#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 3.43 -0.14 0.00 1.01 -1.26 -4.89 121.20 119.35 3h88 s ILE 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3h88 s ILE 2 Cb 0.00 -2.49 -0.24 0.00 0.01 0.00 0.00 42.46 39.74 3h88 s ILE 2 CO 0.00 0.49 0.30 0.52 0.00 0.00 0.00 174.94 176.24 3h88 n VAL 3 N 3.86 1.67 -3.47 2.92 0.31 0.63 -4.92 118.33 119.32 3h88 n VAL 3 Ca -0.18 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.37 3h88 n VAL 3 Cb 0.52 -1.46 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 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 -5.66 -0.53 -0.01 2.92 0.00 -1.09 -4.96 107.32 97.98 3h88 s GLY 4 Ca -0.20 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.21 3h88 s GLY 4 CO 0.75 0.22 -0.03 -2.27 0.00 0.00 0.00 173.10 171.78 3h88 s LEU 5 N -2.65 1.79 0.00 0.66 2.96 -1.25 -1.29 118.68 118.90 3h88 s LEU 5 Ca 0.03 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3h88 s LEU 5 Cb -0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 46.19 46.45 3h88 s LEU 5 CO -0.11 0.01 0.04 -0.83 -1.32 0.00 0.00 176.35 174.14 3h88 s GLY 6 N 0.21 0.11 0.04 7.98 0.00 -0.36 -3.59 107.32 111.70 3h88 s GLY 6 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 3h88 s GLY 6 CO -0.00 -0.33 0.10 -1.08 0.00 0.00 0.00 173.10 171.79 3h88 s THR 7 N -1.01 0.13 -0.17 0.90 -1.32 -1.26 -1.21 115.64 111.70 3h88 s THR 7 Ca -0.11 -1.08 -0.25 0.00 -1.21 0.00 0.00 61.69 59.04 3h88 s THR 7 Cb -0.07 -0.90 0.06 0.00 -1.51 0.00 0.00 72.50 70.09 3h88 s THR 7 CO -0.00 -0.59 0.65 -0.62 -2.21 0.00 0.00 174.62 171.84 3h88 s ASP 8 N -2.13 -0.65 -0.02 8.08 2.15 -0.48 -4.54 116.67 119.08 3h88 s ASP 8 Ca -0.05 1.07 0.06 0.00 0.43 0.00 0.00 52.55 54.07 3h88 s ASP 8 Cb -0.01 1.04 -0.01 0.00 -0.30 0.00 0.00 42.92 43.63 3h88 s ASP 8 CO -0.05 -0.36 -0.22 -0.51 -0.17 0.00 0.00 175.17 173.86 3h88 s ILE 9 N -0.24 1.72 -0.03 4.11 2.07 -1.26 -1.67 121.20 125.91 3h88 s ILE 9 Ca -0.04 -0.92 0.03 0.00 -1.41 0.00 0.00 60.65 58.31 3h88 s ILE 9 Cb -0.03 -1.44 0.00 0.00 0.13 0.00 0.00 42.46 41.12 3h88 s ILE 9 CO 0.04 0.49 -0.10 0.00 -1.91 0.00 0.00 174.94 173.45 3h88 s ALA 10 N -0.40 0.99 -0.25 1.50 0.00 0.13 -5.00 121.76 118.73 3h88 s ALA 10 Ca 0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 3h88 s ALA 10 Cb -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 3h88 s ALA 10 CO 0.00 0.16 0.83 -2.00 0.00 0.00 0.00 175.76 174.75 3h88 s GLU 11 N 0.19 4.17 0.21 0.00 2.12 -1.26 -1.12 118.70 123.01 3h88 s GLU 11 Ca -0.04 0.93 -0.05 0.00 0.36 0.00 0.00 54.97 56.17 3h88 s GLU 11 Cb -0.09 -3.65 0.16 0.00 0.26 0.00 0.00 34.13 30.81 3h88 s GLU 11 CO 0.01 -0.52 1.62 0.82 -0.54 0.00 0.00 175.26 176.64 3h88 h ILE 12 N 5.44 1.27 -0.43 -3.70 2.04 -1.46 -2.55 117.51 118.12 3h88 h ILE 12 Ca -0.23 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.32 3h88 h ILE 12 Cb 1.09 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3h88 h ILE 12 CO 0.87 0.45 0.29 -0.08 0.00 0.00 0.00 178.15 179.68 3h88 h GLU 13 N 0.71 0.47 -0.38 2.37 4.81 -1.92 -0.91 114.58 119.72 3h88 h GLU 13 Ca 0.10 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 3h88 h GLU 13 Cb 0.74 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3h88 h GLU 13 CO 0.06 0.31 -0.25 0.00 -0.73 0.00 0.00 179.01 178.40 3h88 h ARG 14 N 0.48 0.77 -0.51 1.92 3.08 -1.84 -0.90 114.38 117.38 3h88 h ARG 14 Ca 0.17 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3h88 h ARG 14 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3h88 h ARG 14 CO -0.04 0.94 0.12 0.28 -1.07 0.00 0.00 179.97 180.20 3h88 h VAL 15 N 0.67 1.24 -0.36 2.04 2.07 -1.23 -1.76 116.25 118.92 3h88 h VAL 15 Ca 0.09 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3h88 h VAL 15 Cb 0.77 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3h88 h VAL 15 CO 0.06 0.31 0.21 -0.33 0.02 0.00 0.00 177.57 177.85 3h88 h GLU 16 N 0.71 0.42 -0.65 1.57 5.08 -0.92 -1.10 114.58 119.70 3h88 h GLU 16 Ca 0.16 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3h88 h GLU 16 Cb 0.34 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3h88 h GLU 16 CO 0.00 0.28 0.33 0.87 -1.00 0.00 0.00 179.01 179.49 3h88 