Cb 0.24 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3h88 h SER 60 CO -0.01 0.41 -0.58 0.11 -0.87 0.00 0.00 176.83 175.88 3h88 h LYS 61 N 0.24 0.86 -0.08 4.77 1.57 -1.01 -1.24 116.57 121.68 3h88 h LYS 61 Ca 0.05 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3h88 h LYS 61 Cb 0.39 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3h88 h LYS 61 CO 0.02 1.20 -0.00 0.00 -0.57 0.00 0.00 179.45 180.10 3h88 h ALA 62 N 0.68 1.85 0.00 3.86 0.00 -0.58 -0.91 119.26 124.17 3h88 h ALA 62 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 62 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h88 h ALA 62 CO 0.13 0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.42 3h88 h LEU 63 N 0.11 0.00 0.00 0.00 3.38 -1.27 -3.35 115.31 114.18 3h88 h LEU 63 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h88 h LEU 63 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h88 h LEU 63 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h88 n GLY 64 N 0.73 0.75 0.05 0.83 0.00 -0.35 -4.92 105.19 102.28 3h88 n GLY 64 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -2.23 0.68 -4.78 2.61 -2.24 -1.11 -5.02 114.28 102.19 3h88 n THR 65 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3h88 n THR 65 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3h88 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h88 n GLY 66 N 1.99 -0.42 3.47 3.38 0.00 -0.49 -4.12 105.19 108.99 3h88 n GLY 66 Ca -0.17 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 3h88 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h88 s ILE 67 N 0.00 4.63 -0.00 -0.61 -1.09 -1.26 -4.75 121.20 118.12 3h88 s ILE 67 Ca 0.00 -1.54 -0.30 0.00 -2.23 0.00 0.00 60.65 56.58 3h88 s ILE 67 Cb 0.00 -4.83 0.11 0.00 -1.58 0.00 0.00 42.46 36.16 3h88 s ILE 67 CO 0.00 -1.58 1.27 0.00 -1.23 0.00 0.00 174.94 173.40 3h88 s ALA 68 N 2.93 -2.24 -1.58 9.38 0.00 -1.07 -4.97 121.76 124.20 3h88 s ALA 68 Ca 0.35 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 3h88 s ALA 68 Cb -0.04 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.56 3h88 s ALA 68 CO -0.09 -1.07 0.54 1.04 0.00 0.00 0.00 175.76 176.18 3h88 n GLN 69 N -0.57 -4.54 -0.02 0.00 1.13 -1.26 -1.62 117.38 110.50 3h88 n GLN 69 Ca -0.06 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 3h88 n GLN 69 Cb 0.62 -5.76 0.00 0.00 0.11 0.00 0.00 30.24 25.21 3h88 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h88 n GLY 70 N -1.47 2.31 3.63 1.08 0.00 -1.26 -5.02 105.19 104.46 3h88 n GLY 70 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3h88 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h88 s VAL 71 N -2.80 4.81 0.30 1.61 1.01 -0.64 -4.56 120.40 120.13 3h88 s VAL 71 Ca 0.00 1.46 0.10 0.00 0.00 0.00 0.00 61.98 63.54 3h88 s VAL 71 Cb 0.00 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3h88 s VAL 71 CO 0.00 -0.15 -0.06 0.42 0.00 0.00 0.00 175.10 175.32 3h88 s THR 72 N 2.92 2.83 0.47 3.92 -4.23 -1.26 -2.61 115.64 117.68 3h88 s THR 72 Ca 0.35 -2.09 0.24 0.00 -1.18 0.00 0.00 61.69 59.01 3h88 s THR 72 Cb -0.15 -2.67 0.43 0.00 1.34 0.00 0.00 72.50 71.45 3h88 s THR 72 CO 0.09 -0.31 1.87 -0.26 -0.54 0.00 0.00 174.62 175.47 3h88 h PHE 73 N 1.97 0.29 0.00 3.99 0.04 -1.88 -0.98 116.94 120.37 3h88 h PHE 73 Ca -0.42 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.25 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3h88 h PHE 73 CO 0.73 0.07 0.00 0.72 -0.60 0.00 0.00 178.31 179.23 3h88 n HIS 74 N -4.41 0.00 1.43 -0.55 8.25 -1.26 -2.41 115.22 116.27 3h88 n HIS 74 Ca 0.19 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.79 