#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 n ILE 2 N 0.00 0.00 0.33 0.00 5.41 -1.26 -4.55 119.36 119.29 3h88 n ILE 2 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 3h88 n ILE 2 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 3h88 n ILE 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3h88 n VAL 3 N 0.00 0.00 -3.55 1.39 0.24 0.42 -4.92 118.33 111.92 3h88 n VAL 3 Ca 0.00 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 3h88 n VAL 3 Cb 0.00 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.38 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h88 s GLY 4 N -1.28 -0.39 -0.02 7.63 0.00 -1.15 -4.95 107.32 107.16 3h88 s GLY 4 Ca 0.05 1.63 0.01 0.00 0.00 0.00 0.00 44.72 46.42 3h88 s GLY 4 CO 0.22 0.86 -0.05 -2.27 0.00 0.00 0.00 173.10 171.86 3h88 s LEU 5 N -1.43 1.77 0.01 0.66 2.96 -1.26 -1.10 118.68 120.30 3h88 s LEU 5 Ca -0.03 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3h88 s LEU 5 Cb -0.00 -0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.36 3h88 s LEU 5 CO 0.01 0.02 0.03 -0.83 -1.32 0.00 0.00 176.35 174.26 3h88 s GLY 6 N 0.22 0.14 0.02 7.98 0.00 -0.35 -3.74 107.32 111.59 3h88 s GLY 6 Ca -0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 44.72 44.27 3h88 s GLY 6 CO -0.00 -0.42 0.16 -1.08 0.00 0.00 0.00 173.10 171.75 3h88 s THR 7 N -1.19 0.10 -0.09 0.90 -1.32 -1.26 -0.52 115.64 112.26 3h88 s THR 7 Ca -0.13 -0.85 -0.23 0.00 -1.21 0.00 0.00 61.69 59.28 3h88 s THR 7 Cb -0.08 -0.71 0.05 0.00 -1.51 0.00 0.00 72.50 70.25 3h88 s THR 7 CO -0.00 -0.47 0.54 -0.62 -2.21 0.00 0.00 174.62 171.86 3h88 s ASP 8 N -1.80 -0.51 -0.03 8.08 2.15 -0.55 -4.57 116.67 119.46 3h88 s ASP 8 Ca -0.09 0.67 0.05 0.00 0.43 0.00 0.00 52.55 53.61 3h88 s ASP 8 Cb -0.04 0.67 -0.01 0.00 -0.30 0.00 0.00 42.92 43.24 3h88 s ASP 8 CO -0.02 -0.44 -0.17 -0.51 -0.17 0.00 0.00 175.17 173.87 3h88 s ILE 9 N -0.77 1.34 -0.04 4.11 2.07 -1.26 -1.49 121.20 125.17 3h88 s ILE 9 Ca -0.08 -0.70 0.03 0.00 -1.41 0.00 0.00 60.65 58.49 3h88 s ILE 9 Cb -0.03 -1.13 0.00 0.00 0.13 0.00 0.00 42.46 41.43 3h88 s ILE 9 CO 0.06 0.38 -0.13 0.00 -1.91 0.00 0.00 174.94 173.34 3h88 s ALA 10 N -0.19 1.22 -0.33 1.50 0.00 0.11 -4.98 121.76 119.09 3h88 s ALA 10 Ca 0.02 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 3h88 s ALA 10 Cb -0.09 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3h88 s ALA 10 CO 0.01 0.21 0.99 -2.00 0.00 0.00 0.00 175.76 174.96 3h88 s GLU 11 N 0.13 3.98 0.22 0.00 2.12 -1.26 -0.77 118.70 123.11 3h88 s GLU 11 Ca -0.04 0.84 -0.08 0.00 0.36 0.00 0.00 54.97 56.05 3h88 s GLU 11 Cb -0.10 -3.76 0.19 0.00 0.26 0.00 0.00 34.13 30.72 3h88 s GLU 11 CO 0.01 -0.89 1.88 0.82 -0.54 0.00 0.00 175.26 176.54 3h88 h ILE 12 N 5.75 1.23 -0.55 -3.70 2.04 -1.51 -2.62 117.51 118.15 3h88 h ILE 12 Ca -0.22 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3h88 h ILE 12 Cb 1.07 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3h88 h ILE 12 CO 1.00 0.24 0.36 -0.08 0.00 0.00 0.00 178.15 179.66 3h88 h GLU 13 N 1.16 0.61 -0.54 2.37 4.81 -1.92 -0.43 114.58 120.63 3h88 h GLU 13 Ca 0.31 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3h88 h GLU 13 Cb -0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3h88 h GLU 13 CO -0.06 0.40 -0.01 0.00 -0.73 0.00 0.00 179.01 178.61 3h88 h ARG 14 N 0.62 0.93 -0.44 1.92 3.08 -1.86 0.32 114.38 118.95 3h88 h ARG 14 Ca 0.22 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3h88 h ARG 14 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3h88 h ARG 14 CO -0.06 0.92 0.11 0.28 -1.07 0.00 0.00 179.97 180.15 3h88 h VAL 15 N 0.85 1.23 -0.49 2.04 2.07 -1.12 -2.06 116.25 118.76 3h88 h VAL 15 Ca 0.16 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3h88 h VAL 15 Cb 0.52 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3h88 h VAL 15 CO 0.03 0.28 0.25 -0.33 0.02 0.00 0.00 177.57 177.82 3h88 h GLU 16 N 0.57 0.47 -0.91 1.57 5.08 -0.82 -0.91 114.58 119.63 3h88 h GLU 16 Ca 0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3h88 h GLU 16 Cb 0.31 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3h88 h GLU 16 CO 0.00 0.31 0.51 0.87 -1.00 0.00 0.00 179.01 179.71 3h88 h LYS 17 N 0.49 1.26 -0.48 2.33 1.57 -0.89 -0.90 