h LYS 17 N 0.43 0.57 -0.70 2.33 6.56 -1.09 -0.82 116.57 123.85 3h88 h LYS 17 Ca 0.14 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.65 3h88 h LYS 17 Cb 0.00 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.50 3h88 h LYS 17 CO -0.06 0.38 0.25 0.00 -2.06 0.00 0.00 179.45 177.95 3h88 h ALA 18 N 1.38 0.92 -0.60 3.86 0.00 -0.88 -2.32 119.26 121.62 3h88 h ALA 18 Ca 0.31 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3h88 h ALA 18 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h88 h ALA 18 CO -0.23 0.57 0.05 -0.07 0.00 0.00 0.00 179.25 179.57 3h88 h LEU 19 N 1.02 0.97 -1.56 0.00 3.38 -0.86 0.16 115.31 118.42 3h88 h LEU 19 Ca 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3h88 h LEU 19 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3h88 h LEU 19 CO -0.01 1.00 -0.23 0.00 0.09 0.00 0.00 178.44 179.28 3h88 h ALA 20 N 1.11 1.44 0.03 1.53 0.00 -0.66 -0.02 119.26 122.70 3h88 h ALA 20 Ca 0.18 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 3h88 h ALA 20 Cb 0.48 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h88 h ALA 20 CO 0.02 0.29 -1.55 0.54 0.00 0.00 0.00 179.25 178.55 3h88 n ARG 21 N -4.01 0.62 -0.00 0.00 1.74 -0.92 -4.74 116.66 109.35 3h88 n ARG 21 Ca -0.02 0.47 0.02 0.00 -0.77 0.00 0.00 57.85 57.56 3h88 n ARG 21 Cb 0.31 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 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 -4.16 0.97 0.00 0.55 7.64 0.55 -5.06 113.62 114.10 3h88 n SER 22 Ca -0.34 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.06 3h88 n SER 22 Cb 0.79 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 65.04 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 1.34 3.32 0.19 0.23 0.00 -0.02 -2.03 105.19 108.21 3h88 n GLY 23 Ca 0.01 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.77 1.61 4.39 -1.95 -0.52 114.58 117.34 3h88 h GLU 24 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 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 0.36 0.51 -0.91 -1.16 0.00 0.00 179.01 177.81 3h88 h ASN 25 N 0.00 0.81 0.06 1.42 -0.26 -1.84 0.24 115.58 116.02 3h88 h ASN 25 Ca -0.00 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3h88 h ASN 25 Cb 0.70 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 3h88 h ASN 25 CO 0.05 0.56 -0.03 0.15 -1.06 0.00 0.00 177.43 177.09 3h88 h PHE 26 N 0.94 -0.08 -0.86 1.19 3.57 -1.30 -3.30 116.94 117.10 3h88 h PHE 26 Ca 0.31 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.89 3h88 h PHE 26 Cb 0.06 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 3h88 h PHE 26 CO -0.00 0.49 0.56 0.00 -2.23 0.00 0.00 178.31 177.12 3h88 h ALA 27 N -0.28 1.63 0.00 2.41 0.00 -1.01 -1.97 119.26 120.05 3h88 h ALA 27 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 27 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h88 h ALA 27 CO 0.01 0.21 -0.42 0.00 0.00 0.00 0.00 179.25 179.05 3h88 h ARG 28 N 0.88 0.00 -0.15 0.00 3.08 -0.65 -1.30 114.38 116.24 3h88 h ARG 28 Ca 0.38 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.33 3h88 h ARG 28 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3h88 h ARG 28 CO -0.15 0.42 -0.36 0.00 -1.07 0.00 0.00 179.97 178.81 3h88 h ARG 29 N 0.00 0.32 0.15 0.04 3.08 -1.43 -3.31 114.38 113.23 3h88 h ARG 29 Ca -0.00 -0.14 -0.35 0.00 0.07 0.00 0.00 59.98 59.55 3h88 h ARG 29 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3h88 h ARG 29 CO 0.05 0.65 -1.82 0.82 -1.07 0.00 0.00 179.97 178.60 3h88 h ILE 30 N 0.27 0.84 -3.08 2.04 1.08 -1.44 -3.40 117.51 113.82 3h88 h ILE 30 Ca 0.03 -2.49 -0.68 0.00 -0.39 0.00 0.00 64.86 61.34 3h88 h ILE 30 Cb 0.77 2.65 -0.12 0.00 -3.07 0.00 0.00 36.82 37.05 3h88 h ILE 30 CO 0.06 0.85 -0.57 -0.76 -0.69 0.00 0.00 178.15 177.04 3h88 s LEU 31 N -7.11 3.87 0.77 1.44 1.43 -0.52 -4.40 118.68 114.15 3h88 s LEU 31 Ca -0.17 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 3h88 s LEU 31 Cb 0.06 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3h88 s LEU 31 CO 0.82 0.39 1.08 0.42 0.23 0.00 0.00 176.35 179.29 3h88 s THR 32 N -0.92 3.43 0.34 5.49 -4.23 -1.26 -4.67 115.64 113.82 3h88 s THR 32 Ca 0.14 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.20 