#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 3.87 -0.11 0.00 1.01 -1.26 -4.90 121.20 119.80 3h88 s ILE 2 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 60.65 60.45 3h88 s ILE 2 Cb 0.00 -2.68 -0.26 0.00 0.01 0.00 0.00 42.46 39.53 3h88 s ILE 2 CO 0.00 0.51 0.23 0.52 0.00 0.00 0.00 174.94 176.20 3h88 n VAL 3 N 3.32 0.69 -3.55 2.92 0.31 0.12 -4.90 118.33 117.23 3h88 n VAL 3 Ca -0.18 -0.63 -0.11 0.00 -0.01 0.00 0.00 64.34 63.42 3h88 n VAL 3 Cb 0.53 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.15 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h88 s GLY 4 N -4.81 -0.35 -0.01 2.92 0.00 -1.10 -4.97 107.32 99.00 3h88 s GLY 4 Ca -0.08 1.70 0.01 0.00 0.00 0.00 0.00 44.72 46.35 3h88 s GLY 4 CO 0.78 0.84 -0.02 -2.27 0.00 0.00 0.00 173.10 172.44 3h88 s LEU 5 N -1.47 1.83 0.01 0.66 2.96 -1.26 -1.47 118.68 119.94 3h88 s LEU 5 Ca -0.01 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3h88 s LEU 5 Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.52 3h88 s LEU 5 CO -0.00 0.00 0.07 -0.83 -1.32 0.00 0.00 176.35 174.27 3h88 s GLY 6 N 0.17 0.11 0.03 7.98 0.00 -0.38 -3.67 107.32 111.56 3h88 s GLY 6 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 3h88 s GLY 6 CO -0.00 -0.38 0.16 -1.08 0.00 0.00 0.00 173.10 171.80 3h88 s THR 7 N -1.28 0.11 -0.13 0.90 -1.32 -1.26 -1.28 115.64 111.37 3h88 s THR 7 Ca -0.14 -0.88 -0.19 0.00 -1.21 0.00 0.00 61.69 59.27 3h88 s THR 7 Cb -0.08 -0.79 0.05 0.00 -1.51 0.00 0.00 72.50 70.16 3h88 s THR 7 CO 0.00 -0.49 0.49 -0.62 -2.21 0.00 0.00 174.62 171.79 3h88 s ASP 8 N -1.92 -0.47 -0.05 8.08 2.15 -0.48 -4.53 116.67 119.44 3h88 s ASP 8 Ca -0.07 0.77 0.04 0.00 0.43 0.00 0.00 52.55 53.72 3h88 s ASP 8 Cb -0.03 0.80 -0.00 0.00 -0.30 0.00 0.00 42.92 43.39 3h88 s ASP 8 CO -0.03 -0.30 -0.19 -0.51 -0.17 0.00 0.00 175.17 173.98 3h88 s ILE 9 N -0.29 1.61 -0.05 4.11 2.07 -1.26 -1.51 121.20 125.89 3h88 s ILE 9 Ca -0.05 -0.81 0.05 0.00 -1.41 0.00 0.00 60.65 58.43 3h88 s ILE 9 Cb -0.03 -1.39 -0.00 0.00 0.13 0.00 0.00 42.46 41.17 3h88 s ILE 9 CO 0.03 0.46 -0.18 0.00 -1.91 0.00 0.00 174.94 173.33 3h88 s ALA 10 N 0.08 1.63 -0.28 1.50 0.00 0.16 -4.99 121.76 119.87 3h88 s ALA 10 Ca -0.06 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.88 3h88 s ALA 10 Cb -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3h88 s ALA 10 CO 0.03 0.30 0.95 -2.00 0.00 0.00 0.00 175.76 175.04 3h88 s GLU 11 N 0.01 4.11 0.27 0.00 2.12 -1.26 -1.24 118.70 122.72 3h88 s GLU 11 Ca -0.04 1.00 -0.02 0.00 0.36 0.00 0.00 54.97 56.27 3h88 s GLU 11 Cb -0.12 -3.69 0.38 0.00 0.26 0.00 0.00 34.13 30.96 3h88 s GLU 11 CO 0.02 -0.70 1.81 0.82 -0.54 0.00 0.00 175.26 176.67 3h88 h ILE 12 N 5.57 1.23 -0.13 -3.70 2.04 -1.21 -2.28 117.51 119.02 3h88 h ILE 12 Ca -0.22 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 3h88 h ILE 12 Cb 1.08 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3h88 h ILE 12 CO 0.95 0.32 -0.09 -0.08 0.00 0.00 0.00 178.15 179.25 3h88 h GLU 13 N 0.80 0.20 -0.16 2.37 4.81 -1.92 -0.36 114.58 120.31 3h88 h GLU 13 Ca 0.17 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3h88 h GLU 13 Cb 0.33 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3h88 h GLU 13 CO 0.00 0.30 -0.50 0.00 -0.73 0.00 0.00 179.01 178.08 3h88 h ARG 14 N 0.19 0.43 -0.24 1.92 3.08 -1.79 -0.38 114.38 117.59 3h88 h ARG 14 Ca 0.04 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 3h88 h ARG 14 Cb 0.29 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3h88 h ARG 14 CO 0.02 0.84 -0.25 0.28 -1.07 0.00 0.00 179.97 179.79 3h88 h VAL 15 N 0.34 1.32 -0.83 2.04 2.07 -1.32 -2.23 116.25 117.64 3h88 h VAL 15 Ca 0.01 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.13 3h88 h VAL 15 Cb 1.01 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 3h88 h VAL 15 CO 0.09 0.44 0.55 -0.33 0.02 0.00 0.00 177.57 178.34 3h88 h GLU 16 N 0.29 1.09 -0.70 1.57 5.08 -0.80 -1.86 114.58 119.24 3h88 h GLU 16 Ca 0.04 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3h88 h GLU 16 Cb 0.81 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3h88 h GLU 16 CO 0.06 0.72 0.29 0.87 -1.00 0.00 0.00 179.01 179.95 3h88 h LYS 17 N 1.12 