116.57 119.95 3h88 h LYS 17 Ca 0.22 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3h88 h LYS 17 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3h88 h LYS 17 CO -0.15 0.91 -0.03 0.00 -0.57 0.00 0.00 179.45 179.61 3h88 h ALA 18 N 1.29 1.05 -0.16 3.86 0.00 -1.00 -2.29 119.26 122.02 3h88 h ALA 18 Ca 0.32 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 18 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h88 h ALA 18 CO -0.05 0.59 -0.53 -0.07 0.00 0.00 0.00 179.25 179.18 3h88 h LEU 19 N 0.75 0.50 -1.38 0.00 3.38 -0.79 0.57 115.31 118.34 3h88 h LEU 19 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3h88 h LEU 19 Cb 0.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3h88 h LEU 19 CO 0.03 0.94 -0.29 0.00 0.09 0.00 0.00 178.44 179.20 3h88 h ALA 20 N 1.07 1.26 0.04 1.53 0.00 -0.85 -0.22 119.26 122.10 3h88 h ALA 20 Ca 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 3h88 h ALA 20 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3h88 h ALA 20 CO 0.09 0.36 -1.20 0.00 0.00 0.00 0.00 179.25 178.51 3h88 h ARG 21 N 0.00 0.09 -0.00 0.00 3.08 -1.21 -3.43 114.38 112.92 3h88 h ARG 21 Ca -0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3h88 h ARG 21 Cb 0.61 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3h88 h ARG 21 CO 0.04 1.08 -0.02 0.43 -1.07 0.00 0.00 179.97 180.42 3h88 n SER 22 N -4.22 0.18 0.00 7.04 7.64 0.17 -5.07 113.62 119.36 3h88 n SER 22 Ca -0.27 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.02 3h88 n SER 22 Cb 0.75 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.80 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 0.86 2.70 0.35 0.23 0.00 -0.10 -2.05 105.19 107.19 3h88 n GLY 23 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 0.74 -0.68 1.61 4.39 -1.95 -0.48 114.58 118.21 3h88 h GLU 24 Ca 0.00 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.73 3h88 h GLU 24 Cb 0.00 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.42 3h88 h GLU 24 CO 0.00 0.49 0.35 -0.91 -1.16 0.00 0.00 179.01 177.78 3h88 h ASN 25 N 0.77 0.48 0.18 1.42 2.35 -1.84 0.22 115.58 119.15 3h88 h ASN 25 Ca 0.33 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 3h88 h ASN 25 Cb 0.30 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3h88 h ASN 25 CO -0.11 0.29 -0.09 0.15 -1.65 0.00 0.00 177.43 176.02 3h88 h PHE 26 N 0.62 -0.23 -0.96 1.19 3.57 -1.16 -3.19 116.94 116.78 3h88 h PHE 26 Ca 0.32 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.99 3h88 h PHE 26 Cb 0.29 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 3h88 h PHE 26 CO -0.10 0.19 0.61 0.00 -2.23 0.00 0.00 178.31 176.78 3h88 h ALA 27 N -0.30 1.81 0.00 2.41 0.00 -1.01 -1.87 119.26 120.30 3h88 h ALA 27 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 27 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h88 h ALA 27 CO 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3h88 h ARG 28 N 0.70 0.00 0.00 0.00 3.08 -0.65 -0.35 114.38 117.16 3h88 h ARG 28 Ca 0.52 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.50 3h88 h ARG 28 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3h88 h ARG 28 CO -0.28 0.00 -0.33 -0.09 -1.07 0.00 0.00 179.97 178.20 3h88 h ARG 29 N 0.00 0.00 0.03 0.04 2.43 -1.32 -3.34 114.38 112.21 3h88 h ARG 29 Ca 0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 3h88 h ARG 29 Cb 0.87 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 3h88 h ARG 29 CO 0.00 0.33 -2.27 -0.89 -1.51 0.00 0.00 179.97 175.63 3h88 n ILE 30 N -3.63 1.54 -4.08 1.20 2.08 -0.63 -4.59 119.36 111.26 3h88 n ILE 30 Ca -0.01 -0.69 -0.30 0.00 0.56 0.00 0.00 62.75 62.31 3h88 n ILE 30 Cb 0.45 -1.21 -0.07 0.00 -0.75 0.00 0.00 39.64 38.06 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 -6.33 3.68 0.66 1.39 1.43 -0.24 -4.53 118.68 114.75 3h88 s LEU 31 Ca -0.23 -0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3h88 s LEU 31 Cb 0.08 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.96 3h88 s LEU 31 CO 0.72 0.18 0.97 0.42 0.23 0.00 0.00 176.35 178.87 3h88 s THR 32 N -1.35 2.93 0.26 5.49 -4.23 -1.26 -4.69 115.64 112.78 3h88 s THR 32 Ca 0.28 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 3h88 s THR 32 Cb -0.12 