3h88 s THR 32 Cb -0.12 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 71.01 3h88 s THR 32 CO 0.03 -0.60 1.83 0.44 -0.54 0.00 0.00 174.62 175.78 3h88 h ASP 33 N -1.06 0.69 -0.48 3.99 3.32 -1.99 -0.01 116.42 120.88 3h88 h ASP 33 Ca -0.44 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.54 3h88 h ASP 33 Cb 1.23 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3h88 h ASP 33 CO 0.54 0.31 -0.17 -1.28 -1.72 0.00 0.00 179.24 176.91 3h88 h SER 34 N 0.71 0.98 0.45 6.45 0.87 -2.03 -2.53 113.55 118.45 3h88 h SER 34 Ca 0.50 -0.38 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3h88 h SER 34 Cb 0.82 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3h88 h SER 34 CO -0.26 1.14 -0.30 -0.33 -0.53 0.00 0.00 176.83 176.56 3h88 h GLU 35 N 0.81 0.00 -0.26 2.24 5.08 -1.52 -3.00 114.58 117.92 3h88 h GLU 35 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3h88 h GLU 35 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3h88 h GLU 35 CO 0.06 0.30 0.18 -0.07 -1.00 0.00 0.00 179.01 178.47 3h88 h LEU 36 N 0.00 0.15 -0.38 1.33 3.38 -0.61 -2.14 115.31 117.04 3h88 h LEU 36 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h88 h LEU 36 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3h88 h LEU 36 CO 0.04 0.10 0.24 -0.33 0.09 0.00 0.00 178.44 178.58 3h88 h GLU 37 N 0.18 0.51 0.00 1.13 5.08 -1.51 0.44 114.58 120.40 3h88 h GLU 37 Ca 0.12 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3h88 h GLU 37 Cb 0.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3h88 h GLU 37 CO -0.02 0.36 -0.61 0.37 -1.00 0.00 0.00 179.01 178.11 3h88 h GLN 38 N 0.51 0.00 -0.22 2.33 5.75 -1.61 -2.91 115.11 118.96 3h88 h GLN 38 Ca 0.14 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3h88 h GLN 38 Cb -0.03 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3h88 h GLN 38 CO -0.03 0.61 0.01 0.35 -2.65 0.00 0.00 178.83 177.12 3h88 h PHE 39 N 0.00 0.42 0.00 3.99 3.57 -0.96 -2.80 116.94 121.17 3h88 h PHE 39 Ca -0.01 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 3h88 h PHE 39 Cb 1.26 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 3h88 h PHE 39 CO 0.00 0.56 -0.09 0.45 -2.23 0.00 0.00 178.31 177.00 3h88 h HIS 40 N 0.16 0.00 0.00 0.41 3.86 -0.04 -1.66 115.15 117.88 3h88 h HIS 40 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3h88 h HIS 40 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3h88 h HIS 40 CO 0.03 0.09 -0.06 0.00 0.86 0.00 0.00 177.93 178.85 3h88 h ALA 41 N 1.91 0.97 -2.46 2.45 0.00 -1.34 -3.46 119.26 117.33 3h88 h ALA 41 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 3h88 h ALA 41 Cb 0.21 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.06 3h88 h ALA 41 CO 0.01 0.00 0.40 0.45 0.00 0.00 0.00 179.25 180.11 3h88 s SER 42 N -5.31 5.71 0.00 0.00 0.15 -0.63 -4.94 113.70 108.69 3h88 s SER 42 Ca 0.08 2.01 0.17 0.00 0.70 0.00 0.00 55.95 58.91 3h88 s SER 42 Cb 0.09 -2.56 0.41 0.00 -1.71 0.00 0.00 66.02 62.25 3h88 s SER 42 CO 0.64 -1.22 1.33 0.29 1.20 0.00 0.00 173.24 175.48 3h88 n LYS 43 N -1.65 2.51 -3.20 5.44 5.02 -1.26 -4.52 118.16 120.49 3h88 n LYS 43 Ca 0.10 -2.20 -0.23 0.00 -2.02 0.00 0.00 58.31 53.97 3h88 n LYS 43 Cb 0.52 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.08 0.99 0.00 1.97 1.13 -1.26 -4.99 117.38 116.30 3h88 n GLN 44 Ca 0.17 -3.42 -0.02 0.00 -1.94 0.00 0.00 57.00 51.79 3h88 n GLN 44 Cb 0.51 -1.45 0.25 0.00 0.11 0.00 0.00 30.24 29.66 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3h88 h GLN 45 N 3.73 0.51 -0.18 -1.09 4.20 -1.89 -1.33 115.11 119.05 3h88 h GLN 45 Ca 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3h88 h GLN 45 Cb 0.88 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3h88 h GLN 45 CO 0.51 0.63 0.08 0.78 -0.67 0.00 0.00 178.83 180.16 3h88 h GLY 46 N 0.93 0.28 1.12 3.46 0.00 -1.94 0.71 103.07 107.63 3h88 h GLY 46 Ca 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3h88 h GLY 46 CO 0.03 0.14 0.31 3.21 0.00 0.00 0.00 176.54 180.23 3h88 h ARG 47 N 0.16 1.12 -0.08 4.80 3.08 -1.78 -0.22 114.38 121.45 3h88 h ARG 47 Ca 0.06 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3h88 h