3h88 n HIS 74 Cb 0.82 -0.35 0.70 0.00 1.12 0.00 0.00 29.99 32.28 3h88 n HIS 74 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h88 n ASP 75 N -1.35 0.20 -4.23 0.41 8.00 -0.37 -4.73 116.55 114.49 3h88 n ASP 75 Ca 0.08 -0.35 -0.32 0.00 0.71 0.00 0.00 54.79 54.92 3h88 n ASP 75 Cb 0.18 -0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h88 s PHE 76 N -2.52 2.57 -0.11 1.24 0.08 -1.01 -0.89 117.98 117.33 3h88 s PHE 76 Ca 0.29 -1.03 0.03 0.00 0.12 0.00 0.00 56.93 56.34 3h88 s PHE 76 Cb 0.20 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3h88 s PHE 76 CO 0.47 -0.41 -0.19 0.99 -0.10 0.00 0.00 175.22 175.98 3h88 s THR 77 N 0.33 1.76 -0.18 0.64 2.01 0.01 -4.75 115.64 115.47 3h88 s THR 77 Ca -0.18 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 60.87 3h88 s THR 77 Cb -0.18 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 3h88 s THR 77 CO 0.09 0.49 0.25 -0.63 -0.69 0.00 0.00 174.62 174.13 3h88 s ILE 78 N 0.70 5.33 0.00 1.82 1.09 -1.26 -0.23 121.20 128.64 3h88 s ILE 78 Ca -0.12 0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.88 3h88 s ILE 78 Cb -0.16 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 3h88 s ILE 78 CO 0.02 0.39 0.00 -1.54 -0.10 0.00 0.00 174.94 173.71 3h88 n SER 79 N 3.70 0.89 -3.94 3.58 3.41 -0.44 -4.97 113.62 115.84 3h88 n SER 79 Ca -0.13 -0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 57.69 3h88 n SER 79 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3h88 n SER 79 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3h88 s HIS 80 N -1.12 0.19 0.45 7.33 3.76 -1.26 -0.53 115.29 124.11 3h88 s HIS 80 Ca 0.00 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.47 3h88 s HIS 80 Cb 0.00 -0.14 0.09 0.00 1.11 0.00 0.00 32.58 33.64 3h88 s HIS 80 CO 0.00 -0.24 0.61 -0.40 -0.85 0.00 0.00 174.74 173.87 3h88 n ASP 81 N 1.47 0.55 0.19 1.40 5.68 -0.34 -4.93 116.55 120.58 3h88 n ASP 81 Ca -0.23 -1.53 0.14 0.00 -0.50 0.00 0.00 54.79 52.67 3h88 n ASP 81 Cb 0.55 -0.42 0.45 0.00 -1.14 0.00 0.00 41.12 40.56 3h88 n ASP 81 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h88 h LYS 82 N 0.00 0.00 -0.01 0.11 -0.00 -2.02 -0.72 116.57 113.92 3h88 h LYS 82 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.45 3h88 h LYS 82 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.91 3h88 h LYS 82 CO 0.19 0.00 -0.22 1.28 -0.00 0.00 0.00 179.45 180.70 3h88 n LEU 83 N -2.72 1.67 0.00 7.07 4.77 -1.26 -4.96 117.00 121.57 3h88 n LEU 83 Ca 0.03 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3h88 n LEU 83 Cb 0.37 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3h88 n LEU 83 CO 0.28 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3h88 n GLY 84 N 1.32 0.65 3.72 -0.72 0.00 -0.27 -5.06 105.19 104.83 3h88 n GLY 84 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3h88 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h88 s LYS 85 N -0.78 4.24 0.54 1.61 2.20 -1.26 -4.75 119.74 121.55 3h88 s LYS 85 Ca 0.00 2.30 -0.18 0.00 -0.36 0.00 0.00 55.97 57.74 3h88 s LYS 85 Cb 0.00 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 3h88 s LYS 85 CO 0.00 -0.53 1.04 -1.25 -0.36 0.00 0.00 175.35 174.24 3h88 s PRO 86 N 0.74 3.61 -0.01 4.03 0.04 -1.26 -1.19 135.00 140.95 3h88 s PRO 86 Ca 0.66 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.95 3h88 s PRO 86 Cb -0.42 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 3h88 s PRO 86 CO 0.34 -0.57 -0.11 -0.51 0.04 0.00 0.00 177.00 176.19 3h88 s LEU 87 N -4.05 1.99 -0.16 -3.56 1.43 0.31 -4.64 118.68 110.01 3h88 s LEU 87 Ca 