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.74 3h88 s THR 32 CO 0.20 -0.23 1.72 0.44 -0.54 0.00 0.00 174.62 176.21 3h88 h ASP 33 N -0.42 0.28 0.15 3.99 3.32 -1.99 -0.00 116.42 121.74 3h88 h ASP 33 Ca -0.45 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 3h88 h ASP 33 Cb 1.29 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 3h88 h ASP 33 CO 0.61 0.08 -0.29 -1.28 -1.72 0.00 0.00 179.24 176.63 3h88 h SER 34 N 0.43 0.23 1.27 6.45 0.87 -2.03 -2.55 113.55 118.23 3h88 h SER 34 Ca 0.45 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3h88 h SER 34 Cb 0.72 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3h88 h SER 34 CO -0.44 0.53 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.04 3h88 h GLU 35 N 0.21 0.00 -0.00 2.24 5.08 -1.36 -3.16 114.58 117.58 3h88 h GLU 35 Ca 0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3h88 h GLU 35 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3h88 h GLU 35 CO 0.05 0.01 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.65 3h88 h LEU 36 N 0.00 0.01 -0.19 1.33 3.38 -1.01 -2.47 115.31 116.36 3h88 h LEU 36 Ca -0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3h88 h LEU 36 Cb 0.65 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3h88 h LEU 36 CO 0.00 0.36 0.01 -0.08 0.09 0.00 0.00 178.44 178.82 3h88 h GLU 37 N 0.01 0.07 -0.31 1.13 4.81 -1.67 0.22 114.58 118.84 3h88 h GLU 37 Ca -0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 3h88 h GLU 37 Cb 0.63 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3h88 h GLU 37 CO 0.05 0.04 -0.42 1.96 -0.73 0.00 0.00 179.01 179.91 3h88 h GLN 38 N 0.07 0.75 -0.09 1.92 4.20 -1.68 -2.53 115.11 117.75 3h88 h GLN 38 Ca 0.09 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3h88 h GLN 38 Cb 0.11 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3h88 h GLN 38 CO -0.14 1.03 0.03 0.35 -0.67 0.00 0.00 178.83 179.43 3h88 h PHE 39 N 0.61 0.14 -0.33 2.96 3.57 -1.17 -1.85 116.94 120.87 3h88 h PHE 39 Ca 0.05 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3h88 h PHE 39 Cb 0.97 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3h88 h PHE 39 CO 0.05 0.26 0.22 0.45 -2.23 0.00 0.00 178.31 177.06 3h88 h HIS 40 N -0.02 0.40 0.00 0.41 3.86 -0.55 -1.60 115.15 117.65 3h88 h HIS 40 Ca 0.03 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3h88 h HIS 40 Cb 0.18 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 3h88 h HIS 40 CO -0.01 0.25 -0.08 0.00 0.86 0.00 0.00 177.93 178.95 3h88 h ALA 41 N 1.80 0.96 -3.02 2.45 0.00 -1.06 -3.46 119.26 116.94 3h88 h ALA 41 Ca 0.12 -0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.41 3h88 h ALA 41 Cb -0.03 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 17.88 3h88 h ALA 41 CO -0.03 0.10 0.61 0.45 0.00 0.00 0.00 179.25 180.38 3h88 s SER 42 N -6.11 5.32 0.00 0.00 0.15 -0.61 -4.94 113.70 107.51 3h88 s SER 42 Ca 0.05 2.76 0.18 0.00 0.70 0.00 0.00 55.95 59.63 3h88 s SER 42 Cb 0.07 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 62.23 3h88 s SER 42 CO 0.64 -1.54 1.40 0.29 1.20 0.00 0.00 173.24 175.24 3h88 n LYS 43 N -0.98 2.73 -3.16 5.44 5.02 -1.26 -4.52 118.16 121.43 3h88 n LYS 43 Ca 0.10 -2.36 -0.21 0.00 -2.02 0.00 0.00 58.31 53.82 3h88 n LYS 43 Cb 0.45 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 3h88 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h88 n GLN 44 N 1.16 1.30 -0.13 1.97 10.64 -1.26 -4.99 117.38 126.08 3h88 n GLN 44 Ca 0.19 -3.61 -0.00 0.00 -1.83 0.00 0.00 57.00 51.75 3h88 n GLN 44 Cb 0.54 -1.72 0.27 0.00 -0.86 0.00 0.00 30.24 28.46 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.21 0.81 -0.56 2.61 4.20 -1.89 0.23 115.11 123.73 3h88 h GLN 45 Ca 0.10 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3h88 h GLN 45 Cb 0.88 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3h88 h GLN 45 CO 0.55 0.62 0.15 0.78 -0.67 0.00 0.00 178.83 180.26 3h88 h GLY 46 N 0.90 0.95 0.91 3.46 0.00 -1.94 0.34 103.07 107.70 3h88 h GLY 46 Ca 0.20 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3h88 h GLY 46 CO -0.03 0.55 0.07 -0.09 0.00 0.00 0.00 176.54 177.04 3h88 h ARG 47 N 0.79 0.57 -0.21 4.80 2.43 -1.75 0.18 114.38 121.19 3h88 h ARG 47 Ca 0.18 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3h88 