ARG 47 Cb 0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3h88 h ARG 47 CO -0.01 0.90 0.04 0.35 -1.07 0.00 0.00 179.97 180.18 3h88 h PHE 48 N 1.09 0.12 -0.15 3.04 3.57 -0.97 -2.48 116.94 121.16 3h88 h PHE 48 Ca 0.25 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.57 3h88 h PHE 48 Cb 0.19 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3h88 h PHE 48 CO 0.02 0.17 -0.64 1.25 -2.23 0.00 0.00 178.31 176.88 3h88 h LEU 49 N 0.03 0.63 -0.94 0.59 5.85 -0.73 -2.45 115.31 118.29 3h88 h LEU 49 Ca 0.03 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.48 3h88 h LEU 49 Cb 0.09 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 3h88 h LEU 49 CO -0.00 1.10 0.58 0.00 -0.34 0.00 0.00 178.44 179.78 3h88 h ALA 50 N 0.90 1.37 -0.37 1.25 0.00 -0.95 0.28 119.26 121.74 3h88 h ALA 50 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3h88 h ALA 50 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3h88 h ALA 50 CO 0.12 0.24 -0.17 0.87 0.00 0.00 0.00 179.25 180.31 3h88 h LYS 51 N 0.97 0.77 -0.48 0.00 1.57 -1.15 -1.03 116.57 117.23 3h88 h LYS 51 Ca 0.45 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3h88 h LYS 51 Cb 0.36 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3h88 h LYS 51 CO -0.23 0.95 0.19 0.00 -0.57 0.00 0.00 179.45 179.79 3h88 h ARG 52 N 0.56 0.71 -0.27 3.15 2.47 -1.04 -0.63 114.38 119.35 3h88 h ARG 52 Ca 0.08 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3h88 h ARG 52 Cb 0.71 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 3h88 h ARG 52 CO 0.05 0.64 0.14 0.35 0.56 0.00 0.00 179.97 181.71 3h88 h PHE 53 N 0.63 0.27 -0.43 3.04 3.57 -0.35 -0.89 116.94 122.78 3h88 h PHE 53 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3h88 h PHE 53 Cb 0.19 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3h88 h PHE 53 CO 0.00 0.15 0.19 0.00 -2.23 0.00 0.00 178.31 176.43 3h88 h ALA 54 N 1.13 0.56 -0.74 2.41 0.00 -0.95 -1.06 119.26 120.60 3h88 h ALA 54 Ca 0.11 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 54 Cb 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3h88 h ALA 54 CO -0.06 0.15 0.43 0.00 0.00 0.00 0.00 179.25 179.77 3h88 h ALA 55 N 1.04 1.01 -0.07 0.00 0.00 -0.72 -0.85 119.26 119.66 3h88 h ALA 55 Ca 0.15 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 55 Cb 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h88 h ALA 55 CO -0.02 0.13 -0.54 0.87 0.00 0.00 0.00 179.25 179.70 3h88 h LYS 56 N 0.79 0.49 -0.57 0.00 1.57 -1.04 0.33 116.57 118.14 3h88 h LYS 56 Ca 0.33 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3h88 h LYS 56 Cb 0.19 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3h88 h LYS 56 CO -0.18 1.07 0.29 0.93 -0.57 0.00 0.00 179.45 180.99 3h88 h GLU 57 N 0.06 0.54 -0.59 3.15 5.08 -1.13 -0.45 114.58 121.23 3h88 h GLU 57 Ca -0.05 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h88 h GLU 57 Cb 1.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 3h88 h GLU 57 CO 0.11 0.36 0.38 0.00 -1.00 0.00 0.00 179.01 178.86 3h88 h ALA 58 N 1.31 0.76 -0.84 3.43 0.00 -1.04 -1.83 119.26 121.04 3h88 h ALA 58 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h88 h ALA 58 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3h88 h ALA 58 CO -0.18 0.15 0.53 0.00 0.00 0.00 0.00 179.25 179.75 3h88 h ALA 59 N 1.24 1.07 -0.17 0.00 0.00 -0.55 -1.12 119.26 119.72 3h88 h ALA 59 Ca 0.23 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3h88 h ALA 59 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3h88 h ALA 59 CO -0.07 0.51 -0.18 0.66 0.00 0.00 0.00 179.25 180.17 3h88 h SER 60 N 1.15 0.28 -0.39 0.00 4.64 -0.73 -1.90 113.55 116.60 3h88 h SER 60 Ca 0.31 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.41 3h88 h SER 60 Cb -0.08 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3h88 h SER 60 CO -0.06 0.48 -0.31 0.11 -0.87 0.00 0.00 176.83 176.18 3h88 h LYS 61 N 0.27 0.89 -0.40 4.77 1.57 -0.85 -1.02 116.57 121.80 3h88 h LYS 61 Ca 0.05 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3h88 h LYS 61 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3h88 h LYS 61 CO 0.03 1.09 0.27 0.00 -0.57 0.00 0.00 179.45 180.27 