1.05 -0.69 2.33 1.57 -1.04 -1.14 116.57 119.77 3h88 h LYS 17 Ca 0.31 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3h88 h LYS 17 Cb -0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 3h88 h LYS 17 CO -0.07 0.86 0.31 0.00 -0.57 0.00 0.00 179.45 179.98 3h88 h ALA 18 N 1.13 1.26 -0.55 3.86 0.00 -1.01 -1.81 119.26 122.14 3h88 h ALA 18 Ca 0.24 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 18 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 18 CO -0.02 0.56 -0.06 -0.07 0.00 0.00 0.00 179.25 179.67 3h88 h LEU 19 N 0.98 0.97 -1.49 0.00 3.38 -0.98 0.15 115.31 118.31 3h88 h LEU 19 Ca 0.24 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3h88 h LEU 19 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3h88 h LEU 19 CO -0.03 1.06 -0.20 0.00 0.09 0.00 0.00 178.44 179.35 3h88 h ALA 20 N 1.04 1.58 0.04 1.53 0.00 -0.75 0.55 119.26 123.25 3h88 h ALA 20 Ca 0.15 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 3h88 h ALA 20 Cb 0.60 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3h88 h ALA 20 CO 0.04 0.31 -1.61 0.54 0.00 0.00 0.00 179.25 178.53 3h88 n ARG 21 N -4.26 0.64 -0.00 0.00 1.74 -0.72 -4.71 116.66 109.33 3h88 n ARG 21 Ca -0.02 0.44 0.02 0.00 -0.77 0.00 0.00 57.85 57.53 3h88 n ARG 21 Cb 0.28 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3h88 n ARG 21 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h88 n SER 22 N -4.07 0.78 0.00 0.55 7.64 0.48 -5.06 113.62 113.95 3h88 n SER 22 Ca -0.34 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3h88 n SER 22 Cb 0.83 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 65.06 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 1.28 3.41 0.24 0.23 0.00 0.18 -1.90 105.19 108.64 3h88 n GLY 23 Ca 0.01 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -0.80 1.61 4.39 -1.95 -1.10 114.58 116.73 3h88 h GLU 24 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3h88 h GLU 24 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3h88 h GLU 24 CO 0.00 0.17 0.49 -0.91 -1.16 0.00 0.00 179.01 177.60 3h88 h ASN 25 N 0.00 0.95 -0.04 1.42 2.35 -1.80 0.19 115.58 118.65 3h88 h ASN 25 Ca -0.00 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3h88 h ASN 25 Cb 0.38 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3h88 h ASN 25 CO 0.02 0.73 -0.14 0.15 -1.65 0.00 0.00 177.43 176.54 3h88 h PHE 26 N 1.09 0.22 -0.76 1.19 3.57 -1.28 -3.10 116.94 117.88 3h88 h PHE 26 Ca 0.29 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3h88 h PHE 26 Cb -0.06 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3h88 h PHE 26 CO -0.01 0.77 0.36 0.00 -2.23 0.00 0.00 178.31 177.20 3h88 h ALA 27 N 0.41 0.98 0.00 2.41 0.00 -1.11 -1.91 119.26 120.04 3h88 h ALA 27 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3h88 h ALA 27 Cb 0.77 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h88 h ALA 27 CO 0.03 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.65 3h88 h ARG 28 N 1.07 0.00 -0.42 0.00 3.08 -0.71 -0.75 114.38 116.65 3h88 h ARG 28 Ca 0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.21 3h88 h ARG 28 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3h88 h ARG 28 CO -0.03 0.18 -0.14 0.00 -1.07 0.00 0.00 179.97 178.90 3h88 h ARG 29 N 0.00 0.77 0.10 0.04 3.08 -1.26 -3.32 114.38 113.78 3h88 h ARG 29 Ca -0.00 -0.27 -0.33 0.00 0.07 0.00 0.00 59.98 59.45 3h88 h ARG 29 Cb 0.41 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3h88 h ARG 29 CO 0.02 0.87 -1.76 0.82 -1.07 0.00 0.00 179.97 178.85 3h88 h ILE 30 N 0.69 0.87 -2.86 2.04 1.08 -1.35 -3.41 117.51 114.56 3h88 h ILE 30 Ca 0.11 -2.59 -0.67 0.00 -0.39 0.00 0.00 64.86 61.32 3h88 h ILE 30 Cb 0.63 2.59 -0.09 0.00 -3.07 0.00 0.00 36.82 36.88 3h88 h ILE 30 CO 0.04 0.78 -0.53 -0.76 -0.69 0.00 0.00 178.15 177.00 3h88 s LEU 31 N -6.83 4.13 1.00 1.44 1.43 -0.32 -4.49 118.68 115.03 3h88 s LEU 31 Ca -0.13 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 3h88 s LEU 31 Cb 0.07 -2.01 0.19 0.00 0.03 0.00 0.00 46.19 44.47 3h88 s LEU 31 CO 0.82 0.39 1.11 0.42 0.23 0.00 0.00 176.35 179.32 3h88 s THR 32 N -1.00 1.97 0.24 5.49 -4.23 -1.26 -4.72 115.64 112.13 3h88 s THR 32 Ca 0.15 