h ARG 47 Cb 0.32 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3h88 h ARG 47 CO -0.00 0.63 -0.01 0.35 -1.51 0.00 0.00 179.97 179.43 3h88 h PHE 48 N 0.41 -0.03 -0.24 2.20 3.57 -0.77 -2.37 116.94 119.71 3h88 h PHE 48 Ca 0.11 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 3h88 h PHE 48 Cb 0.32 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3h88 h PHE 48 CO 0.02 -0.04 -0.48 1.25 -2.23 0.00 0.00 178.31 176.83 3h88 h LEU 49 N 0.05 0.71 -0.70 0.59 5.85 -0.77 -2.53 115.31 118.51 3h88 h LEU 49 Ca 0.10 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.54 3h88 h LEU 49 Cb 0.13 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3h88 h LEU 49 CO -0.17 1.08 0.38 0.00 -0.34 0.00 0.00 178.44 179.38 3h88 h ALA 50 N 0.95 0.96 -0.51 1.25 0.00 -0.36 0.17 119.26 121.72 3h88 h ALA 50 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 50 Cb 1.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3h88 h ALA 50 CO 0.10 0.02 0.18 0.87 0.00 0.00 0.00 179.25 180.41 3h88 h LYS 51 N 0.67 0.79 -0.59 0.00 1.57 -1.26 -1.30 116.57 116.45 3h88 h LYS 51 Ca 0.33 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3h88 h LYS 51 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3h88 h LYS 51 CO -0.22 0.72 0.14 0.00 -0.57 0.00 0.00 179.45 179.51 3h88 h ARG 52 N 0.70 0.95 -0.16 3.15 2.47 -1.00 -1.49 114.38 119.00 3h88 h ARG 52 Ca 0.17 -0.23 0.04 0.00 -1.26 0.00 0.00 59.98 58.69 3h88 h ARG 52 Cb 0.24 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 3h88 h ARG 52 CO -0.01 0.88 -0.07 0.35 0.56 0.00 0.00 179.97 181.68 3h88 h PHE 53 N 0.85 -0.16 -0.66 3.04 3.57 -0.52 -0.62 116.94 122.45 3h88 h PHE 53 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3h88 h PHE 53 Cb 0.36 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3h88 h PHE 53 CO 0.03 -0.11 0.29 0.00 -2.23 0.00 0.00 178.31 176.29 3h88 h ALA 54 N 1.10 0.85 -0.40 2.41 0.00 -1.12 -1.06 119.26 121.03 3h88 h ALA 54 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h88 h ALA 54 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 54 CO -0.19 0.43 0.16 0.00 0.00 0.00 0.00 179.25 179.65 3h88 h ALA 55 N 1.13 0.52 -0.58 0.00 0.00 -0.88 -0.45 119.26 119.01 3h88 h ALA 55 Ca 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3h88 h ALA 55 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3h88 h ALA 55 CO -0.02 0.13 -0.05 0.87 0.00 0.00 0.00 179.25 180.18 3h88 h LYS 56 N 0.51 1.04 -0.75 0.00 1.57 -0.99 0.10 116.57 118.06 3h88 h LYS 56 Ca 0.13 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3h88 h LYS 56 Cb 0.20 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3h88 h LYS 56 CO -0.01 1.05 0.36 0.93 -0.57 0.00 0.00 179.45 181.21 3h88 h GLU 57 N 0.94 1.07 -0.55 3.15 5.08 -1.09 -0.57 114.58 122.61 3h88 h GLU 57 Ca 0.16 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3h88 h GLU 57 Cb 0.61 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3h88 h GLU 57 CO 0.04 0.84 0.05 0.00 -1.00 0.00 0.00 179.01 178.93 3h88 h ALA 58 N 1.18 0.74 -0.66 3.43 0.00 -0.71 -1.64 119.26 121.60 3h88 h ALA 58 Ca 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 58 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h88 h ALA 58 CO -0.03 0.52 0.36 0.00 0.00 0.00 0.00 179.25 180.10 3h88 h ALA 59 N 0.98 0.84 -0.12 0.00 0.00 -0.51 -1.01 119.26 119.43 3h88 h ALA 59 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 59 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h88 h ALA 59 CO 0.02 0.36 -0.19 0.66 0.00 0.00 0.00 179.25 180.09 3h88 h SER 60 N 0.90 0.19 0.17 0.00 4.64 -0.77 -0.86 113.55 117.82 3h88 h SER 60 Ca 0.23 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 3h88 h SER 60 Cb 0.04 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3h88 h SER 60 CO -0.04 0.40 -0.73 0.11 -0.87 0.00 0.00 176.83 175.70 3h88 h LYS 61 N 0.18 0.49 0.00 4.77 1.57 -0.85 -0.75 116.57 121.99 3h88 h LYS 61 Ca 0.03 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 3h88 h LYS 61 Cb 0.46 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3h88 h LYS 61 CO 0.03 1.03 -0.20 0.00 -0.57 0.00 0.00 179.45 179.74 3h88 h ALA 62 N 0.86 1.44 0.00 3.86 0.00 0.14 -0.96 119.26 124.59 3h88 h ALA 62 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h88 