3h88 h ALA 62 N 0.78 1.71 0.00 3.86 0.00 -0.65 -1.36 119.26 123.60 3h88 h ALA 62 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3h88 h ALA 62 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h88 h ALA 62 CO 0.08 0.27 -0.38 1.25 0.00 0.00 0.00 179.25 180.47 3h88 h LEU 63 N 0.55 0.00 0.00 0.00 5.85 -1.32 -3.33 115.31 117.06 3h88 h LEU 63 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h88 h LEU 63 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3h88 h LEU 63 CO -0.03 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 3h88 n GLY 64 N 0.03 0.71 0.05 3.75 0.00 -0.51 -4.95 105.19 104.26 3h88 n GLY 64 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.05 0.68 -4.47 2.61 -2.24 -1.13 -5.03 114.28 102.65 3h88 n THR 65 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3h88 n THR 65 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 2.10 -1.29 3.40 3.38 0.00 -0.40 -4.25 105.19 108.13 3h88 n GLY 66 Ca -0.17 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.21 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 4.97 0.00 -0.61 -1.09 -1.26 -4.80 121.20 118.41 3h88 s ILE 67 Ca 0.00 -1.66 0.00 0.00 -2.23 0.00 0.00 60.65 56.76 3h88 s ILE 67 Cb 0.00 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 3h88 s ILE 67 CO 0.00 -1.30 0.00 0.00 -1.23 0.00 0.00 174.94 172.41 3h88 n ALA 68 N 5.85 0.00 -2.99 9.38 0.00 -0.99 -4.98 120.51 126.78 3h88 n ALA 68 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 3h88 n ALA 68 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 3h88 n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h88 n GLN 69 N -0.01 -3.46 -0.01 0.00 1.13 -1.26 -0.75 117.38 113.01 3h88 n GLN 69 Ca 0.00 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 3h88 n GLN 69 Cb 0.00 -5.39 0.00 0.00 0.11 0.00 0.00 30.24 24.96 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 -1.18 1.41 3.74 1.08 0.00 -1.26 -5.02 105.19 103.95 3h88 n GLY 70 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.48 4.84 0.32 1.61 1.01 0.07 -4.56 120.40 121.21 3h88 s VAL 71 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.59 3h88 s VAL 71 Cb 0.00 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 3h88 s VAL 71 CO 0.00 0.33 0.07 0.42 0.00 0.00 0.00 175.10 175.91 3h88 s THR 72 N 0.22 1.08 0.44 3.92 -4.23 -1.26 -2.34 115.64 113.47 3h88 s THR 72 Ca 0.38 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.00 3h88 s THR 72 Cb -0.20 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 71.14 3h88 s THR 72 CO 0.21 0.00 2.05 -0.26 -0.54 0.00 0.00 174.62 176.09 3h88 h PHE 73 N 2.12 0.28 0.00 3.99 0.04 -1.88 -1.13 116.94 120.36 3h88 h PHE 73 Ca -0.40 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 3h88 h PHE 73 Cb 1.25 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3h88 h PHE 73 CO 0.63 0.23 0.00 0.72 -0.60 0.00 0.00 178.31 179.28 3h88 n HIS 74 N -4.45 0.27 2.00 -0.55 8.25 -1.26 -2.65 115.22 116.83 3h88 n HIS 74 Ca 0.00 0.11 0.16 0.00 -0.26 0.00 0.00 57.72 57.73 3h88 n HIS 74 Cb 0.12 -0.68 0.94 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.75 0.00 -4.08 0.41 8.00 -0.43 -4.72 116.55 113.98 3h88 n ASP 75 Ca 0.03 -1.00 -0.28 0.00 0.71 0.00 0.00 54.79 54.25 3h88 n ASP 75 Cb 0.17 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.00 1.90 -0.05 1.24 0.08 -1.08 -0.36 117.98 117.71 3h88 s PHE 76 Ca 0.48 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.77 3h88 s PHE 76 Cb 0.22 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 3h88 s PHE 76 CO 0.37 -0.38 -0.17 0.99 -0.10 0.00 0.00 175.22 175.93 3h88 s THR 77 N 0.69 1.41 -0.18 0.64 2.01 -0.20 -4.82 115.64 115.19 3h88 s THR 77 Ca -0.13 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 3h88 s THR 77 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3h88 s THR 77 CO 0.03 0.41 0.03 -0.63 -0.69 0.00 0.00 174.62 173.77 3h88 s ILE 78 N 0.18 4.39 0.00 1.82 -1.09 -1.26 -1.40 121.20 123.84 3h88 s ILE 78 Ca -0.07 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 3h88 s ILE 78 Cb -0.13 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 3h88 s ILE 78 CO 0.03 0.45 0.00 -1.54 -1.23 0.00 0.00 174.94 172.65 