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 3h88 s THR 32 Cb -0.12 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.39 3h88 s THR 32 CO 0.04 0.00 1.91 0.44 -0.54 0.00 0.00 174.62 176.47 3h88 h ASP 33 N -1.87 1.13 -0.67 3.99 3.32 -1.96 -1.59 116.42 118.77 3h88 h ASP 33 Ca -0.53 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 3h88 h ASP 33 Cb 1.33 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3h88 h ASP 33 CO 0.57 0.83 0.35 0.77 -1.72 0.00 0.00 179.24 180.03 3h88 h SER 34 N 1.32 0.85 0.43 6.45 4.64 -2.02 -2.83 113.55 122.40 3h88 h SER 34 Ca 0.35 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 3h88 h SER 34 Cb -0.13 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.73 3h88 h SER 34 CO -0.07 0.72 -0.53 -0.33 -0.87 0.00 0.00 176.83 175.75 3h88 h GLU 35 N 0.92 0.11 -0.63 4.77 5.08 -1.84 -3.18 114.58 119.80 3h88 h GLU 35 Ca 0.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3h88 h GLU 35 Cb 0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3h88 h GLU 35 CO -0.03 0.62 0.33 1.25 -1.00 0.00 0.00 179.01 180.17 3h88 h LEU 36 N 0.09 0.79 -0.37 1.33 5.85 -1.04 0.62 115.31 122.57 3h88 h LEU 36 Ca -0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3h88 h LEU 36 Cb 0.97 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3h88 h LEU 36 CO 0.08 0.65 0.19 -0.33 -0.34 0.00 0.00 178.44 178.68 3h88 h GLU 37 N 0.89 0.38 -0.11 1.25 4.39 -1.51 0.19 114.58 120.05 3h88 h GLU 37 Ca 0.22 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 3h88 h GLU 37 Cb 0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3h88 h GLU 37 CO -0.03 0.25 -0.49 1.96 -1.16 0.00 0.00 179.01 179.54 3h88 h GLN 38 N 0.39 0.29 0.02 2.33 4.20 -1.45 -2.85 115.11 118.05 3h88 h GLN 38 Ca 0.16 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3h88 h GLN 38 Cb 0.06 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3h88 h GLN 38 CO -0.10 0.72 -0.12 0.35 -0.67 0.00 0.00 178.83 179.01 3h88 h PHE 39 N 0.24 -0.30 -0.25 2.96 3.57 -0.64 -2.23 116.94 120.30 3h88 h PHE 39 Ca 0.01 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3h88 h PHE 39 Cb 0.94 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3h88 h PHE 39 CO 0.02 -0.18 0.20 0.45 -2.23 0.00 0.00 178.31 176.57 3h88 h HIS 40 N -0.21 0.00 0.00 0.41 3.86 -0.93 -1.60 115.15 116.68 3h88 h HIS 40 Ca 0.04 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3h88 h HIS 40 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3h88 h HIS 40 CO -0.17 0.00 -0.24 0.00 0.86 0.00 0.00 177.93 178.38 3h88 h ALA 41 N 1.84 0.84 -2.79 2.45 0.00 -1.17 -3.46 119.26 116.98 3h88 h ALA 41 Ca 0.12 -0.22 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 3h88 h ALA 41 Cb 0.51 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 18.36 3h88 h ALA 41 CO -0.00 0.30 0.48 0.45 0.00 0.00 0.00 179.25 180.47 3h88 s SER 42 N -6.32 5.41 -0.00 0.00 0.15 -0.61 -4.92 113.70 107.42 3h88 s SER 42 Ca 0.06 2.37 0.18 0.00 0.70 0.00 0.00 55.95 59.26 3h88 s SER 42 Cb 0.06 -2.60 0.53 0.00 -1.71 0.00 0.00 66.02 62.30 3h88 s SER 42 CO 0.71 -1.44 1.44 0.29 1.20 0.00 0.00 173.24 175.44 3h88 n LYS 43 N -1.36 2.79 -3.16 5.44 5.02 -1.26 -4.48 118.16 121.15 3h88 n LYS 43 Ca 0.12 -2.45 -0.22 0.00 -2.02 0.00 0.00 58.31 53.74 3h88 n LYS 43 Cb 0.49 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 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 1.25 1.56 -0.03 1.97 6.02 -1.26 -4.99 117.38 121.90 3h88 n GLN 44 Ca 0.20 -3.79 -0.05 0.00 -0.01 0.00 0.00 57.00 53.34 3h88 n GLN 44 Cb 0.55 -1.78 0.16 0.00 1.02 0.00 0.00 30.24 30.20 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 3.31 0.62 -0.67 -1.09 4.20 -1.88 -0.66 115.11 118.94 3h88 h GLN 45 Ca 0.11 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3h88 h GLN 45 Cb 0.82 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 3h88 h GLN 45 CO 0.59 0.79 0.14 0.78 -0.67 0.00 0.00 178.83 180.47 3h88 h GLY 46 N 0.99 1.16 0.91 3.46 0.00 -1.94 0.18 103.07 107.83 3h88 h GLY 46 Ca 0.08 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 3h88 h GLY 46 CO 0.05 0.68 -0.05 3.21 0.00 0.00 0.00 176.54 180.42 3h88 h ARG 47 N 1.02 0.61 -0.12 4.80 3.08 -1.71 -0.09 