#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 s ILE 2 N 0.00 2.01 -0.14 0.00 1.01 -1.26 -4.94 121.20 117.88 3h88 s ILE 2 Ca 0.00 -1.01 0.18 0.00 0.00 0.00 0.00 60.65 59.82 3h88 s ILE 2 Cb 0.00 -1.72 -0.25 0.00 0.01 0.00 0.00 42.46 40.49 3h88 s ILE 2 CO 0.00 0.55 0.30 0.52 0.00 0.00 0.00 174.94 176.31 3h88 n VAL 3 N 3.33 1.11 -3.50 2.92 0.31 0.12 -4.92 118.33 117.70 3h88 n VAL 3 Ca -0.19 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.28 3h88 n VAL 3 Cb 0.53 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 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 -5.18 -0.47 -0.02 2.92 0.00 -1.11 -4.96 107.32 98.51 3h88 s GLY 4 Ca -0.08 1.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 3h88 s GLY 4 CO 0.84 0.43 0.03 -2.27 0.00 0.00 0.00 173.10 172.13 3h88 s LEU 5 N -2.28 1.49 -0.01 0.66 2.96 -1.25 -1.52 118.68 118.73 3h88 s LEU 5 Ca 0.03 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3h88 s LEU 5 Cb -0.01 0.03 -0.00 0.00 0.50 0.00 0.00 46.19 46.71 3h88 s LEU 5 CO -0.07 -0.07 0.08 -0.83 -1.32 0.00 0.00 176.35 174.14 3h88 s GLY 6 N 0.53 0.04 0.06 7.98 0.00 -0.36 -3.74 107.32 111.83 3h88 s GLY 6 Ca -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.55 3h88 s GLY 6 CO -0.02 -0.13 0.12 -1.08 0.00 0.00 0.00 173.10 171.99 3h88 s THR 7 N -0.75 0.15 -0.13 0.90 -1.32 -1.26 -1.18 115.64 112.05 3h88 s THR 7 Ca -0.08 -1.21 -0.29 0.00 -1.21 0.00 0.00 61.69 58.90 3h88 s THR 7 Cb -0.05 -1.14 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 3h88 s THR 7 CO 0.00 -0.67 0.71 -0.62 -2.21 0.00 0.00 174.62 171.83 3h88 s ASP 8 N -2.48 -0.68 -0.01 8.08 2.15 -0.65 -4.53 116.67 118.55 3h88 s ASP 8 Ca 0.00 0.94 0.05 0.00 0.43 0.00 0.00 52.55 53.98 3h88 s ASP 8 Cb 0.02 0.83 -0.01 0.00 -0.30 0.00 0.00 42.92 43.46 3h88 s ASP 8 CO -0.07 -0.48 -0.17 -0.51 -0.17 0.00 0.00 175.17 173.76 3h88 s ILE 9 N -0.67 1.35 -0.03 4.11 2.07 -1.26 -1.42 121.20 125.35 3h88 s ILE 9 Ca -0.07 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.46 3h88 s ILE 9 Cb -0.02 -1.12 0.01 0.00 0.13 0.00 0.00 42.46 41.46 3h88 s ILE 9 CO 0.07 0.38 -0.06 0.00 -1.91 0.00 0.00 174.94 173.42 3h88 s ALA 10 N -0.38 0.67 -0.24 1.50 0.00 0.22 -4.99 121.76 118.53 3h88 s ALA 10 Ca 0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 3h88 s ALA 10 Cb -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3h88 s ALA 10 CO -0.01 0.07 1.02 -2.00 0.00 0.00 0.00 175.76 174.85 3h88 s GLU 11 N 0.43 4.23 0.21 0.00 2.12 -1.26 -1.00 118.70 123.44 3h88 s GLU 11 Ca -0.06 1.29 -0.07 0.00 0.36 0.00 0.00 54.97 56.49 3h88 s GLU 11 Cb -0.10 -3.65 0.17 0.00 0.26 0.00 0.00 34.13 30.81 3h88 s GLU 11 CO 0.00 -0.64 1.75 0.82 -0.54 0.00 0.00 175.26 176.65 3h88 h ILE 12 N 5.47 1.26 -0.59 -3.70 2.04 -1.43 -2.68 117.51 117.89 3h88 h ILE 12 Ca -0.19 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.76 3h88 h ILE 12 Cb 1.06 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3h88 h ILE 12 CO 0.98 0.36 0.39 -0.08 0.00 0.00 0.00 178.15 179.79 3h88 h GLU 13 N 1.08 0.76 -0.71 2.37 4.81 -1.92 -1.23 114.58 119.73 3h88 h GLU 13 Ca 0.23 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3h88 h GLU 13 Cb 0.32 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3h88 h GLU 13 CO -0.01 0.50 0.32 -0.09 -0.73 0.00 0.00 179.01 179.01 3h88 h ARG 14 N 0.78 1.04 -0.25 1.92 2.43 -1.86 0.04 114.38 118.48 3h88 h ARG 14 Ca 0.22 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3h88 h ARG 14 Cb -0.06 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3h88 h ARG 14 CO -0.05 0.83 0.11 0.28 -1.51 0.00 0.00 179.97 179.62 3h88 h VAL 15 N 1.00 1.16 -0.55 0.20 2.07 -1.34 -1.92 116.25 116.87 3h88 h VAL 15 Ca 0.24 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3h88 h VAL 15 Cb 0.15 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3h88 h VAL 15 CO -0.03 0.16 0.28 -0.33 0.02 0.00 0.00 177.57 177.67 3h88 h GLU 16 N 0.25 0.51 -0.78 1.57 5.08 -0.92 -1.03 114.58 119.26 3h88 h GLU 16 Ca 0.08 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3h88 h GLU 16 Cb 0.16 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3h88 h GLU 16 CO -0.01 0.34 0.48 0.87 -1.00 0.00 0.00 179.01 179.69 3h88 h