3h88 n SER 79 N 3.78 1.14 -3.97 3.58 3.41 -0.11 -4.97 113.62 116.48 3h88 n SER 79 Ca -0.17 -0.99 -0.09 0.00 -0.26 0.00 0.00 58.87 57.36 3h88 n SER 79 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.42 0.25 0.89 7.33 3.76 -1.26 -0.51 115.29 124.32 3h88 s HIS 80 Ca 0.00 -0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 54.26 3h88 s HIS 80 Cb 0.00 -0.18 0.17 0.00 1.11 0.00 0.00 32.58 33.67 3h88 s HIS 80 CO 0.00 -0.24 1.24 0.16 -0.85 0.00 0.00 174.74 175.05 3h88 s ASP 81 N -1.65 3.58 0.60 1.40 1.47 -0.43 -4.93 116.67 116.72 3h88 s ASP 81 Ca -0.13 0.24 0.36 0.00 1.18 0.00 0.00 52.55 54.21 3h88 s ASP 81 Cb -0.07 -0.43 1.90 0.00 -0.34 0.00 0.00 42.92 43.98 3h88 s ASP 81 CO -0.02 -2.43 2.21 0.11 0.68 0.00 0.00 175.17 175.72 3h88 h LYS 82 N -1.33 0.00 -0.02 2.11 1.57 -2.02 -0.98 116.57 115.90 3h88 h LYS 82 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3h88 h LYS 82 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3h88 h LYS 82 CO 0.43 0.03 -0.19 1.28 -0.57 0.00 0.00 179.45 180.43 3h88 n LEU 83 N -3.34 2.08 0.00 2.94 4.77 -1.26 -4.95 117.00 117.25 3h88 n LEU 83 Ca -0.02 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3h88 n LEU 83 Cb 0.16 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3h88 n LEU 83 CO 0.25 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3h88 n GLY 84 N 1.34 0.58 3.74 -0.72 0.00 -0.37 -5.06 105.19 104.69 3h88 n GLY 84 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.73 4.43 0.37 1.61 2.20 -1.26 -4.75 119.74 121.61 3h88 s LYS 85 Ca 0.00 1.96 -0.24 0.00 -0.36 0.00 0.00 55.97 57.33 3h88 s LYS 85 Cb 0.00 -3.22 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 3h88 s LYS 85 CO 0.00 -0.19 0.94 -1.25 -0.36 0.00 0.00 175.35 174.49 3h88 s PRO 86 N -0.07 4.43 0.03 4.03 0.04 -1.26 -1.31 135.00 140.89 3h88 s PRO 86 Ca 0.55 1.23 0.05 0.00 0.04 0.00 0.00 61.00 62.87 3h88 s PRO 86 Cb -0.34 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 3h88 s PRO 86 CO 0.37 0.15 -0.14 -0.51 0.04 0.00 0.00 177.00 176.91 3h88 s LEU 87 N -2.52 2.16 -0.09 -3.56 1.43 0.33 -4.54 118.68 111.89 3h88 s LEU 87 Ca 0.55 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3h88 s LEU 87 Cb -0.15 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 3h88 s LEU 87 CO 0.19 0.04 -0.24 -0.22 0.23 0.00 0.00 176.35 176.35 3h88 s LEU 88 N -1.08 2.07 -0.04 1.79 2.96 -1.26 -0.93 118.68 122.19 3h88 s LEU 88 Ca 0.02 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 3h88 s LEU 88 Cb -0.08 -1.38 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 3h88 s LEU 88 CO 0.01 0.18 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.43 3h88 s ILE 89 N 0.23 1.29 0.16 6.68 1.01 -0.50 -4.91 121.20 125.15 3h88 s ILE 89 Ca -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3h88 s ILE 89 Cb -0.17 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 3h88 s ILE 89 CO 0.08 0.38 0.36 -0.76 0.00 0.00 0.00 174.94 175.00 3h88 s LEU 90 N 0.12 4.26 0.00 2.97 1.43 -1.26 -1.03 118.68 125.16 3h88 s LEU 90 Ca -0.05 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3h88 s LEU 90 Cb -0.11 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 3h88 s LEU 90 CO 0.02 0.03 0.29 -1.54 0.23 0.00 0.00 176.35 175.37 3h88 n SER 91 N -0.19 -0.77 0.00 2.29 3.41 0.51 -4.66 113.62 114.21 3h88 n SER 91 Ca -0.04 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 3h88 n SER 91 Cb 0.52 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 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 -0.45 1.73 0.22 5.00 0.00 -1.26 -1.86 105.19 108.57 3h88 n GLY 92 Ca 0.03 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 0.02 -0.44 1.61 5.75 -1.95 -1.98 115.11 118.13 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 28.52 3h88 h GLN 93 CO 0.00 0.23 0.28 0.00 -2.65 0.00 0.00 178.83 176.69 3h88 h ALA 94 N 1.77 0.55 -0.27 3.38 0.00 -1.77 -0.13 119.26 122.79 3h88 h ALA 94 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3h88 h ALA 94 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h88 h ALA 94 CO 0.03 -0.02 -0.25 0.00 0.00 0.00 0.00 179.25 179.01 3h88 h ALA 95 N 1.17 1.06 -0.40 0.00 0.00 -0.77 -0.71 