114.38 121.96 3h88 h ARG 47 Ca 0.21 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3h88 h ARG 47 Cb 0.38 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3h88 h ARG 47 CO 0.00 0.77 -0.08 0.35 -1.07 0.00 0.00 179.97 179.95 3h88 h PHE 48 N 0.39 -0.19 -0.28 3.04 3.57 -0.83 -2.69 116.94 119.95 3h88 h PHE 48 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3h88 h PHE 48 Cb 0.53 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3h88 h PHE 48 CO 0.05 -0.12 -0.13 1.25 -2.23 0.00 0.00 178.31 177.13 3h88 h LEU 49 N -0.08 0.46 -0.62 0.59 5.85 -0.53 -2.67 115.31 118.30 3h88 h LEU 49 Ca 0.08 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3h88 h LEU 49 Cb 0.19 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3h88 h LEU 49 CO -0.18 0.62 0.17 0.00 -0.34 0.00 0.00 178.44 178.72 3h88 h ALA 50 N 1.43 0.82 -0.58 1.25 0.00 -0.73 0.80 119.26 122.25 3h88 h ALA 50 Ca 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3h88 h ALA 50 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h88 h ALA 50 CO 0.03 0.51 0.21 0.87 0.00 0.00 0.00 179.25 180.87 3h88 h LYS 51 N 0.91 0.88 -0.56 0.00 1.57 -1.38 -1.06 116.57 116.92 3h88 h LYS 51 Ca 0.20 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3h88 h LYS 51 Cb 0.32 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3h88 h LYS 51 CO -0.00 0.77 0.14 0.00 -0.57 0.00 0.00 179.45 179.79 3h88 h ARG 52 N 0.80 0.90 -0.27 3.15 2.47 -1.17 -1.14 114.38 119.13 3h88 h ARG 52 Ca 0.19 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 3h88 h ARG 52 Cb 0.24 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 3h88 h ARG 52 CO -0.01 0.84 0.10 0.35 0.56 0.00 0.00 179.97 181.81 3h88 h PHE 53 N 0.80 0.19 -0.35 3.04 3.57 -0.69 -0.71 116.94 122.79 3h88 h PHE 53 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3h88 h PHE 53 Cb 0.34 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3h88 h PHE 53 CO 0.02 0.09 0.16 0.00 -2.23 0.00 0.00 178.31 176.35 3h88 h ALA 54 N 1.16 0.45 -0.50 2.41 0.00 -1.08 -0.18 119.26 121.52 3h88 h ALA 54 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 54 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 54 CO -0.11 0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.47 3h88 h ALA 55 N 1.01 0.63 -0.36 0.00 0.00 -0.99 -0.04 119.26 119.52 3h88 h ALA 55 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 55 Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h88 h ALA 55 CO -0.01 0.00 -0.44 0.87 0.00 0.00 0.00 179.25 179.67 3h88 h LYS 56 N 0.60 0.92 -0.34 0.00 1.57 -1.06 -0.34 116.57 117.93 3h88 h LYS 56 Ca 0.20 -0.52 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3h88 h LYS 56 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3h88 h LYS 56 CO -0.09 1.17 0.21 0.93 -0.57 0.00 0.00 179.45 181.11 3h88 h GLU 57 N 0.74 0.42 -0.48 3.15 5.08 -0.85 -1.00 114.58 121.65 3h88 h GLU 57 Ca 0.05 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3h88 h GLU 57 Cb 1.04 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3h88 h GLU 57 CO 0.10 0.28 0.24 0.00 -1.00 0.00 0.00 179.01 178.63 3h88 h ALA 58 N 1.13 0.61 -0.76 3.43 0.00 -0.88 -1.68 119.26 121.11 3h88 h ALA 58 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h88 h ALA 58 Cb -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3h88 h ALA 58 CO -0.04 -0.12 0.50 0.00 0.00 0.00 0.00 179.25 179.59 3h88 h ALA 59 N 1.26 0.99 0.00 0.00 0.00 -0.86 -0.26 119.26 120.38 3h88 h ALA 59 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3h88 h ALA 59 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 59 CO -0.16 0.33 -0.35 0.66 0.00 0.00 0.00 179.25 179.73 3h88 h SER 60 N 0.99 0.00 0.02 0.00 4.64 -0.82 -1.44 113.55 116.94 3h88 h SER 60 Ca 0.29 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.38 3h88 h SER 60 Cb -0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3h88 h SER 60 CO -0.09 0.35 -0.89 0.11 -0.87 0.00 0.00 176.83 175.44 3h88 h LYS 61 N 0.00 0.66 -0.13 4.77 1.57 -0.82 0.17 116.57 122.79 3h88 h LYS 61 Ca -0.00 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.15 3h88 h LYS 61 Cb 0.65 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3h88 h LYS 61 CO 0.05 1.23 0.04 0.00 -0.57 0.00 0.00 179.45 180.19 3h88 h ALA 62 N 0.58 1.83 0.00 3.86 0.00 -0.43 -0.13 119.26 124.96 3h88 h ALA 62 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h88 h ALA 62 Cb 1.