LYS 17 N 0.53 0.88 -0.41 2.33 1.57 -0.89 -1.11 116.57 119.46 3h88 h LYS 17 Ca 0.25 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3h88 h LYS 17 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3h88 h LYS 17 CO -0.18 0.58 -0.27 0.00 -0.57 0.00 0.00 179.45 179.01 3h88 h ALA 18 N 1.35 0.75 -0.36 3.86 0.00 -0.90 -2.26 119.26 121.72 3h88 h ALA 18 Ca 0.33 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3h88 h ALA 18 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h88 h ALA 18 CO -0.14 0.66 -0.09 -0.07 0.00 0.00 0.00 179.25 179.60 3h88 h LEU 19 N 0.74 0.58 -1.39 0.00 3.38 -0.90 0.20 115.31 117.93 3h88 h LEU 19 Ca 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3h88 h LEU 19 Cb 0.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3h88 h LEU 19 CO 0.07 0.72 -0.30 0.00 0.09 0.00 0.00 178.44 179.02 3h88 h ALA 20 N 1.34 1.34 0.03 1.53 0.00 -0.92 -0.90 119.26 121.70 3h88 h ALA 20 Ca 0.10 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 3h88 h ALA 20 Cb 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3h88 h ALA 20 CO 0.03 0.38 -1.69 0.54 0.00 0.00 0.00 179.25 178.51 3h88 n ARG 21 N -3.95 0.62 -0.00 0.00 1.74 -0.87 -4.76 116.66 109.44 3h88 n ARG 21 Ca -0.02 0.43 0.01 0.00 -0.77 0.00 0.00 57.85 57.51 3h88 n ARG 21 Cb 0.37 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 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 -4.10 1.07 0.00 0.55 7.64 0.68 -5.07 113.62 114.39 3h88 n SER 22 Ca -0.36 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.09 3h88 n SER 22 Cb 0.82 1.02 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 3.45 0.32 0.23 0.00 -0.34 -2.15 105.19 108.04 3h88 n GLY 23 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.61 -0.83 1.61 4.39 -1.95 -0.91 114.58 117.50 3h88 h GLU 24 Ca 0.00 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.82 3h88 h GLU 24 Cb 0.00 -0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 28.42 3h88 h GLU 24 CO 0.00 0.40 0.40 -0.91 -1.16 0.00 0.00 179.01 177.74 3h88 h ASN 25 N 0.62 0.45 0.01 1.42 2.35 -1.86 0.23 115.58 118.79 3h88 h ASN 25 Ca 0.17 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.96 3h88 h ASN 25 Cb -0.06 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.35 3h88 h ASN 25 CO -0.04 0.17 -0.26 0.15 -1.65 0.00 0.00 177.43 175.80 3h88 h PHE 26 N 0.56 0.25 -0.74 1.19 3.57 -1.22 -3.20 116.94 117.34 3h88 h PHE 26 Ca 0.46 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.84 3h88 h PHE 26 Cb 0.68 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3h88 h PHE 26 CO -0.11 0.97 0.48 0.00 -2.23 0.00 0.00 178.31 177.42 3h88 h ALA 27 N 0.22 0.96 0.00 2.41 0.00 -1.10 -2.02 119.26 119.72 3h88 h ALA 27 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3h88 h ALA 27 Cb 1.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3h88 h ALA 27 CO 0.05 0.30 -0.19 0.00 0.00 0.00 0.00 179.25 179.41 3h88 h ARG 28 N 0.95 0.00 -0.09 0.00 3.08 -0.69 0.27 114.38 117.91 3h88 h ARG 28 Ca 0.29 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 3h88 h ARG 28 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3h88 h ARG 28 CO -0.09 0.19 -0.19 0.00 -1.07 0.00 0.00 179.97 178.82 3h88 h ARG 29 N 0.00 0.14 0.02 0.04 3.08 -1.35 -3.33 114.38 112.99 3h88 h ARG 29 Ca -0.00 -0.04 -0.37 0.00 0.07 0.00 0.00 59.98 59.64 3h88 h ARG 29 Cb 0.55 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 3h88 h ARG 29 CO 0.03 0.33 -2.29 -0.89 -1.07 0.00 0.00 179.97 176.07 3h88 n ILE 30 N -4.26 1.53 -4.14 2.04 2.08 -0.86 -4.56 119.36 111.20 3h88 n ILE 30 Ca -0.01 -0.68 -0.33 0.00 0.56 0.00 0.00 62.75 62.29 3h88 n ILE 30 Cb 0.29 -1.22 -0.07 0.00 -0.75 0.00 0.00 39.64 37.89 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 -6.34 3.84 0.70 1.39 1.43 0.03 -4.50 118.68 115.23 3h88 s LEU 31 Ca -0.24 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3h88 s LEU 31 Cb 0.08 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3h88 s LEU 31 CO 0.71 0.29 1.09 0.42 0.23 0.00 0.00 176.35 179.09 3h88 s THR 32 N -1.14 3.62 0.26 5.49 -4.23 -1.26 -4.66 115.64 113.72 3h88 s THR 32 Ca 0.21 0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 3h88 s THR 32 Cb -0.12 -3.51 