119.26 119.62 3h88 h ALA 95 Ca 0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3h88 h ALA 95 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3h88 h ALA 95 CO -0.05 0.57 0.05 0.93 0.00 0.00 0.00 179.25 180.76 3h88 h GLU 96 N 0.46 0.67 -0.45 0.00 4.39 -0.92 -1.09 114.58 117.64 3h88 h GLU 96 Ca 0.07 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 3h88 h GLU 96 Cb 0.68 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3h88 h GLU 96 CO 0.05 0.72 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.43 3h88 h LEU 97 N 0.51 0.81 -1.15 1.33 3.38 -0.90 -2.17 115.31 117.13 3h88 h LEU 97 Ca 0.12 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3h88 h LEU 97 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3h88 h LEU 97 CO 0.01 0.95 -0.08 0.00 0.09 0.00 0.00 178.44 179.41 3h88 h ALA 98 N 1.13 1.29 -0.35 1.53 0.00 -0.94 -0.32 119.26 121.60 3h88 h ALA 98 Ca 0.12 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3h88 h ALA 98 Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h88 h ALA 98 CO 0.04 0.47 -0.40 0.77 0.00 0.00 0.00 179.25 180.14 3h88 h SER 99 N 0.47 0.95 -0.35 0.00 0.02 -0.98 0.47 113.55 114.13 3h88 h SER 99 Ca 0.09 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 3h88 h SER 99 Cb 0.43 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3h88 h SER 99 CO 0.02 1.24 0.12 1.56 -1.14 0.00 0.00 176.83 178.63 3h88 h GLN 100 N 0.68 0.61 -0.00 3.45 4.20 -0.84 -1.81 115.11 121.40 3h88 h GLN 100 Ca 0.05 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3h88 h GLN 100 Cb 0.99 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3h88 h GLN 100 CO 0.10 0.54 -0.01 1.28 -0.67 0.00 0.00 178.83 180.07 3h88 n LEU 101 N -4.33 0.10 -2.55 1.46 4.77 -0.18 -4.91 117.00 111.36 3h88 n LEU 101 Ca 0.03 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.90 3h88 n LEU 101 Cb 0.18 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3h88 n LEU 101 CO 0.38 0.02 0.04 0.00 -1.33 0.00 0.00 177.39 176.50 3h88 n GLN 102 N -1.05 -4.44 -1.96 3.23 6.02 -0.68 -4.86 117.38 113.65 3h88 n GLN 102 Ca 0.20 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.48 3h88 n GLN 102 Cb 0.18 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.21 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 -3.09 2.82 0.00 5.09 1.01 0.08 -4.36 120.40 121.95 3h88 s VAL 103 Ca 0.29 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3h88 s VAL 103 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3h88 s VAL 103 CO 0.36 0.03 0.00 -0.62 0.00 0.00 0.00 175.10 174.86 3h88 n GLU 104 N 4.50 0.85 -3.82 2.72 1.02 0.38 -4.83 120.64 121.46 3h88 n GLU 104 Ca 0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 3h88 n GLU 104 Cb 0.39 -0.97 -0.15 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.03 0.01 -0.06 1.62 0.01 -0.73 -5.02 114.94 108.74 3h88 s ASN 105 Ca 0.00 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.23 3h88 s ASN 105 Cb 0.00 0.01 0.01 0.00 0.41 0.00 0.00 41.25 41.68 3h88 s ASN 105 CO 0.00 -0.06 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.77 3h88 s ILE 106 N 0.48 1.16 -0.04 0.60 1.01 -1.26 -1.07 121.20 122.08 3h88 s ILE 106 Ca -0.04 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3h88 s ILE 106 Cb -0.06 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.37 3h88 s ILE 106 CO -0.01 0.35 -0.15 -1.00 0.00 0.00 0.00 174.94 174.13 3h88 s HIS 107 N 0.47 1.51 -0.01 3.97 3.76 -0.26 -4.80 115.29 119.94 3h88 s HIS 107 Ca -0.11 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 3h88 s HIS 107 Cb -0.14 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.53 3h88 s HIS 107 CO 0.03 -0.14 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.57 3h88 s LEU 108 N 0.04 1.90 0.04 0.89 2.96 -1.26 -1.12 118.68 122.13 3h88 s LEU 108 Ca -0.03 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3h88 s LEU 108 Cb -0.10 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 3h88 s LEU 108 CO 0.02 0.04 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.46 3h88 s SER 109 N 0.05 0.83 0.03 3.68 0.15 -0.56 -4.68 113.70 113.20 3h88 s SER 109 Ca -0.00 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.10 