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3h88 h ALA 62 CO 0.17 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.50 3h88 h LEU 63 N 0.19 0.00 0.00 0.00 3.38 -1.16 -3.36 115.31 114.36 3h88 h LEU 63 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h88 h LEU 63 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 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 0.16 0.93 0.03 0.83 0.00 -0.06 -4.92 105.19 102.16 3h88 n GLY 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.35 -4.86 2.61 -2.24 -1.10 -5.03 114.28 102.02 3h88 n THR 65 Ca 0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3h88 n THR 65 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.12 0.40 3.44 3.38 0.00 0.03 -4.01 105.19 110.55 3h88 n GLY 66 Ca -0.09 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.57 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 5.02 0.00 -0.61 -1.09 -1.26 -4.77 121.20 118.49 3h88 s ILE 67 Ca 0.00 -2.24 -0.29 0.00 -2.23 0.00 0.00 60.65 55.88 3h88 s ILE 67 Cb 0.00 -4.80 0.10 0.00 -1.58 0.00 0.00 42.46 36.18 3h88 s ILE 67 CO 0.00 -1.50 1.12 0.00 -1.23 0.00 0.00 174.94 173.33 3h88 s ALA 68 N 1.73 -1.98 -1.21 9.38 0.00 -1.11 -4.96 121.76 123.62 3h88 s ALA 68 Ca 0.36 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 3h88 s ALA 68 Cb -0.05 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3h88 s ALA 68 CO -0.05 -0.91 0.46 1.04 0.00 0.00 0.00 175.76 176.29 3h88 n GLN 69 N -0.38 -3.72 0.00 0.00 1.13 -1.26 -1.78 117.38 111.37 3h88 n GLN 69 Ca -0.06 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 3h88 n GLN 69 Cb 0.61 -5.14 0.00 0.00 0.11 0.00 0.00 30.24 25.83 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 -1.34 2.11 3.66 1.08 0.00 -1.26 -5.02 105.19 104.42 3h88 n GLY 70 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.50 4.86 0.40 1.61 1.01 -0.73 -4.49 120.40 120.57 3h88 s VAL 71 Ca 0.00 1.60 0.07 0.00 0.00 0.00 0.00 61.98 63.66 3h88 s VAL 71 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3h88 s VAL 71 CO 0.00 -0.02 0.05 0.42 0.00 0.00 0.00 175.10 175.56 3h88 s THR 72 N 2.44 2.15 0.50 3.92 -4.23 -1.26 -2.75 115.64 116.41 3h88 s THR 72 Ca 0.37 -1.93 0.16 0.00 -1.18 0.00 0.00 61.69 59.11 3h88 s THR 72 Cb -0.16 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.02 3h88 s THR 72 CO 0.10 -0.03 2.10 -0.26 -0.54 0.00 0.00 174.62 175.99 3h88 h PHE 73 N 1.69 0.12 0.00 3.99 0.04 -1.88 -1.64 116.94 119.27 3h88 h PHE 73 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3h88 h PHE 73 Cb 1.24 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3h88 h PHE 73 CO 0.70 0.07 0.00 0.72 -0.60 0.00 0.00 178.31 179.20 3h88 n HIS 74 N -4.50 0.00 1.32 -0.55 8.25 -1.26 -2.42 115.22 116.06 3h88 n HIS 74 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 3h88 n HIS 74 Cb 0.19 -0.31 0.63 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.31 0.24 -4.32 0.41 10.43 -0.62 -4.77 116.55 116.62 3h88 n ASP 75 Ca 0.09 -0.24 -0.32 0.00 2.57 0.00 0.00 54.79 56.89 3h88 n ASP 75 Cb 0.17 -0.18 -0.15 0.00 1.84 0.00 0.00 41.12 42.80 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3h88 s PHE 76 N -2.63 2.64 -0.10 1.24 0.08 -1.02 -0.60 117.98 117.58 3h88 s PHE 76 Ca 0.25 -0.71 0.03 0.00 0.12 0.00 0.00 56.93 56.62 3h88 s PHE 76 Cb 0.20 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 3h88 s PHE 76 CO 0.50 -0.22 -0.20 0.99 -0.10 0.00 0.00 175.22 176.19 3h88 s THR 77 N 0.09 1.78 -0.21 0.64 2.01 0.14 -4.69 115.64 115.40 3h88 s THR 77 Ca -0.09 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 3h88 s THR 77 Cb -0.15 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 3h88 s THR 77 CO 0.05 0.50 0.14 -0.63 -0.69 0.00 0.00 174.62 173.99 3h88 s ILE 78 N 0.63 5.34 0.45 1.82 -1.09 -1.26 -1.02 121.20 126.07 3h88 s ILE 78 Ca -0.13 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 3h88 s ILE 78 Cb -0.16 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3h88 s ILE 78 CO 0.04 0.40 