0.23 0.00 1.34 0.00 0.00 72.50 70.45 3h88 s THR 32 CO 0.12 -0.69 1.75 0.44 -0.54 0.00 0.00 174.62 175.70 3h88 h ASP 33 N -0.63 0.44 -0.36 3.99 5.19 -1.99 -1.02 116.42 122.04 3h88 h ASP 33 Ca -0.45 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.03 3h88 h ASP 33 Cb 1.25 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 3h88 h ASP 33 CO 0.63 0.18 0.13 0.77 -3.12 0.00 0.00 179.24 177.83 3h88 h SER 34 N 0.56 0.56 0.96 6.45 4.64 -2.03 -2.72 113.55 121.96 3h88 h SER 34 Ca 0.45 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.55 3h88 h SER 34 Cb 0.66 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3h88 h SER 34 CO -0.38 0.54 -0.70 -0.33 -0.87 0.00 0.00 176.83 175.09 3h88 h GLU 35 N 0.61 0.00 -0.04 4.77 5.08 -1.60 -3.29 114.58 120.10 3h88 h GLU 35 Ca 0.14 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3h88 h GLU 35 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3h88 h GLU 35 CO -0.01 0.70 0.05 -0.07 -1.00 0.00 0.00 179.01 178.68 3h88 h LEU 36 N 0.00 0.00 -0.16 1.33 3.38 -0.93 -2.30 115.31 116.62 3h88 h LEU 36 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3h88 h LEU 36 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3h88 h LEU 36 CO 0.09 0.00 -0.22 -0.33 0.09 0.00 0.00 178.44 178.07 3h88 h GLU 37 N 0.00 0.44 -0.60 1.13 5.08 -1.64 0.69 114.58 119.68 3h88 h GLU 37 Ca 0.02 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3h88 h GLU 37 Cb 0.11 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3h88 h GLU 37 CO -0.00 0.84 0.16 1.96 -1.00 0.00 0.00 179.01 180.96 3h88 h GLN 38 N 0.08 0.94 -0.00 2.33 4.20 -1.68 -2.70 115.11 118.27 3h88 h GLN 38 Ca 0.02 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3h88 h GLN 38 Cb 0.78 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3h88 h GLN 38 CO 0.05 0.83 0.00 0.35 -0.67 0.00 0.00 178.83 179.39 3h88 h PHE 39 N 0.90 0.00 0.00 2.96 3.57 -1.16 -2.44 116.94 120.77 3h88 h PHE 39 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3h88 h PHE 39 Cb 0.31 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3h88 h PHE 39 CO 0.02 0.09 -0.03 0.45 -2.23 0.00 0.00 178.31 176.61 3h88 h HIS 40 N -0.08 0.00 0.00 0.41 3.86 -0.76 -0.88 115.15 117.69 3h88 h HIS 40 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h88 h HIS 40 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3h88 h HIS 40 CO -0.05 0.03 0.00 0.00 0.86 0.00 0.00 177.93 178.77 3h88 h ALA 41 N 1.97 1.00 -2.45 2.45 0.00 -1.12 -3.45 119.26 117.66 3h88 h ALA 41 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3h88 h ALA 41 Cb 0.06 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.87 3h88 h ALA 41 CO 0.00 0.00 0.41 0.45 0.00 0.00 0.00 179.25 180.11 3h88 s SER 42 N -5.14 6.52 0.00 0.00 0.15 -0.34 -4.94 113.70 109.96 3h88 s SER 42 Ca 0.07 2.02 0.20 0.00 0.70 0.00 0.00 55.95 58.94 3h88 s SER 42 Cb 0.09 -2.58 0.46 0.00 -1.71 0.00 0.00 66.02 62.28 3h88 s SER 42 CO 0.57 -0.66 1.39 0.29 1.20 0.00 0.00 173.24 176.02 3h88 n LYS 43 N -0.50 2.51 -3.07 5.44 4.01 -1.26 -4.46 118.16 120.84 3h88 n LYS 43 Ca 0.07 -2.30 -0.21 0.00 -0.51 0.00 0.00 58.31 55.35 3h88 n LYS 43 Cb 0.51 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.52 3h88 n LYS 43 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3h88 n GLN 44 N 1.34 1.86 -0.33 1.97 6.02 -1.26 -4.99 117.38 121.98 3h88 n GLN 44 Ca 0.19 -3.94 0.05 0.00 -0.01 0.00 0.00 57.00 53.29 3h88 n GLN 44 Cb 0.56 -1.90 0.20 0.00 1.02 0.00 0.00 30.24 30.13 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 2.98 0.89 -0.68 -1.09 4.20 -1.88 -1.17 115.11 118.37 3h88 h GLN 45 Ca 0.11 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.79 3h88 h GLN 45 Cb 0.80 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 3h88 h GLN 45 CO 0.62 0.59 0.43 0.78 -0.67 0.00 0.00 178.83 180.59 3h88 h GLY 46 N 0.92 0.97 0.94 3.46 0.00 -1.94 0.14 103.07 107.56 3h88 h GLY 46 Ca 0.45 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 3h88 h GLY 46 CO -0.25 0.29 -0.16 3.21 0.00 0.00 0.00 176.54 179.63 3h88 h ARG 47 N 0.86 0.67 -0.04 4.80 3.08 -1.76 -0.75 114.38 121.24 3h88 h ARG 47 Ca 0.27 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3h88 h ARG 47 Cb -0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3h88 h ARG 47 CO -0.09 0.89 -0.11 0.35 -1.07 0.00 0.00 179.97 179.94 3h88 h PHE 48 N 0.43 -0.28 -0.43 3.04 3.57 -0.98 -2.52 116.94 119.77 3h88 h PHE 48 Ca 0.07 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3h88 h PHE 48 Cb 0.69 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3h88 h PHE 48 CO 0.06 -0.17 -0.04 1.25 -2.23 0.00 0.00 178.31 177.18 3h88 h LEU 49 N -0.17 0.69 -0.64 0.59 5.85 -0.68 -2.35 115.31 118.60 3h88 h LEU 49 Ca 0.06 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3h88 h LEU 49 Cb 0.25 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3h88 h LEU 49 CO -0.14 0.79 0.39 0.00 -0.34 0.00 0.00 178.44 179.14 3h88 h ALA 50 N 1.29 0.82 -0.32 1.25 0.00 -0.95 0.22 119.26 121.57 3h88 h ALA 50 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 50 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h88 h ALA 50 CO 0.02 0.30 0.16 0.87 0.00 0.00 0.00 179.25 180.60 3h88 h LYS 51 N 0.87 0.46 -0.55 0.00 1.57 -1.34 -0.56 116.57 117.02 3h88 h LYS 51 Ca 0.23 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3h88 h LYS 51 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3h88 h LYS 51 CO -0.04 0.42 0.04 0.00 -0.57 0.00 0.00 179.45 179.30 3h88 h ARG 52 N 0.38 0.95 -0.40 3.15 2.47 -1.05 -0.67 114.38 119.20 3h88 h ARG 52 Ca 0.11 -0.28 0.03 0.00 -1.26 0.00 0.00 59.98 58.58 3h88 h ARG 52 Cb 0.11 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 3h88 h ARG 52 CO -0.01 0.94 0.20 0.35 0.56 0.00 0.00 179.97 182.00 3h88 h PHE 53 N 0.83 0.37 -0.68 3.04 3.57 -0.48 -1.07 116.94 122.53 3h88 h PHE 53 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3h88 h PHE 53 Cb 0.49 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3h88 h PHE 53 CO 0.04 0.19 0.36 0.00 -2.23 0.00 0.00 178.31 176.66 3h88 h ALA 54 N 1.22 0.87 -0.70 2.41 0.00 -0.89 -0.51 119.26 121.66 3h88 h ALA 54 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h88 h ALA 54 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3h88 h ALA 54 CO -0.13 0.40 0.27 0.00 0.00 0.00 0.00 179.25 179.79 3h88 h ALA 55 N 1.17 0.91 -0.14 0.00 0.00 -0.77 -0.01 119.26 120.42 3h88 h ALA 55 Ca 0.24 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3h88 h ALA 55 Cb 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 55 CO -0.04 0.54 -0.75 0.87 0.00 0.00 0.00 179.25 179.88 3h88 h LYS 56 N 1.00 0.75 -0.66 0.00 1.57 -1.03 -1.03 116.57 117.17 3h88 h LYS 56 Ca 0.23 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3h88 h LYS 56 Cb 0.23 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3h88 h LYS 56 CO -0.02 1.23 0.39 0.93 -0.57 0.00 0.00 179.45 181.41 3h88 h GLU 57 N 0.46 0.91 -0.83 3.15 5.08 -0.99 -1.19 114.58 121.17 3h88 h GLU 57 Ca -0.06 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3h88 h GLU 57 Cb 1.39 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3h88 h GLU 57 CO 0.15 0.66 0.42 0.00 -1.00 0.00 0.00 179.01 179.25 3h88 h ALA 58 N 1.19 1.17 -0.47 3.43 0.00 -0.85 -2.11 119.26 121.63 3h88 h ALA 58 Ca 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3h88 h ALA 58 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3h88 h ALA 58 CO -0.04 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.04 3h88 h ALA 59 N 1.28 0.60 -0.13 0.00 0.00 -0.89 -1.35 119.26 118.77 3h88 h ALA 59 Ca 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3h88 h ALA 59 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3h88 h ALA 59 CO -0.04 0.20 -0.05 0.66 0.00 0.00 0.00 179.25 180.02 3h88 h SER 60 N 0.61 0.17 0.48 0.00 4.64 -0.91 -1.44 113.55 117.09 3h88 h SER 60 Ca 0.16 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 3h88 h SER 60 Cb 0.18 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3h88 h SER 60 CO -0.01 0.26 -0.96 0.11 -0.87 0.00 0.00 176.83 175.35 3h88 h LYS 61 N 0.18 0.31 0.00 4.77 1.57 -0.83 -0.42 116.57 122.15 3h88 h LYS 61 Ca 0.04 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 3h88 h LYS 61 Cb 0.22 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3h88 h LYS 61 CO 0.01 1.07 -0.18 0.00 -0.57 0.00 0.00 179.45 179.78 3h88 h ALA 62 N 0.80 1.29 0.00 3.86 0.00 -0.26 -0.85 119.26 124.10 3h88 h ALA 62 Ca -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3h88 h ALA 62 Cb 1.