3h88 s SER 109 Cb -0.04 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 3h88 s SER 109 CO -0.00 -0.23 -0.08 -0.63 1.20 0.00 0.00 173.24 173.50 3h88 s ILE 110 N -1.51 0.57 -0.06 6.45 1.01 -1.26 -1.60 121.20 124.80 3h88 s ILE 110 Ca -0.09 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3h88 s ILE 110 Cb -0.09 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.82 3h88 s ILE 110 CO -0.00 -0.20 0.27 -0.55 0.00 0.00 0.00 174.94 174.46 3h88 s SER 111 N -1.12 -0.21 0.09 3.58 0.15 -1.26 -5.00 113.70 109.93 3h88 s SER 111 Ca -0.05 0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.93 3h88 s SER 111 Cb -0.07 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3h88 s SER 111 CO 0.00 -0.24 -0.10 1.51 1.20 0.00 0.00 173.24 175.61 3h88 s ASP 112 N -0.53 1.40 0.00 5.45 -4.77 -1.26 -4.43 116.67 112.53 3h88 s ASP 112 Ca -0.06 -0.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 3h88 s ASP 112 Cb -0.04 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 3h88 s ASP 112 CO 0.02 -0.24 0.00 -1.84 0.70 0.00 0.00 175.17 173.80 3h88 n GLU 113 N 0.71 2.55 -0.36 2.11 -0.00 0.05 -5.00 120.64 120.71 3h88 n GLU 113 Ca -0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.02 3h88 n GLU 113 Cb 0.57 0.00 0.18 0.00 -0.00 0.00 0.00 31.44 32.19 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3h88 h ARG 114 N 0.00 1.06 0.00 3.44 2.43 -2.04 -3.24 114.38 116.04 3h88 h ARG 114 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3h88 h ARG 114 Cb 0.00 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3h88 h ARG 114 CO 0.00 0.70 -1.38 0.72 -1.51 0.00 0.00 179.97 178.50 3h88 n HIS 115 N -4.55 0.00 -4.37 2.20 8.25 -1.26 -4.92 115.22 110.57 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 0.22 -0.22 -0.14 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.68 0.95 0.50 4.41 2.02 -1.22 -1.07 117.35 120.26 3h88 s TYR 116 Ca -0.03 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 3h88 s TYR 116 Cb 0.07 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 41.04 3h88 s TYR 116 CO 0.47 -0.01 0.24 0.00 -1.57 0.00 0.00 175.55 174.68 3h88 s ALA 117 N -0.48 4.15 0.00 3.71 0.00 -0.28 -0.77 121.76 128.10 3h88 s ALA 117 Ca 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3h88 s ALA 117 Cb -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3h88 s ALA 117 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50 3h88 n ALA 119 N -1.51 0.00 -2.74 0.00 0.00 -0.67 -0.70 120.51 114.90 3h88 n ALA 119 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 3h88 n ALA 119 Cb 0.65 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 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 0.59 -0.00 0.00 2.01 -0.63 -1.38 115.64 114.24 3h88 s THR 120 Ca 0.00 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.51 3h88 s THR 120 Cb 0.00 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 3h88 s THR 120 CO 0.00 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.18 3h88 s VAL 121 N -0.47 0.76 -0.02 3.82 1.01 -0.35 -1.50 120.40 123.66 3h88 s VAL 121 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3h88 s VAL 121 Cb -0.05 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 3h88 s VAL 121 CO 0.00 0.20 -0.11 -0.63 0.00 0.00 0.00 175.10 174.56 3h88 s ILE 122 N -0.27 0.87 -0.11 2.22 1.01 -0.28 -1.22 121.20 123.43 3h88 s ILE 122 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3h88 s ILE 122 Cb -0.04 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 3h88 s ILE 122 CO -0.00 0.26 -0.10 -0.76 0.00 0.00 0.00 174.94 174.33 3h88 s LEU 123 N -0.05 2.92 -0.03 2.97 1.43 -0.41 -1.10 118.68 124.42 3h88 s LEU 123 Ca 0.01 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3h88 s LEU 123 Cb -0.07 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3h88 s LEU 123 CO 0.00 0.25 -0.14 -0.70 0.23 0.00 0.00 176.35 175.99 3h88 s GLU 124 N -0.12 1.31 0.00 1.70 2.12 -0.23 -0.27 118.70 123.21 3h88 s GLU 124 Ca -0.00 -0.48 0.26 0.00 0.36 0.00 0.00 54.97 55.11 3h88 s GLU 124 Cb -0.13 -1.20 1.54 0.00 0.26 0.00 0.00 34.13 34.60 3h88 s GLU 124 CO 0.03 0.23 1.90 0.54 -0.54 0.00 0.00 175.26 177.42