h ALA 62 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h88 h ALA 62 CO 0.13 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.56 3h88 h LEU 63 N 0.00 0.00 0.00 0.00 3.38 -1.12 -3.36 115.31 114.21 3h88 h LEU 63 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h88 h LEU 63 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h88 h LEU 63 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3h88 n GLY 64 N 0.54 0.77 0.03 0.83 0.00 -0.37 -4.92 105.19 102.07 3h88 n GLY 64 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.30 0.42 -4.44 2.61 -2.24 -1.16 -5.04 114.28 102.12 3h88 n THR 65 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h88 n THR 65 Cb 0.00 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 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 2.60 -1.32 3.50 3.38 0.00 -0.30 -4.21 105.19 108.84 3h88 n GLY 66 Ca -0.10 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 4.48 0.02 -0.61 -1.09 -1.26 -4.72 121.20 118.01 3h88 s ILE 67 Ca 0.00 -1.65 -0.28 0.00 -2.23 0.00 0.00 60.65 56.49 3h88 s ILE 67 Cb 0.00 -4.96 0.10 0.00 -1.58 0.00 0.00 42.46 36.02 3h88 s ILE 67 CO 0.00 -1.74 1.24 0.00 -1.23 0.00 0.00 174.94 173.22 3h88 s ALA 68 N 3.31 -2.26 -1.61 9.38 0.00 -1.13 -4.97 121.76 124.49 3h88 s ALA 68 Ca 0.42 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 3h88 s ALA 68 Cb -0.02 0.72 0.12 0.00 0.00 0.00 0.00 23.12 23.94 3h88 s ALA 68 CO -0.05 -1.11 0.90 1.04 0.00 0.00 0.00 175.76 176.54 3h88 n GLN 69 N -0.75 -4.45 -0.17 0.00 1.13 -1.26 -0.60 117.38 111.28 3h88 n GLN 69 Ca -0.01 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 3h88 n GLN 69 Cb 0.60 -5.32 0.00 0.00 0.11 0.00 0.00 30.24 25.63 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 -1.55 2.18 3.69 1.08 0.00 -1.26 -5.02 105.19 104.32 3h88 n GLY 70 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.01 4.94 0.34 1.61 1.01 0.23 -4.53 120.40 120.99 3h88 s VAL 71 Ca 0.00 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.70 3h88 s VAL 71 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3h88 s VAL 71 CO 0.00 0.13 -0.05 0.42 0.00 0.00 0.00 175.10 175.60 3h88 s THR 72 N 1.45 1.91 0.43 3.92 -4.23 -1.26 -2.85 115.64 115.02 3h88 s THR 72 Ca 0.41 -2.12 0.14 0.00 -1.18 0.00 0.00 61.69 58.94 3h88 s THR 72 Cb -0.18 -2.67 0.34 0.00 1.34 0.00 0.00 72.50 71.33 3h88 s THR 72 CO 0.17 -0.17 1.96 -0.26 -0.54 0.00 0.00 174.62 175.78 3h88 h PHE 73 N 2.06 0.47 0.00 3.99 -1.00 -1.88 -0.12 116.94 120.46 3h88 h PHE 73 Ca -0.42 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.38 3h88 h PHE 73 Cb 1.24 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.65 3h88 h PHE 73 CO 0.72 0.21 0.00 0.72 -1.61 0.00 0.00 178.31 178.34 3h88 n HIS 74 N -4.47 0.00 1.56 -0.55 8.25 -1.26 -2.49 115.22 116.26 3h88 n HIS 74 Ca 0.11 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.72 3h88 n HIS 74 Cb 0.42 -0.34 0.68 0.00 1.12 0.00 0.00 29.99 31.87 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 -1.34 0.54 -4.36 0.41 8.00 -0.06 -4.73 116.55 115.01 3h88 n ASP 75 Ca 0.08 -0.84 -0.32 0.00 0.71 0.00 0.00 54.79 54.42 3h88 n ASP 75 Cb 0.16 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.28 2.65 -0.11 1.24 0.40 -1.04 -0.32 117.98 118.52 3h88 s PHE 76 Ca 0.35 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3h88 s PHE 76 Cb 0.21 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 42.05 3h88 s PHE 76 CO 0.42 -0.11 -0.18 0.99 0.70 0.00 0.00 175.22 177.05 3h88 s THR 77 N -0.13 1.68 -0.20 0.64 2.01 0.04 -4.75 115.64 114.93 3h88 s THR 77 Ca -0.03 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 3h88 s THR 77 Cb -0.14 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3h88 s THR 77 CO 0.04 0.48 0.21 -0.63 -0.69 0.00 0.00 174.62 174.02 3h88 s ILE 78 N 0.82 5.35 0.44 1.82 1.09 -1.26 -0.79 121.20 128.66 3h88 s ILE 78 Ca -0.09 0.33 0.04 0.00 -1.10 0.00 0.00 60.65 59.83 3h88 s ILE 78 Cb -0.16 -3.55 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 3h88 s ILE 78 CO 0.00 0.39 0.13 -0.55 -0.10 0.00 0.00 174.94 174.81 3h88 s SER 79 N 0.61 3.06 0.05 3.58 0.15 0.06 -4.95 113.70 116.26 3h88 s SER 79 Ca 0.11 -1.73 0.01 0.00 0.70 0.00 0.00 55.95 55.04 