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3h88 h ALA 62 CO 0.16 0.22 -0.13 -0.07 0.00 0.00 0.00 179.25 179.43 3h88 h LEU 63 N 0.00 0.00 0.00 0.00 3.38 -1.20 -3.34 115.31 114.15 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 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h88 h LEU 63 CO 0.02 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3h88 n GLY 64 N 0.95 0.78 0.05 0.83 0.00 -0.32 -4.93 105.19 102.54 3h88 n GLY 64 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.17 0.62 -4.40 2.61 -2.24 -1.08 -5.03 114.28 102.60 3h88 n THR 65 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3h88 n THR 65 Cb 0.00 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 2.51 -0.79 3.42 3.38 0.00 -0.19 -4.21 105.19 109.32 3h88 n GLY 66 Ca -0.15 -1.15 -0.45 0.00 0.00 0.00 0.00 46.02 44.27 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 5.00 -0.06 -0.61 -1.09 -1.26 -4.77 121.20 118.41 3h88 s ILE 67 Ca 0.00 -1.96 -0.30 0.00 -2.23 0.00 0.00 60.65 56.16 3h88 s ILE 67 Cb 0.00 -4.72 0.11 0.00 -1.58 0.00 0.00 42.46 36.27 3h88 s ILE 67 CO 0.00 -1.40 1.35 0.00 -1.23 0.00 0.00 174.94 173.65 3h88 s ALA 68 N 1.87 -2.55 -1.38 9.38 0.00 -1.04 -4.97 121.76 123.08 3h88 s ALA 68 Ca 0.31 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 3h88 s ALA 68 Cb -0.06 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3h88 s ALA 68 CO -0.08 -1.13 0.51 1.04 0.00 0.00 0.00 175.76 176.10 3h88 n GLN 69 N -0.78 -3.90 0.00 0.00 1.13 -1.26 -1.32 117.38 111.25 3h88 n GLN 69 Ca -0.00 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.70 3h88 n GLN 69 Cb 0.60 -5.41 0.00 0.00 0.11 0.00 0.00 30.24 25.55 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 -1.29 2.24 3.70 1.08 0.00 -1.26 -5.03 105.19 104.63 3h88 n GLY 70 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.34 4.94 0.33 1.61 1.01 -0.43 -4.53 120.40 120.98 3h88 s VAL 71 Ca 0.00 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.75 3h88 s VAL 71 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3h88 s VAL 71 CO 0.00 0.16 0.05 0.42 0.00 0.00 0.00 175.10 175.73 3h88 s THR 72 N 1.22 1.22 0.50 3.92 -4.23 -1.26 -2.49 115.64 114.51 3h88 s THR 72 Ca 0.43 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.09 3h88 s THR 72 Cb -0.19 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 71.11 3h88 s THR 72 CO 0.20 -0.01 2.11 -0.26 -0.54 0.00 0.00 174.62 176.12 3h88 h PHE 73 N 2.11 0.02 0.00 3.99 0.04 -1.88 -1.00 116.94 120.23 3h88 h PHE 73 Ca -0.41 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.24 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3h88 h PHE 73 CO 0.58 0.06 0.00 0.72 -0.60 0.00 0.00 178.31 179.07 3h88 n HIS 74 N -4.48 0.00 1.40 -0.55 8.25 -1.26 -2.21 115.22 116.37 3h88 n HIS 74 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 3h88 n HIS 74 Cb 0.13 -0.40 0.71 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.40 0.00 -4.20 0.41 8.00 -0.38 -4.74 116.55 114.25 3h88 n ASP 75 Ca 0.07 -0.38 -0.30 0.00 0.71 0.00 0.00 54.79 54.89 3h88 n ASP 75 Cb 0.21 -0.17 -0.17 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.35 2.29 -0.08 1.24 0.08 -0.94 -0.04 117.98 118.18 3h88 s PHE 76 Ca 0.31 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.55 3h88 s PHE 76 Cb 0.18 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3h88 s PHE 76 CO 0.36 -0.32 -0.18 0.99 -0.10 0.00 0.00 175.22 175.97 3h88 s THR 77 N 0.23 1.55 -0.17 0.64 2.01 -0.29 -4.77 115.64 114.82 3h88 s THR 77 Ca -0.13 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 3h88 s THR 77 Cb -0.16 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3h88 s THR 77 CO 0.06 0.45 0.10 -0.63 -0.69 0.00 0.00 174.62 173.91 3h88 s ILE 78 N 0.47 5.13 0.06 1.82 -1.09 -1.26 -1.43 121.20 124.90 3h88 s ILE 78 Ca -0.15 0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 3h88 s ILE 78 Cb -0.16 -3.30 -0.00 0.00 -1.58 0.00 0.00 42.46 37.41 3h88 s ILE 78 CO 0.06 0.49 0.03 -1.54 -1.23 0.00 0.00 174.94 172.74 3h88 n SER 79 N 3.19 0.63 -3.96 3.58 3.41 -0.20 -4.95 113.62 115.31 3h88 n SER 79 Ca -0.17 -1.33 -0.11 