0.64 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3h88 s LEU 87 Cb -0.15 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 3h88 s LEU 87 CO 0.30 0.13 -0.11 -0.22 0.23 0.00 0.00 176.35 176.67 3h88 s LEU 88 N -0.20 2.72 -0.07 1.79 2.96 -1.26 -1.33 118.68 123.29 3h88 s LEU 88 Ca 0.03 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3h88 s LEU 88 Cb -0.05 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3h88 s LEU 88 CO -0.00 0.11 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.27 3h88 s ILE 89 N 0.70 1.93 0.16 6.68 1.01 0.68 -4.95 121.20 127.41 3h88 s ILE 89 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 3h88 s ILE 89 Cb -0.15 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3h88 s ILE 89 CO 0.02 0.54 0.34 -0.76 0.00 0.00 0.00 174.94 175.08 3h88 s LEU 90 N 0.04 4.28 0.28 2.97 1.43 -1.26 -0.81 118.68 125.61 3h88 s LEU 90 Ca -0.08 0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 3h88 s LEU 90 Cb -0.15 -3.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 3h88 s LEU 90 CO 0.05 0.03 0.48 -0.94 0.23 0.00 0.00 176.35 176.19 3h88 s SER 91 N -2.94 0.18 0.92 2.29 1.04 -0.07 -4.70 113.70 110.42 3h88 s SER 91 Ca 0.38 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3h88 s SER 91 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3h88 s SER 91 CO 0.28 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.91 3h88 n GLY 92 N -0.43 1.49 0.32 7.32 0.00 -1.26 -2.09 105.19 110.54 3h88 n GLY 92 Ca -0.01 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.49 3h88 n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h88 h GLN 93 N 0.00 0.58 -0.61 1.61 5.75 -1.94 -2.16 115.11 118.33 3h88 h GLN 93 Ca 0.00 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 3h88 h GLN 93 Cb 0.00 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3h88 h GLN 93 CO 0.00 0.38 0.15 0.00 -2.65 0.00 0.00 178.83 176.71 3h88 h ALA 94 N 1.71 0.80 -0.26 3.38 0.00 -1.80 -1.01 119.26 122.08 3h88 h ALA 94 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 94 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 94 CO -0.05 0.51 -0.08 0.00 0.00 0.00 0.00 179.25 179.63 3h88 h ALA 95 N 1.04 1.39 -0.08 0.00 0.00 -0.84 -0.44 119.26 120.32 3h88 h ALA 95 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3h88 h ALA 95 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h88 h ALA 95 CO 0.00 0.42 -0.31 1.49 0.00 0.00 0.00 179.25 180.85 3h88 h GLU 96 N 0.39 0.36 -0.59 0.00 4.57 -1.08 -0.73 114.58 117.51 3h88 h GLU 96 Ca 0.08 -0.27 -0.10 0.00 -1.18 0.00 0.00 59.36 57.89 3h88 h GLU 96 Cb 0.38 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3h88 h GLU 96 CO 0.02 0.90 -0.03 1.25 -1.18 0.00 0.00 179.01 179.97 3h88 h LEU 97 N -0.11 1.05 -1.00 1.64 6.46 -1.10 -0.61 115.31 121.63 3h88 h LEU 97 Ca -0.01 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 3h88 h LEU 97 Cb 0.94 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 3h88 h LEU 97 CO 0.06 1.11 0.49 0.00 -0.62 0.00 0.00 178.44 179.49 3h88 h ALA 98 N 0.97 1.24 -0.32 1.25 0.00 -1.05 -0.17 119.26 121.18 3h88 h ALA 98 Ca 0.16 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 98 Cb 0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h88 h ALA 98 CO 0.04 0.63 -0.28 0.77 0.00 0.00 0.00 179.25 180.40 3h88 h SER 99 N 1.19 0.68 -0.88 0.00 0.02 -0.63 0.22 113.55 114.16 3h88 h SER 99 Ca 0.30 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3h88 h SER 99 Cb -0.00 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 3h88 h SER 99 CO -0.05 0.93 0.58 1.56 -1.14 0.00 0.00 176.83 