3h88 s SER 79 Cb -0.12 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 3h88 s SER 79 CO 0.02 -0.99 -0.06 -1.00 1.20 0.00 0.00 173.24 172.41 3h88 s HIS 80 N -3.14 0.61 0.87 3.44 3.76 -1.26 -0.05 115.29 119.52 3h88 s HIS 80 Ca 0.19 -0.61 -0.09 0.00 -0.15 0.00 0.00 55.06 54.40 3h88 s HIS 80 Cb 0.01 -0.38 0.18 0.00 1.11 0.00 0.00 32.58 33.51 3h88 s HIS 80 CO 0.13 -0.13 1.20 0.16 -0.85 0.00 0.00 174.74 175.24 3h88 s ASP 81 N -1.87 3.52 0.40 1.40 1.47 -0.09 -4.92 116.67 116.59 3h88 s ASP 81 Ca -0.07 -0.09 0.28 0.00 1.18 0.00 0.00 52.55 53.86 3h88 s ASP 81 Cb -0.06 -0.04 1.24 0.00 -0.34 0.00 0.00 42.92 43.71 3h88 s ASP 81 CO -0.01 -2.44 1.85 0.07 0.68 0.00 0.00 175.17 175.32 3h88 h LYS 82 N -1.21 0.00 -0.01 2.11 2.10 -2.02 -1.38 116.57 116.16 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 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3h88 h LYS 82 CO 0.36 0.00 -0.15 1.28 -2.00 0.00 0.00 179.45 178.95 3h88 n LEU 83 N -2.60 1.61 0.00 7.07 4.77 -1.26 -4.95 117.00 121.64 3h88 n LEU 83 Ca 0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3h88 n LEU 83 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3h88 n LEU 83 CO 0.21 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3h88 n GLY 84 N 1.29 0.30 3.73 -0.72 0.00 -0.52 -5.07 105.19 104.19 3h88 n GLY 84 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.82 4.15 0.42 1.61 2.20 -1.26 -4.73 119.74 121.32 3h88 s LYS 85 Ca 0.00 2.53 -0.22 0.00 -0.36 0.00 0.00 55.97 57.92 3h88 s LYS 85 Cb 0.00 -3.08 -0.10 0.00 -1.51 0.00 0.00 37.83 33.14 3h88 s LYS 85 CO 0.00 -0.67 0.97 -1.25 -0.36 0.00 0.00 175.35 174.04 3h88 s PRO 86 N 0.60 4.20 0.02 4.03 0.04 -1.26 -0.91 135.00 141.72 3h88 s PRO 86 Ca 0.70 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.99 3h88 s PRO 86 Cb -0.47 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 3h88 s PRO 86 CO 0.37 -0.06 -0.15 -0.51 0.04 0.00 0.00 177.00 176.68 3h88 s LEU 87 N -3.06 2.11 -0.15 -3.56 1.43 0.93 -4.60 118.68 111.78 3h88 s LEU 87 Ca 0.61 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3h88 s LEU 87 Cb -0.12 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.39 3h88 s LEU 87 CO 0.16 0.11 -0.21 -0.22 0.23 0.00 0.00 176.35 176.42 3h88 s LEU 88 N -0.83 2.12 -0.13 1.79 2.96 -1.26 -0.76 118.68 122.57 3h88 s LEU 88 Ca 0.04 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3h88 s LEU 88 Cb -0.07 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3h88 s LEU 88 CO 0.01 0.06 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.32 3h88 s ILE 89 N 0.94 2.91 0.03 6.68 1.01 0.03 -4.95 121.20 127.86 3h88 s ILE 89 Ca -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3h88 s ILE 89 Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3h88 s ILE 89 CO -0.05 0.52 0.21 -0.76 0.00 0.00 0.00 174.94 174.86 3h88 s LEU 90 N 0.44 4.36 0.31 2.97 1.43 -1.26 -0.78 118.68 126.15 3h88 s LEU 90 Ca -0.10 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3h88 s LEU 90 Cb -0.16 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 3h88 s LEU 90 CO 0.05 0.21 0.39 -0.94 0.23 0.00 0.00 176.35 176.29 3h88 s SER 91 N -2.26 0.78 0.66 2.29 1.04 0.56 -4.63 113.70 112.14 3h88 s SER 91 Ca 0.32 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3h88 s SER 91 Cb -0.13 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3h88 s SER 91 CO 0.24 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3h88 n GLY 92 N -0.50 2.23 0.22 7.32 0.00 -1.26 -2.12 105.19 111.07 3h88 n GLY 92 Ca 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 0.04 -0.30 1.61 5.75 -1.95 -2.50 115.11 117.76 3h88 h GLN 93 Ca 0.00 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3h88 h GLN 93 Cb 0.00 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3h88 h GLN 93 CO 0.00 0.27 0.19 0.00 -2.65 0.00 0.00 178.83 176.64 3h88 h ALA 94 N 1.74 0.38 -0.77 3.38 0.00 -1.74 -0.83 119.26 121.42 3h88 h ALA 94 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3h88 h ALA 94 Cb 0.43 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3h88 h ALA 94 CO 0.03 -0.16 0.32 0.00 0.00 0.00 0.00 179.25 179.43 3h88 h ALA 95 N 1.12 1.11 -0.42 0.00 0.00 -1.00 0.40 119.26 120.47 3h88 h ALA 95 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 