0.00 -0.26 0.00 0.00 58.87 57.00 3h88 n SER 79 Cb 0.53 0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.91 0.28 0.64 7.33 3.76 -1.26 -0.26 115.29 123.87 3h88 s HIS 80 Ca 0.04 -0.35 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 3h88 s HIS 80 Cb 0.00 -0.18 0.14 0.00 1.11 0.00 0.00 32.58 33.65 3h88 s HIS 80 CO 0.03 -0.11 0.88 -0.40 -0.85 0.00 0.00 174.74 174.29 3h88 n ASP 81 N 2.06 0.38 0.28 1.40 5.68 0.34 -4.89 116.55 121.80 3h88 n ASP 81 Ca -0.20 -1.51 0.16 0.00 -0.50 0.00 0.00 54.79 52.74 3h88 n ASP 81 Cb 0.56 -0.64 0.79 0.00 -1.14 0.00 0.00 41.12 40.69 3h88 n ASP 81 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3h88 h LYS 82 N 0.00 0.00 -0.02 0.11 6.56 -2.02 -0.95 116.57 120.25 3h88 h LYS 82 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 3h88 h LYS 82 Cb 0.86 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 3h88 h LYS 82 CO 0.23 0.07 -0.16 1.28 -2.06 0.00 0.00 179.45 178.81 3h88 n LEU 83 N -3.35 2.15 0.00 2.94 4.32 -1.26 -4.96 117.00 116.84 3h88 n LEU 83 Ca -0.01 -0.73 0.00 0.00 -0.02 0.00 0.00 56.01 55.25 3h88 n LEU 83 Cb 0.24 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 3h88 n LEU 83 CO 0.28 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.43 3h88 n GLY 84 N 1.33 0.67 3.73 -0.72 0.00 -0.36 -5.07 105.19 104.77 3h88 n GLY 84 Ca 0.14 0.00 -0.42 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 -0.94 4.21 0.41 1.61 2.20 -1.26 -4.71 119.74 121.26 3h88 s LYS 85 Ca 0.00 2.40 -0.23 0.00 -0.36 0.00 0.00 55.97 57.78 3h88 s LYS 85 Cb 0.00 -3.12 -0.10 0.00 -1.51 0.00 0.00 37.83 33.10 3h88 s LYS 85 CO 0.00 -0.57 0.98 -1.25 -0.36 0.00 0.00 175.35 174.15 3h88 s PRO 86 N 0.52 4.23 0.09 4.03 0.04 -1.26 -0.50 135.00 142.14 3h88 s PRO 86 Ca 0.67 1.29 0.06 0.00 0.04 0.00 0.00 61.00 63.05 3h88 s PRO 86 Cb -0.44 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 3h88 s PRO 86 CO 0.37 -0.05 -0.15 -0.51 0.04 0.00 0.00 177.00 176.70 3h88 s LEU 87 N -2.86 2.32 -0.10 -3.56 1.43 0.64 -4.56 118.68 111.99 3h88 s LEU 87 Ca 0.59 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3h88 s LEU 87 Cb -0.15 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.51 3h88 s LEU 87 CO 0.19 -0.08 -0.15 -0.22 0.23 0.00 0.00 176.35 176.32 3h88 s LEU 88 N -2.00 1.71 -0.07 1.79 2.96 -1.26 -1.03 118.68 120.78 3h88 s LEU 88 Ca 0.03 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3h88 s LEU 88 Cb -0.08 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 3h88 s LEU 88 CO 0.03 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.25 3h88 s ILE 89 N 0.88 2.44 0.04 6.68 -1.09 -0.52 -4.94 121.20 124.69 3h88 s ILE 89 Ca -0.09 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 3h88 s ILE 89 Cb -0.15 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 3h88 s ILE 89 CO 0.00 0.57 0.27 -0.76 -1.23 0.00 0.00 174.94 173.79 3h88 s LEU 90 N -0.20 4.35 0.00 2.97 1.43 -1.26 -1.14 118.68 124.83 3h88 s LEU 90 Ca -0.02 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 3h88 s LEU 90 Cb -0.13 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 3h88 s LEU 90 CO 0.03 0.20 0.19 -1.54 0.23 0.00 0.00 176.35 175.46 3h88 n SER 91 N 0.74 -0.48 0.00 2.29 3.41 0.94 -4.63 113.62 115.88 3h88 n SER 91 Ca -0.08 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 3h88 n SER 91 Cb 0.52 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 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 -0.41 1.41 0.27 5.00 0.00 -1.26 -1.45 105.19 108.75 3h88 n GLY 92 Ca 0.05 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 0.23 -0.48 1.61 5.75 -1.95 -1.62 115.11 118.65 3h88 h GLN 93 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3h88 h GLN 93 Cb 0.00 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3h88 h GLN 93 CO 0.00 0.20 0.28 0.00 -2.65 0.00 0.00 178.83 176.66 3h88 h ALA 94 N 1.84 0.61 -0.27 3.38 0.00 -1.76 -0.19 119.26 122.87 3h88 h ALA 94 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 94 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h88 h ALA 94 CO -0.01 -0.03 -0.36 0.00 0.00 0.00 0.00 179.25 178.86 3h88 h ALA 95 N 1.22 0.87 -0.19 0.00 0.00 -0.31 -0.94 119.26 119.91 3h88 h ALA 95 Ca 0.19 