#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 -0.02 0.00 1.01 -1.26 -4.92 121.20 118.01 3h88 s ILE 2 Ca 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.78 3h88 s ILE 2 Cb 0.00 -1.76 -0.23 0.00 0.01 0.00 0.00 42.46 40.48 3h88 s ILE 2 CO 0.00 0.54 0.74 0.58 0.00 0.00 0.00 174.94 176.80 3h88 h VAL 3 N 5.78 0.96 -2.04 2.92 2.07 -0.63 -3.47 116.25 121.85 3h88 h VAL 3 Ca -0.26 -2.78 0.16 0.00 0.82 0.00 0.00 66.70 64.64 3h88 h VAL 3 Cb 1.21 2.50 -0.16 0.00 -1.52 0.00 0.00 31.29 33.32 3h88 h VAL 3 CO 0.51 0.59 0.59 -0.83 0.02 0.00 0.00 177.57 178.45 3h88 s GLY 4 N -5.08 -0.40 -0.01 2.17 0.00 -1.06 -4.97 107.32 97.98 3h88 s GLY 4 Ca -0.05 1.13 0.01 0.00 0.00 0.00 0.00 44.72 45.81 3h88 s GLY 4 CO 0.82 0.37 -0.05 -2.27 0.00 0.00 0.00 173.10 171.97 3h88 s LEU 5 N -2.43 1.95 -0.01 0.66 2.96 -1.26 -1.37 118.68 119.19 3h88 s LEU 5 Ca 0.07 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3h88 s LEU 5 Cb -0.01 -0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.42 3h88 s LEU 5 CO -0.07 0.05 0.12 -0.83 -1.32 0.00 0.00 176.35 174.30 3h88 s GLY 6 N -0.04 0.04 0.04 7.98 0.00 -0.20 -3.64 107.32 111.50 3h88 s GLY 6 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 3h88 s GLY 6 CO -0.00 -0.20 -0.03 -1.08 0.00 0.00 0.00 173.10 171.79 3h88 s THR 7 N -1.10 0.18 -0.11 0.90 -1.32 -1.26 -0.98 115.64 111.95 3h88 s THR 7 Ca -0.12 -1.52 -0.29 0.00 -1.21 0.00 0.00 61.69 58.55 3h88 s THR 7 Cb -0.07 -1.12 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 3h88 s THR 7 CO 0.01 -0.84 0.68 -0.62 -2.21 0.00 0.00 174.62 171.64 3h88 s ASP 8 N -2.46 -0.67 -0.03 8.08 2.15 -0.62 -4.44 116.67 118.68 3h88 s ASP 8 Ca -0.00 0.91 0.05 0.00 0.43 0.00 0.00 52.55 53.93 3h88 s ASP 8 Cb 0.02 0.80 -0.01 0.00 -0.30 0.00 0.00 42.92 43.43 3h88 s ASP 8 CO -0.07 -0.50 -0.16 -0.51 -0.17 0.00 0.00 175.17 173.75 3h88 s ILE 9 N -0.74 1.33 -0.03 4.11 2.07 -1.26 -1.48 121.20 125.21 3h88 s ILE 9 Ca -0.08 -0.69 0.03 0.00 -1.41 0.00 0.00 60.65 58.50 3h88 s ILE 9 Cb -0.02 -1.13 0.00 0.00 0.13 0.00 0.00 42.46 41.44 3h88 s ILE 9 CO 0.07 0.38 -0.10 0.00 -1.91 0.00 0.00 174.94 173.38 3h88 s ALA 10 N -0.15 0.96 -0.27 1.50 0.00 0.89 -4.99 121.76 119.69 3h88 s ALA 10 Ca 0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 3h88 s ALA 10 Cb -0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3h88 s ALA 10 CO 0.01 0.17 0.82 -2.00 0.00 0.00 0.00 175.76 174.75 3h88 s GLU 11 N 0.11 4.09 0.26 0.00 2.12 -1.26 -0.95 118.70 123.06 3h88 s GLU 11 Ca -0.02 0.79 -0.02 0.00 0.36 0.00 0.00 54.97 56.08 3h88 s GLU 11 Cb -0.08 -3.68 0.33 0.00 0.26 0.00 0.00 34.13 30.95 3h88 s GLU 11 CO 0.01 -0.59 1.76 0.82 -0.54 0.00 0.00 175.26 176.71 3h88 h ILE 12 N 5.51 1.24 -0.54 -3.70 2.04 -1.41 -2.80 117.51 117.85 3h88 h ILE 12 Ca -0.24 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 3h88 h ILE 12 Cb 1.09 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3h88 h ILE 12 CO 0.88 0.35 0.21 -0.08 0.00 0.00 0.00 178.15 179.51 3h88 h GLU 13 N 0.76 0.78 -0.67 2.37 4.81 -1.92 -1.34 114.58 119.37 3h88 h GLU 13 Ca 0.15 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3h88 h GLU 13 Cb 0.44 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3h88 h GLU 13 CO 0.02 0.65 0.22 0.00 -0.73 0.00 0.00 179.01 179.16 3h88 h ARG 14 N 0.77 1.02 -0.22 1.92 3.08 -1.89 -0.64 114.38 118.43 3h88 h ARG 14 Ca 0.18 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3h88 h ARG 14 Cb 0.16 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3h88 h ARG 14 CO -0.02 0.86 0.02 0.28 -1.07 0.00 0.00 179.97 180.04 3h88 h VAL 15 N 0.98 1.24 -0.72 2.04 2.07 -1.40 -1.88 116.25 118.58 3h88 h VAL 15 Ca 0.22 -0.82 0.11 0.00 0.82 0.00 0.00 66.70 67.02 3h88 h VAL 15 Cb 0.26 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3h88 h VAL 15 CO -0.01 0.26 0.34 -0.33 0.02 0.00 0.00 177.57 177.85 3h88 h GLU 16 N 0.16 0.54 -0.57 1.57 5.08 -1.00 -1.09 114.58 119.26 3h88 h GLU 16 Ca 0.06 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3h88 h GLU 16 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3h88 h GLU 16 CO 0.01 0.36 0.06 0.87 -1.00 0.00 0.00 179.01 179.30 3h88 h LYS 17 N 0.56 0.94 -0.56 2.33 1.57 -1.01 -1.27 116.57 119.13 