95 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3h88 h ALA 95 CO -0.03 0.64 0.21 0.93 0.00 0.00 0.00 179.25 180.99 3h88 h GLU 96 N 1.11 0.60 -0.76 0.00 5.08 -1.28 -0.03 114.58 119.30 3h88 h GLU 96 Ca 0.26 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3h88 h GLU 96 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3h88 h GLU 96 CO -0.02 0.51 0.26 -0.07 -1.00 0.00 0.00 179.01 178.69 3h88 h LEU 97 N 0.54 1.09 -1.23 1.33 3.38 -0.88 -0.17 115.31 119.37 3h88 h LEU 97 Ca 0.14 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3h88 h LEU 97 Cb 0.11 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3h88 h LEU 97 CO -0.02 1.00 -0.06 0.00 0.09 0.00 0.00 178.44 179.45 3h88 h ALA 98 N 1.14 1.37 0.01 1.53 0.00 -0.37 -1.00 119.26 121.94 3h88 h ALA 98 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h88 h ALA 98 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h88 h ALA 98 CO -0.01 0.43 -0.01 1.03 0.00 0.00 0.00 179.25 180.70 3h88 h SER 99 N 0.43 -0.02 -0.99 0.00 0.87 -0.61 0.13 113.55 113.37 3h88 h SER 99 Ca 0.09 -0.47 0.30 0.00 -1.23 0.00 0.00 61.79 60.48 3h88 h SER 99 Cb 0.38 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.20 3h88 h SER 99 CO 0.02 0.46 0.53 -0.61 -0.53 0.00 0.00 176.83 176.70 3h88 h GLN 100 N -0.50 0.35 -0.00 2.24 4.15 -0.54 0.18 115.11 120.98 3h88 h GLN 100 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3h88 h GLN 100 Cb 0.48 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.09 3h88 h GLN 100 CO 0.00 0.23 -0.08 1.28 -1.93 0.00 0.00 178.83 178.33 3h88 n LEU 101 N -5.04 0.52 -3.26 -2.39 4.32 -0.42 -4.91 117.00 105.81 3h88 n LEU 101 Ca 0.30 -0.05 -0.24 0.00 -0.02 0.00 0.00 56.01 56.00 3h88 n LEU 101 Cb 0.91 -0.14 0.04 0.00 -1.62 0.00 0.00 43.42 42.61 3h88 n LEU 101 CO 0.10 0.09 0.05 0.00 -1.22 0.00 0.00 177.39 176.41 3h88 n GLN 102 N -0.84 -5.28 -1.85 3.23 6.02 0.62 -4.83 117.38 114.46 3h88 n GLN 102 Ca 0.16 0.80 -0.42 0.00 -0.01 0.00 0.00 57.00 57.53 3h88 n GLN 102 Cb 0.26 -5.68 -0.03 0.00 1.02 0.00 0.00 30.24 25.82 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 -3.18 2.34 0.00 5.09 1.01 -0.04 -4.31 120.40 121.31 3h88 s VAL 103 Ca 0.40 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3h88 s VAL 103 Cb -0.19 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3h88 s VAL 103 CO 0.50 0.03 0.00 -0.62 0.00 0.00 0.00 175.10 175.00 3h88 n GLU 104 N 3.42 1.71 -3.88 2.72 1.02 -0.01 -4.84 120.64 120.78 3h88 n GLU 104 Ca 0.12 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 3h88 n GLU 104 Cb 0.37 -0.87 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.73 0.15 -0.10 1.62 -0.87 -0.94 -5.03 114.94 108.04 3h88 s ASN 105 Ca 0.00 -0.00 0.03 0.00 -1.57 0.00 0.00 52.86 51.32 3h88 s ASN 105 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 3h88 s ASN 105 CO 0.00 -0.05 -0.22 -0.63 -2.57 0.00 0.00 177.10 173.63 3h88 s ILE 106 N 0.48 1.90 -0.07 0.60 1.01 -1.26 -1.34 121.20 122.53 3h88 s ILE 106 Ca -0.04 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.74 3h88 s ILE 106 Cb -0.06 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3h88 s ILE 106 CO -0.01 0.52 -0.24 -1.00 0.00 0.00 0.00 174.94 174.21 3h88 s HIS 107 N 0.50 2.43 -0.03 3.97 3.76 -0.25 -4.83 115.29 120.84 3h88 s HIS 107 Ca -0.16 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 53.97 3h88 s HIS 107 Cb -0.17 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 31.93 3h88 s HIS 107 CO 0.06 -0.27 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.46 3h88 s LEU 108 N -0.01 1.62 0.03 0.89 2.96 -1.26 -0.82 118.68 122.10 3h88 s LEU 108 Ca -0.08 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3h88 s LEU 108 Cb -0.15 -0.38 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 3h88 s LEU 108 CO 0.05 0.00 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.41 3h88 s SER 109 N 0.44 1.43 0.03 3.68 0.15 -0.57 -4.63 113.70 114.23 3h88 s SER 109 Ca -0.06 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.23 3h88 s SER 109 Cb -0.09 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 3h88 s SER 109 CO -0.00 0.01 -0.15 -0.63 1.20 0.00 0.00 173.24 173.68 3h88 s ILE 110 N -0.80 1.17 0.03 6.45 1.01 -1.26 -1.49 121.20 126.30 3h88 s ILE 110 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 3h88 s ILE 110 Cb -0.07 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3h88 s ILE 110 CO 0.01 0.09 0.07 -0.55 0.00 0.00 0.00 174.94 174.56 3h88 s SER 111 N -0.96 0.21 0.05 3.58 0.15 -1.26 -5.01 113.70 110.46 3h88 s SER 111 Ca 0.03 -0.56 -0.10 0.00 0.70 0.00 0.00 55.95 56.03 3h88 s SER 111 Cb -0.07 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3h88 s SER 111 CO 0.01 -0.48 0.21 1.51 1.20 0.00 0.00 173.24 175.69 3h88 s ASP 112 N -2.06 0.03 0.00 5.45 -4.77 -1.26 -4.47 116.67 109.59 3h88 s ASP 112 Ca -0.06 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.77 3h88 s ASP 112 Cb -0.02 0.31 0.00 0.00 -1.09 0.00 0.00 42.92 42.12 3h88 s ASP 112 CO -0.04 -0.61 0.00 -0.62 0.70 0.00 0.00 175.17 174.59 3h88 n GLU 113 N 0.46 3.00 -0.22 2.11 -0.58 -0.29 -5.01 120.64 120.11 3h88 n GLU 113 Ca -0.18 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.58 3h88 n GLU 113 Cb 0.60 0.00 0.13 0.00 -0.57 0.00 0.00 31.44 31.60 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h88 h ARG 114 N 0.00 0.35 0.00 3.49 2.43 -2.04 -3.31 114.38 115.31 3h88 h ARG 114 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h88 h ARG 114 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3h88 h ARG 114 CO 0.00 0.23 -0.84 0.72 -1.51 0.00 0.00 179.97 178.57 3h88 n HIS 115 N -5.05 0.00 -4.39 2.20 8.25 -1.26 -4.90 115.22 110.07 3h88 n HIS 115 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 3h88 n HIS 115 Cb 0.33 -0.09 -0.14 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.19 1.23 0.52 4.41 1.51 -1.25 -1.21 117.35 120.38 3h88 s TYR 116 Ca 0.01 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3h88 s TYR 116 Cb 0.07 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 3h88 s TYR 116 CO 0.39 0.03 0.09 0.00 -1.11 0.00 0.00 175.55 174.95 3h88 s ALA 117 N -0.78 4.23 -0.25 3.71 0.00 0.05 -1.13 121.76 127.58 3h88 s ALA 117 Ca 0.02 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.16 3h88 s ALA 117 Cb -0.07 -0.15 0.17 0.00 0.00 0.00 0.00 23.12 23.06 3h88 s ALA 117 CO 0.01 -0.11 1.29 0.00 0.00 0.00 0.00 175.76 176.95 3h88 s ALA 119 N -2.86 -2.10 0.01 0.00 0.00 -0.56 0.09 121.76 116.34 3h88 s ALA 119 Ca 0.11 1.80 0.02 0.00 0.00 0.00 0.00 51.96 53.89 3h88 s ALA 119 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3h88 s ALA 119 CO 0.06 -0.38 -0.08 0.99 0.00 0.00 0.00 175.76 176.35 3h88 s THR 120 N -1.53 0.60 -0.03 0.00 2.01 -0.56 -1.48 115.64 114.66 3h88 s THR 120 Ca 0.08 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.53 3h88 s THR 120 Cb -0.01 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 3h88 s THR 120 CO -0.05 -0.01 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.05 3h88 s VAL 121 N -0.57 1.05 -0.06 3.82 1.01 0.32 -1.51 120.40 124.46 3h88 s VAL 121 Ca -0.01 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3h88 s VAL 121 Cb -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3h88 s VAL 121 CO 0.00 0.31 -0.25 -0.63 0.00 0.00 0.00 175.10 174.54 3h88 s ILE 122 N 0.11 2.03 -0.13 2.22 1.01 0.00 -1.22 121.20 125.22 3h88 s ILE 122 Ca -0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 3h88 s ILE 122 Cb -0.10 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3h88 s ILE 122 CO 0.01 0.56 0.05 -0.76 0.00 0.00 0.00 174.94 174.80 3h88 s LEU 123 N -0.18 3.80 0.03 2.97 1.43 -0.25 -1.09 118.68 125.40 3h88 s LEU 123 Ca -0.03 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3h88 s LEU 123 Cb -0.13 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3h88 s LEU 123 CO 0.03 0.30 -0.10 -1.83 0.23 0.00 0.00 176.35 174.98 3h88 s GLU 124 N -0.38 0.69 0.36 1.70 -1.05 -0.45 -0.43 118.70 119.14 3h88 s GLU 124 Ca 0.09 -0.62 0.08 0.00 -0.15 0.00 0.00 54.97 54.36 3h88 s GLU 124 Cb -0.12 -0.62 -0.03 0.00 -0.44 0.00 0.00 34.13 32.92 3h88 s GLU 124 CO 0.02 0.15 0.29 -0.98 0.95 0.00 0.00 175.26 175.69 3h88 s ARG 125 N -1.03 2.61 0.00 -4.83 1.70 -1.26 -0.83 118.95 115.31 3h88 s ARG 125 Ca -0.02 -1.41 0.32 0.00 -0.47 0.00 0.00 55.73 54.15 3h88 s ARG 125 Cb -0.07 -2.40 1.89 0.00 -0.57 0.00 0.00 34.95 33.81 3h88 s ARG 125 CO 0.01 0.01 2.22 0.54 -1.08 0.00 0.00 175.30 177.00