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3h88 h ALA 95 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 95 CO -0.09 0.63 0.08 1.49 0.00 0.00 0.00 179.25 181.36 3h88 h GLU 96 N 0.50 0.28 -0.52 0.00 4.81 -1.08 -0.98 114.58 117.59 3h88 h GLU 96 Ca 0.05 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3h88 h GLU 96 Cb 0.85 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3h88 h GLU 96 CO 0.07 0.32 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.60 3h88 h LEU 97 N 0.16 0.90 -0.41 1.64 3.38 -0.89 -1.66 115.31 118.43 3h88 h LEU 97 Ca 0.06 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3h88 h LEU 97 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3h88 h LEU 97 CO -0.01 0.99 0.21 0.00 0.09 0.00 0.00 178.44 179.72 3h88 h ALA 98 N 0.94 0.52 -0.16 1.53 0.00 -1.05 0.07 119.26 121.10 3h88 h ALA 98 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3h88 h ALA 98 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3h88 h ALA 98 CO 0.03 -0.15 -0.05 1.03 0.00 0.00 0.00 179.25 180.11 3h88 h SER 99 N 0.42 -0.17 -0.91 0.00 0.87 -0.92 0.36 113.55 113.21 3h88 h SER 99 Ca 0.18 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.88 3h88 h SER 99 Cb 0.08 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 3h88 h SER 99 CO -0.12 -0.06 0.58 -0.61 -0.53 0.00 0.00 176.83 176.09 3h88 h GLN 100 N -0.01 0.91 -0.00 2.24 4.15 -0.84 0.18 115.11 121.74 3h88 h GLN 100 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3h88 h GLN 100 Cb 0.13 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3h88 h GLN 100 CO -0.17 0.60 -0.00 1.28 -1.93 0.00 0.00 178.83 178.60 3h88 n LEU 101 N -4.52 0.03 -2.92 -2.39 4.77 -0.03 -4.93 117.00 107.00 3h88 n LEU 101 Ca 0.15 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 3h88 n LEU 101 Cb 0.28 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 3h88 n LEU 101 CO 0.31 0.00 0.11 0.00 -1.33 0.00 0.00 177.39 176.48 3h88 n GLN 102 N -1.12 -5.62 -2.12 3.23 6.02 0.62 -4.86 117.38 113.53 3h88 n GLN 102 Ca 0.19 0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 57.52 3h88 n GLN 102 Cb 0.18 -5.43 -0.03 0.00 1.02 0.00 0.00 30.24 25.97 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 -3.19 3.16 -0.02 5.09 1.01 -0.10 -4.47 120.40 121.88 3h88 s VAL 103 Ca 0.39 0.84 0.02 0.00 0.00 0.00 0.00 61.98 63.23 3h88 s VAL 103 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3h88 s VAL 103 CO 0.48 0.07 0.06 1.21 0.00 0.00 0.00 175.10 176.92 3h88 n GLU 104 N 3.89 0.84 -3.82 2.72 4.07 -0.23 -4.83 120.64 123.28 3h88 n GLU 104 Ca 0.12 -0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 57.07 3h88 n GLU 104 Cb 0.42 -1.00 -0.13 0.00 -0.06 0.00 0.00 31.44 30.66 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 3h88 s ASN 105 N -2.15 -0.11 -0.07 4.31 0.01 -0.98 -5.04 114.94 110.91 3h88 s ASN 105 Ca -0.01 0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 3h88 s ASN 105 Cb 0.02 0.22 0.02 0.00 0.41 0.00 0.00 41.25 41.91 3h88 s ASN 105 CO 0.10 -0.05 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.90 3h88 s ILE 106 N 0.17 1.08 -0.05 0.60 1.01 -1.26 -1.40 121.20 121.35 3h88 s ILE 106 Ca -0.01 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.27 3h88 s ILE 106 Cb -0.02 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 3h88 s ILE 106 CO -0.00 0.35 -0.23 -1.00 0.00 0.00 0.00 174.94 174.06 3h88 s HIS 107 N 0.82 2.22 -0.01 3.97 3.76 -0.14 -4.83 115.29 121.08 3h88 s HIS 107 Ca -0.12 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 3h88 s HIS 107 Cb -0.15 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.07 3h88 s HIS 107 CO 0.02 -0.20 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.51 3h88 s LEU 108 N -0.11 1.83 0.04 0.89 2.96 -1.26 -0.66 118.68 122.37 3h88 s LEU 108 Ca -0.04 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3h88 s LEU 108 Cb -0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 3h88 s LEU 108 CO 0.03 0.01 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.44 3h88 s SER 109 N 0.15 0.87 0.03 3.68 0.15 -0.68 -4.65 113.70 113.25 3h88 s SER 109 Ca -0.01 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.09 3h88 s SER 109 Cb -0.04 