178.71 3h88 h GLN 100 N 0.57 1.12 -0.01 3.45 4.20 -0.74 -1.62 115.11 122.09 3h88 h GLN 100 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h88 h GLN 100 Cb 0.78 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3h88 h GLN 100 CO 0.06 0.74 0.00 1.28 -0.67 0.00 0.00 178.83 180.25 3h88 n LEU 101 N -4.50 0.48 -2.91 1.46 4.77 -0.11 -4.89 117.00 111.30 3h88 n LEU 101 Ca 0.10 -0.16 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 3h88 n LEU 101 Cb 0.05 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3h88 n LEU 101 CO 0.35 0.08 0.04 0.00 -1.33 0.00 0.00 177.39 176.54 3h88 n GLN 102 N -0.62 -5.11 -1.98 3.23 6.02 -0.56 -4.85 117.38 113.52 3h88 n GLN 102 Ca 0.22 0.83 -0.42 0.00 -0.01 0.00 0.00 57.00 57.62 3h88 n GLN 102 Cb 0.19 -5.58 -0.03 0.00 1.02 0.00 0.00 30.24 25.83 3h88 n GLN 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h88 s VAL 103 N -3.17 2.95 0.00 5.09 1.01 -0.04 -4.31 120.40 121.93 3h88 s VAL 103 Ca 0.33 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3h88 s VAL 103 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3h88 s VAL 103 CO 0.41 0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.91 3h88 n GLU 104 N 4.75 0.62 -4.52 2.72 1.02 -0.33 -4.81 120.64 120.09 3h88 n GLU 104 Ca 0.14 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.06 3h88 n GLU 104 Cb 0.40 -0.99 -0.16 0.00 -0.02 0.00 0.00 31.44 30.67 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h88 s ASN 105 N -2.11 1.52 -0.08 1.62 0.01 -0.87 -5.03 114.94 110.00 3h88 s ASN 105 Ca 0.00 -0.24 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 3h88 s ASN 105 Cb 0.00 -0.48 0.01 0.00 0.41 0.00 0.00 41.25 41.19 3h88 s ASN 105 CO 0.00 0.07 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.88 3h88 s ILE 106 N 0.29 1.39 -0.03 0.60 1.01 -1.26 -1.38 121.20 121.82 3h88 s ILE 106 Ca -0.06 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.03 3h88 s ILE 106 Cb -0.11 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3h88 s ILE 106 CO 0.01 0.41 -0.20 -1.00 0.00 0.00 0.00 174.94 174.17 3h88 s HIS 107 N 0.66 1.87 -0.02 3.97 3.76 -0.36 -4.82 115.29 120.34 3h88 s HIS 107 Ca -0.14 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3h88 s HIS 107 Cb -0.16 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.31 3h88 s HIS 107 CO 0.04 -0.11 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.63 3h88 s LEU 108 N -0.25 1.64 0.06 0.89 2.96 -1.26 -0.93 118.68 121.80 3h88 s LEU 108 Ca 0.02 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3h88 s LEU 108 Cb -0.10 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 3h88 s LEU 108 CO 0.01 -0.02 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.34 3h88 s SER 109 N 0.40 1.60 0.01 3.68 0.15 -0.23 -4.65 113.70 114.66 3h88 s SER 109 Ca -0.04 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.06 3h88 s SER 109 Cb -0.07 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 3h88 s SER 109 CO -0.01 -0.06 -0.09 -0.63 1.20 0.00 0.00 173.24 173.65 3h88 s ILE 110 N -1.19 0.72 -0.04 6.45 1.01 -1.26 -1.48 121.20 125.41 3h88 s ILE 110 Ca -0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3h88 s ILE 110 Cb -0.09 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.75 3h88 s ILE 110 CO 0.02 0.08 0.19 -0.55 0.00 0.00 0.00 174.94 174.68 3h88 s SER 111 N -0.55 -0.13 0.06 3.58 0.15 -1.26 -5.00 113.70 110.56 3h88 s SER 111 Ca 0.01 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.85 3h88 s SER 111 Cb -0.05 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 3h88 s SER 111 CO 0.00 -0.21 -0.08 