0.10 -0.55 -1.23 0.00 0.00 174.94 173.70 3h88 s SER 79 N 0.63 3.28 0.03 3.58 0.15 0.34 -4.90 113.70 116.80 3h88 s SER 79 Ca 0.07 -1.71 0.02 0.00 0.70 0.00 0.00 55.95 55.04 3h88 s SER 79 Cb -0.12 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 3h88 s SER 79 CO 0.01 -0.95 -0.07 -1.00 1.20 0.00 0.00 173.24 172.42 3h88 s HIS 80 N -3.09 0.64 0.90 3.44 3.76 -1.26 -0.31 115.29 119.37 3h88 s HIS 80 Ca 0.16 -0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 3h88 s HIS 80 Cb 0.01 -0.39 0.20 0.00 1.11 0.00 0.00 32.58 33.51 3h88 s HIS 80 CO 0.11 -0.05 1.23 -0.40 -0.85 0.00 0.00 174.74 174.77 3h88 n ASP 81 N 1.96 0.40 0.29 1.40 5.68 -0.38 -4.92 116.55 120.98 3h88 n ASP 81 Ca -0.19 -1.63 0.19 0.00 -0.50 0.00 0.00 54.79 52.66 3h88 n ASP 81 Cb 0.56 -0.91 0.86 0.00 -1.14 0.00 0.00 41.12 40.49 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 -0.02 0.11 2.10 -2.02 -1.88 116.57 114.86 3h88 h LYS 82 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3h88 h LYS 82 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3h88 h LYS 82 CO 0.31 0.00 -0.02 1.28 -2.00 0.00 0.00 179.45 179.02 3h88 n LEU 83 N -3.03 2.13 0.00 7.07 4.77 -1.26 -4.95 117.00 121.73 3h88 n LEU 83 Ca -0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 3h88 n LEU 83 Cb 0.22 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3h88 n LEU 83 CO 0.24 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3h88 n GLY 84 N 1.26 0.37 3.74 -0.72 0.00 -0.70 -5.07 105.19 104.06 3h88 n GLY 84 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.94 4.21 0.35 1.61 2.20 -1.26 -4.73 119.74 121.18 3h88 s LYS 85 Ca 0.00 2.40 -0.19 0.00 -0.36 0.00 0.00 55.97 57.82 3h88 s LYS 85 Cb 0.00 -3.10 -0.10 0.00 -1.51 0.00 0.00 37.83 33.12 3h88 s LYS 85 CO 0.00 -0.54 0.84 -1.25 -0.36 0.00 0.00 175.35 174.04 3h88 s PRO 86 N 0.10 4.18 -0.02 4.03 0.04 -1.26 -1.25 135.00 140.82 3h88 s PRO 86 Ca 0.64 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.67 3h88 s PRO 86 Cb -0.44 -2.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 3h88 s PRO 86 CO 0.40 0.13 -0.18 -0.51 0.04 0.00 0.00 177.00 176.88 3h88 s LEU 87 N -2.83 2.02 -0.19 -3.56 1.43 0.57 -4.58 118.68 111.54 3h88 s LEU 87 Ca 0.55 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3h88 s LEU 87 Cb -0.11 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3h88 s LEU 87 CO 0.17 0.21 -0.12 -0.22 0.23 0.00 0.00 176.35 176.62 3h88 s LEU 88 N -0.36 2.56 -0.13 1.79 2.96 -1.26 -0.50 118.68 123.74 3h88 s LEU 88 Ca 0.05 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3h88 s LEU 88 Cb -0.08 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3h88 s LEU 88 CO -0.00 0.01 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.26 3h88 s ILE 89 N 1.30 2.94 0.19 6.68 1.09 -0.19 -4.94 121.20 128.28 3h88 s ILE 89 Ca 0.04 -0.70 -0.07 0.00 -1.10 0.00 0.00 60.65 58.82 3h88 s ILE 89 Cb -0.14 -2.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.97 3h88 s ILE 89 CO -0.06 0.53 0.47 -0.76 -0.10 0.00 0.00 174.94 175.02 3h88 s LEU 90 N 0.33 4.20 0.00 2.97 1.43 -1.26 -0.68 118.68 125.67 3h88 s LEU 90 Ca -0.12 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3h88 s LEU 90 Cb -0.16 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 3h88 s LEU 90 CO 0.06 -0.03 0.41 -1.54 0.23 0.00 0.00 176.35 175.48 3h88 n SER 91 N -0.10 -1.11 0.00 2.29 3.41 0.23 -4.63 113.62 113.71 3h88 n SER 91 Ca -0.01 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 3h88 n SER 91 Cb 0.52 2.22 0.00 0.00 -0.26 0.00 0.00 64.21 66.69 3h88 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h88 n GLY 92 N -0.61 1.57 0.26 5.00 0.00 -1.26 -1.92 105.19 108.22 3h88 n GLY 92 Ca 0.04 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 0.01 -0.35 1.61 5.75 -1.94 -2.36 115.11 117.83 3h88 h GLN 93 Ca 0.00 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3h88 h GLN 93 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3h88 h GLN 93 CO 0.00 0.00 0.04 0.00 -2.65 0.00 0.00 178.83 176.23 3h88 h ALA 94 N 1.99 0.46 -0.57 3.38 0.00 -1.77 -1.26 119.26 121.49 3h88 h ALA 94 Ca 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3h88 h ALA 94 