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.29 3h88 s SER 109 CO -0.00 -0.22 -0.09 -0.63 1.20 0.00 0.00 173.24 173.50 3h88 s ILE 110 N -1.49 0.67 0.03 6.45 1.01 -1.26 -1.68 121.20 124.93 3h88 s ILE 110 Ca -0.09 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 3h88 s ILE 110 Cb -0.09 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.74 3h88 s ILE 110 CO 0.00 -0.15 0.29 -0.55 0.00 0.00 0.00 174.94 174.53 3h88 s SER 111 N -1.10 -0.12 -0.01 3.58 0.15 -1.26 -5.00 113.70 109.94 3h88 s SER 111 Ca -0.04 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.36 3h88 s SER 111 Cb -0.07 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 3h88 s SER 111 CO 0.01 -0.57 0.23 1.51 1.20 0.00 0.00 173.24 175.62 3h88 s ASP 112 N -1.88 -0.10 0.00 5.45 -4.77 -1.26 -4.42 116.67 109.69 3h88 s ASP 112 Ca -0.07 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 3h88 s ASP 112 Cb -0.02 0.28 0.00 0.00 -1.09 0.00 0.00 42.92 42.09 3h88 s ASP 112 CO -0.01 -0.38 0.00 1.21 0.70 0.00 0.00 175.17 176.68 3h88 n GLU 113 N 1.49 3.72 -0.31 2.11 4.07 -0.07 -4.99 120.64 126.65 3h88 n GLU 113 Ca -0.21 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.87 3h88 n GLU 113 Cb 0.56 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.04 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 3h88 h ARG 114 N 0.00 1.05 0.00 5.31 9.65 -2.04 -3.32 114.38 125.04 3h88 h ARG 114 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3h88 h ARG 114 Cb 0.00 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.34 3h88 h ARG 114 CO 0.00 0.70 -1.11 0.72 2.80 0.00 0.00 179.97 183.08 3h88 n HIS 115 N -4.54 0.00 -4.28 2.20 8.25 -1.26 -4.91 115.22 110.68 3h88 n HIS 115 Ca 0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.39 3h88 n HIS 115 Cb 0.07 -0.15 -0.14 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.48 0.87 0.45 4.41 2.02 -1.25 -1.02 117.35 120.35 3h88 s TYR 116 Ca -0.01 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3h88 s TYR 116 Cb 0.08 -0.53 0.03 0.00 -0.40 0.00 0.00 41.96 41.13 3h88 s TYR 116 CO 0.47 -0.01 0.25 0.00 -1.57 0.00 0.00 175.55 174.69 3h88 n ALA 117 N 2.30 0.62 -3.61 3.71 0.00 -0.17 -0.90 120.51 122.46 3h88 n ALA 117 Ca -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 53.44 51.35 3h88 n ALA 117 Cb 0.56 0.85 -0.03 0.00 0.00 0.00 0.00 19.45 20.83 3h88 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h88 s ALA 119 N -2.69 -2.09 0.03 0.00 0.00 -0.51 -0.61 121.76 115.89 3h88 s ALA 119 Ca 0.19 1.73 0.03 0.00 0.00 0.00 0.00 51.96 53.91 3h88 s ALA 119 Cb -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3h88 s ALA 119 CO 0.12 -0.44 -0.09 0.99 0.00 0.00 0.00 175.76 176.34 3h88 s THR 120 N -1.77 0.66 -0.03 0.00 2.01 -0.68 -1.64 115.64 114.19 3h88 s THR 120 Ca 0.08 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.33 3h88 s THR 120 Cb -0.01 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.87 3h88 s THR 120 CO -0.05 -0.11 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.98 3h88 s VAL 121 N -0.83 0.86 -0.06 3.82 1.01 -0.33 -1.68 120.40 123.20 3h88 s VAL 121 Ca -0.03 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3h88 s VAL 121 Cb -0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3h88 s VAL 121 CO 0.00 0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.55 3h88 s ILE 122 N 0.25 1.59 -0.12 2.22 1.01 0.16 -1.22 121.20 125.09 3h88 s ILE 122 Ca -0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3h88 s ILE 122 Cb -0.10 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3h88 s ILE 122 CO 0.01 0.45 -0.04 -0.76 0.00 0.00 0.00 174.94 174.61 3h88 s LEU 123 N 0.13 3.30 0.06 2.97 1.43 -0.57 -0.97 118.68 125.02 3h88 s LEU 123 Ca -0.07 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3h88 s LEU 123 Cb -0.13 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3h88 s LEU 123 CO 0.04 0.25 -0.13 -1.83 0.23 0.00 0.00 176.35 174.90 3h88 s GLU 124 N -0.11 0.81 0.00 1.70 -1.05 -0.50 0.14 118.70 119.69 3h88 s GLU 124 Ca 0.03 -0.87 0.17 0.00 -0.15 0.00 0.00 54.97 54.15 3h88 s GLU 124 Cb -0.13 -0.80 0.13 0.00 -0.44 0.00 0.00 34.13 32.90 3h88 s GLU 124 CO 0.02 0.18 1.04 2.89 0.95 0.00 0.00 175.26 180.35