1.51 1.20 0.00 0.00 173.24 175.66 3h88 s ASP 112 N -0.55 1.01 0.00 5.45 -4.77 -1.26 -4.42 116.67 112.13 3h88 s ASP 112 Ca -0.06 -0.70 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 3h88 s ASP 112 Cb -0.04 0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 3h88 s ASP 112 CO 0.01 -0.28 0.00 -0.62 0.70 0.00 0.00 175.17 174.99 3h88 n GLU 113 N 0.97 3.81 -0.27 2.11 -0.58 0.33 -5.00 120.64 122.02 3h88 n GLU 113 Ca -0.19 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.48 3h88 n GLU 113 Cb 0.57 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.49 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h88 h ARG 114 N 0.00 1.14 0.00 3.49 3.08 -2.04 -3.35 114.38 116.70 3h88 h ARG 114 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3h88 h ARG 114 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3h88 h ARG 114 CO 0.00 0.97 -1.27 0.72 -1.07 0.00 0.00 179.97 179.32 3h88 n HIS 115 N -4.28 0.00 -4.29 3.04 8.25 -1.26 -4.92 115.22 111.77 3h88 n HIS 115 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.34 3h88 n HIS 115 Cb 0.22 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 3h88 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h88 s TYR 116 N -2.60 0.76 0.46 4.41 2.02 -1.26 -1.04 117.35 120.10 3h88 s TYR 116 Ca -0.02 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.54 3h88 s TYR 116 Cb 0.08 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 41.12 3h88 s TYR 116 CO 0.47 -0.01 0.06 0.00 -1.57 0.00 0.00 175.55 174.50 3h88 s ALA 117 N -0.36 3.70 0.00 3.71 0.00 -0.51 -0.51 121.76 127.79 3h88 s ALA 117 Ca 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3h88 s ALA 117 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3h88 s ALA 117 CO -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.64 3h88 n ALA 119 N -1.19 0.00 -2.74 0.00 0.00 -0.68 -0.82 120.51 115.08 3h88 n ALA 119 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 3h88 n ALA 119 Cb 0.66 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 3h88 n ALA 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h88 s THR 120 N -2.00 0.65 -0.02 0.00 2.01 -0.55 -1.60 115.64 114.13 3h88 s THR 120 Ca 0.00 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.44 3h88 s THR 120 Cb 0.00 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 3h88 s THR 120 CO 0.00 0.00 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.10 3h88 s VAL 121 N -0.57 1.12 -0.06 3.82 1.01 -0.16 -1.06 120.40 124.50 3h88 s VAL 121 Ca -0.00 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3h88 s VAL 121 Cb -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3h88 s VAL 121 CO 0.00 0.32 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 3h88 s ILE 122 N -0.17 1.41 -0.09 2.22 1.01 -0.10 -1.39 121.20 124.09 3h88 s ILE 122 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3h88 s ILE 122 Cb -0.07 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3h88 s ILE 122 CO 0.00 0.41 -0.08 -0.76 0.00 0.00 0.00 174.94 174.51 3h88 s LEU 123 N 0.26 3.08 0.00 2.97 1.43 -0.50 -1.23 118.68 124.70 3h88 s LEU 123 Ca -0.09 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3h88 s LEU 123 Cb -0.13 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3h88 s LEU 123 CO 0.03 0.31 -0.04 -0.70 0.23 0.00 0.00 176.35 176.18 3h88 s GLU 124 N -0.48 0.30 0.00 1.70 2.12 -0.48 -0.16 118.70 121.71 3h88 s GLU 124 Ca 0.07 -0.24 0.32 0.00 0.36 0.00 0.00 54.97 55.48 3h88 s GLU 124 Cb -0.12 -0.24 1.90 0.00 0.26 0.00 0.00 34.13 35.93 3h88 s GLU 124 CO 0.02 0.06 2.22 0.54 -0.54 0.00 0.00 175.26 177.56