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h88 h ALA 94 CO -0.00 0.18 0.18 0.00 0.00 0.00 0.00 179.25 179.61 3h88 h ALA 95 N 0.89 1.24 -0.21 0.00 0.00 -0.92 0.36 119.26 120.62 3h88 h ALA 95 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3h88 h ALA 95 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h88 h ALA 95 CO 0.01 0.54 -0.04 1.49 0.00 0.00 0.00 179.25 181.25 3h88 h GLU 96 N 0.84 0.40 -0.63 0.00 4.57 -1.32 0.15 114.58 118.58 3h88 h GLU 96 Ca 0.19 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3h88 h GLU 96 Cb 0.24 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3h88 h GLU 96 CO -0.01 0.63 0.35 -0.07 -1.18 0.00 0.00 179.01 178.74 3h88 h LEU 97 N 0.13 0.78 -0.96 1.64 4.07 -1.02 -1.08 115.31 118.87 3h88 h LEU 97 Ca 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 3h88 h LEU 97 Cb 0.48 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 3h88 h LEU 97 CO 0.02 0.64 0.46 0.00 -1.08 0.00 0.00 178.44 178.48 3h88 h ALA 98 N 1.17 1.21 -0.38 1.53 0.00 -0.79 -1.16 119.26 120.83 3h88 h ALA 98 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 98 Cb 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3h88 h ALA 98 CO -0.04 0.64 0.22 0.77 0.00 0.00 0.00 179.25 180.84 3h88 h SER 99 N 1.20 0.47 -0.23 0.00 0.02 -0.06 -0.38 113.55 114.56 3h88 h SER 99 Ca 0.30 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3h88 h SER 99 Cb 0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3h88 h SER 99 CO -0.05 0.40 0.16 1.56 -1.14 0.00 0.00 176.83 177.76 3h88 h GLN 100 N 0.49 0.23 -0.00 3.45 4.20 -0.72 -0.36 115.11 122.41 3h88 h GLN 100 Ca 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3h88 h GLN 100 Cb 0.03 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3h88 h GLN 100 CO -0.02 0.15 -0.30 1.28 -0.67 0.00 0.00 178.83 179.27 3h88 n LEU 101 N -4.50 0.58 -1.72 1.46 4.77 -0.49 -4.93 117.00 112.17 3h88 n LEU 101 Ca 0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3h88 n LEU 101 Cb 0.13 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3h88 n LEU 101 CO 0.35 0.12 -0.05 0.00 -1.33 0.00 0.00 177.39 176.47 3h88 n GLN 102 N -1.17 -2.26 -1.81 3.23 6.02 -0.14 -4.86 117.38 116.39 3h88 n GLN 102 Ca 0.09 0.56 -0.42 0.00 -0.01 0.00 0.00 57.00 57.22 3h88 n GLN 102 Cb 0.33 -4.68 -0.03 0.00 1.02 0.00 0.00 30.24 26.87 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 -2.81 2.67 -0.02 5.09 1.01 -0.29 -4.35 120.40 121.70 3h88 s VAL 103 Ca 0.12 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.40 3h88 s VAL 103 Cb -0.05 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 3h88 s VAL 103 CO 0.15 0.00 0.10 -0.62 0.00 0.00 0.00 175.10 174.73 3h88 n GLU 104 N 5.30 1.03 -4.01 2.72 -0.58 0.17 -4.84 120.64 120.42 3h88 n GLU 104 Ca 0.16 -0.04 -0.17 0.00 -0.42 0.00 0.00 57.16 56.69 3h88 n GLU 104 Cb 0.39 -1.14 -0.16 0.00 -0.57 0.00 0.00 31.44 29.96 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3h88 s ASN 105 N -2.97 0.54 -0.09 1.62 0.02 -0.79 -5.03 114.94 108.25 3h88 s ASN 105 Ca -0.02 -0.06 0.04 0.00 -1.02 0.00 0.00 52.86 51.79 3h88 s ASN 105 Cb 0.03 -0.26 0.00 0.00 0.02 0.00 0.00 41.25 41.05 3h88 s ASN 105 CO 0.24 -0.07 -0.21 -0.63 0.02 0.00 0.00 177.10 176.45 3h88 s ILE 106 N 0.84 1.81 -0.06 0.60 1.01 -1.26 -0.82 121.20 123.33 3h88 s ILE 106 Ca -0.09 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3h88 s ILE 106 Cb -0.12 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 3h88 s ILE 106 CO -0.01 0.51 -0.21 -1.00 0.00 0.00 0.00 174.94 174.23 3h88 s HIS 107 N 0.41 2.15 -0.02 3.97 3.76 0.02 -4.83 115.29 120.76 3h88 s HIS 107 Ca -0.17 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.04 3h88 s HIS 107 Cb -0.17 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.08 3h88 s HIS 107 CO 0.07 -0.26 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.46 3h88 s LEU 108 N 0.11 1.87 0.04 0.89 2.96 -1.26 -1.07 118.68 122.21 3h88 s LEU 108 Ca -0.09 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3h88 s LEU 108 Cb -0.14 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 3h88 s LEU 108 CO 0.05 0.07 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.50 3h88 s SER 109 N 0.05 1.08 0.03 3.68 0.15 -0.38 -4.63 113.70 113.68 3h88 s SER 109 Ca -0.00 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.20 3h88 s SER 109 Cb -0.06 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3h88 s SER 109 CO -0.00 -0.10 -0.09 -0.63 1.20 0.00 0.00 173.24 173.62 3h88 s ILE 110 N -1.08 0.67 -0.07 6.45 1.01 -1.26 -1.58 121.20 125.35 3h88 s ILE 110 Ca -0.05 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 3h88 s ILE 110 Cb -0.08 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.77 3h88 s ILE 110 CO 0.01 -0.12 0.33 -0.55 0.00 0.00 0.00 174.94 174.61 3h88 s SER 111 N -1.01 -0.27 0.05 3.58 0.15 -1.26 -5.01 113.70 109.94 3h88 s SER 111 Ca -0.03 0.36 -0.00 0.00 0.70 0.00 0.00 55.95 56.97 3h88 s SER 111 Cb -0.07 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 3h88 s SER 111 CO 0.00 -0.30 -0.04 1.51 1.20 0.00 0.00 173.24 175.62 3h88 s ASP 112 N -0.66 0.53 0.00 5.45 -4.77 -1.26 -4.41 116.67 111.56 3h88 s ASP 112 Ca -0.08 -0.89 0.00 0.00 -3.30 0.00 0.00 52.55 48.29 3h88 s ASP 112 Cb -0.04 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 3h88 s ASP 112 CO 0.03 -0.51 0.00 -1.84 0.70 0.00 0.00 175.17 173.54 3h88 n GLU 113 N 0.43 1.72 -0.37 2.11 -0.00 0.24 -4.99 120.64 119.78 3h88 n GLU 113 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.03 3h88 n GLU 113 Cb 0.60 0.00 0.18 0.00 -0.00 0.00 0.00 31.44 32.21 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h88 h ARG 114 N 0.00 1.12 0.00 3.44 3.08 -2.04 -3.31 114.38 116.67 3h88 h ARG 114 Ca 0.00 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3h88 h ARG 114 Cb 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3h88 h ARG 114 CO 0.00 0.74 -1.65 0.72 -1.07 0.00 0.00 179.97 178.71 3h88 n HIS 115 N -4.52 0.00 -4.32 3.04 8.25 -1.26 -4.90 115.22 111.51 3h88 n HIS 115 Ca 0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.43 3h88 n HIS 115 Cb 0.20 -0.39 -0.13 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.65 1.07 0.46 4.41 2.02 -1.25 -0.62 117.35 120.79 3h88 s TYR 116 Ca -0.05 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 3h88 s TYR 116 Cb 0.06 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 3h88 s TYR 116 CO 0.50 0.01 0.07 0.00 -1.57 0.00 0.00 175.55 174.56 3h88 s ALA 117 N -0.78 3.67 0.00 3.71 0.00 -0.37 -0.59 121.76 127.39 3h88 s ALA 117 Ca 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3h88 s ALA 117 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3h88 s ALA 117 CO 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.65 3h88 n ALA 119 N -1.19 0.00 -2.73 0.00 0.00 -0.57 0.37 120.51 116.39 3h88 n ALA 119 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 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 0.64 -0.05 0.00 2.01 -0.61 -1.38 115.64 114.25 3h88 s THR 120 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.47 3h88 s THR 120 Cb 0.00 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.94 3h88 s THR 120 CO 0.00 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.17 3h88 s VAL 121 N -0.50 0.94 -0.05 3.82 1.01 -0.41 -1.25 120.40 123.97 3h88 s VAL 121 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3h88 s VAL 121 Cb -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3h88 s VAL 121 CO 0.00 0.30 -0.20 -0.63 0.00 0.00 0.00 175.10 174.57 3h88 s ILE 122 N 0.55 1.66 -0.15 2.22 1.01 -0.23 -1.25 121.20 125.01 3h88 s ILE 122 Ca -0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3h88 s ILE 122 Cb -0.13 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3h88 s ILE 122 CO 0.02 0.47 -0.03 -0.76 0.00 0.00 0.00 174.94 174.64 3h88 s LEU 123 N -0.06 3.29 -0.03 2.97 1.43 -0.54 -0.80 118.68 124.95 3h88 s LEU 123 Ca -0.03 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3h88 s LEU 123 Cb -0.12 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3h88 s LEU 123 CO 0.03 0.20 -0.18 -0.70 0.23 0.00 0.00 176.35 175.93 3h88 s GLU 124 N 0.19 1.62 0.00 1.70 2.12 0.00 0.13 118.70 124.47 3h88 s GLU 124 Ca -0.02 -0.64 0.26 0.00 0.36 0.00 0.00 54.97 54.93 3h88 s GLU 124 Cb -0.14 -1.49 0.58 0.00 0.26 0.00 0.00 34.13 33.34 3h88 s GLU 124 CO 0.03 0.33 1.48 2.89 -0.54 0.00 0.00 175.26 179.45