3h88 h LYS 17 Ca 0.37 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3h88 h LYS 17 Cb 0.44 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3h88 h LYS 17 CO -0.31 0.90 0.07 0.00 -0.57 0.00 0.00 179.45 179.54 3h88 h ALA 18 N 1.17 0.75 -0.64 3.86 0.00 -0.86 -2.11 119.26 121.43 3h88 h ALA 18 Ca 0.17 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3h88 h ALA 18 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3h88 h ALA 18 CO 0.02 0.52 0.08 -0.07 0.00 0.00 0.00 179.25 179.79 3h88 h LEU 19 N 0.84 1.03 -1.93 0.00 3.38 -0.90 0.12 115.31 117.85 3h88 h LEU 19 Ca 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3h88 h LEU 19 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3h88 h LEU 19 CO 0.02 1.03 -0.12 0.00 0.09 0.00 0.00 178.44 179.46 3h88 h ALA 20 N 1.08 1.40 0.02 1.53 0.00 -0.90 0.00 119.26 122.39 3h88 h ALA 20 Ca 0.19 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 3h88 h ALA 20 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3h88 h ALA 20 CO 0.02 0.15 -1.73 0.54 0.00 0.00 0.00 179.25 178.22 3h88 n ARG 21 N -3.81 0.60 0.00 0.00 1.74 -0.82 -4.76 116.66 109.61 3h88 n ARG 21 Ca -0.02 0.44 0.02 0.00 -0.77 0.00 0.00 57.85 57.52 3h88 n ARG 21 Cb 0.22 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 -4.19 0.51 0.00 0.55 7.64 0.40 -5.06 113.62 113.48 3h88 n SER 22 Ca -0.38 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 58.74 3h88 n SER 22 Cb 0.80 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 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 0.93 3.22 0.25 0.23 0.00 -0.02 -1.72 105.19 108.08 3h88 n GLY 23 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3h88 n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h88 h GLU 24 N 0.00 0.28 -0.70 1.61 4.57 -1.96 -1.09 114.58 117.29 3h88 h GLU 24 Ca 0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3h88 h GLU 24 Cb 0.00 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3h88 h GLU 24 CO 0.00 0.36 0.42 -0.91 -1.18 0.00 0.00 179.01 177.70 3h88 h ASN 25 N 0.27 0.84 -0.01 1.04 2.35 -1.76 0.35 115.58 118.66 3h88 h ASN 25 Ca 0.06 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3h88 h ASN 25 Cb 0.29 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3h88 h ASN 25 CO 0.01 0.64 -0.03 0.15 -1.65 0.00 0.00 177.43 176.56 3h88 h PHE 26 N 0.97 0.04 -1.00 1.19 3.57 -1.32 -3.28 116.94 117.11 3h88 h PHE 26 Ca 0.25 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3h88 h PHE 26 Cb -0.04 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3h88 h PHE 26 CO 0.00 0.66 0.66 0.00 -2.23 0.00 0.00 178.31 177.40 3h88 h ALA 27 N 0.38 1.30 0.00 2.41 0.00 -0.97 -1.81 119.26 120.57 3h88 h ALA 27 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 27 Cb 0.66 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h88 h ALA 27 CO 0.01 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3h88 h ARG 28 N 1.32 0.00 0.00 0.00 3.08 -1.05 0.60 114.38 118.33 3h88 h ARG 28 Ca 0.38 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.35 3h88 h ARG 28 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3h88 h ARG 28 CO -0.10 0.06 -0.41 0.00 -1.07 0.00 0.00 179.97 178.45 3h88 h ARG 29 N 0.00 0.00 0.00 0.04 3.08 -1.38 -3.34 114.38 112.78 3h88 h ARG 29 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3h88 h ARG 29 Cb 0.30 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3h88 h ARG 29 CO 0.01 0.41 -2.33 -0.89 -1.07 0.00 0.00 179.97 176.10 3h88 n ILE 30 N -3.90 1.34 -4.14 2.04 5.41 -0.23 -4.61 119.36 115.27 3h88 n ILE 30 Ca -0.01 -0.66 -0.32 0.00 1.00 0.00 0.00 62.75 62.76 3h88 n ILE 30 Cb 0.46 -0.94 -0.07 0.00 -0.71 0.00 0.00 39.64 38.38 3h88 n ILE 30 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3h88 s LEU 31 N -5.91 3.75 0.75 1.39 1.43 0.03 -4.43 118.68 115.69 3h88 s LEU 31 Ca -0.21 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3h88 s LEU 31 Cb 0.07 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.08 3h88 s LEU 31 CO 0.66 0.25 1.08 0.42 0.23 0.00 0.00 176.35 178.99 3h88 s THR 32 N -1.22 3.48 0.44 5.49 -4.23 -1.26 -4.64 115.64 113.69 3h88 s THR 32 Ca 0.24 0.48 0.13 0.00 -1.18 0.00 0.00 61.69 61.35 3h88 s THR 32 Cb -0.12 -3.27 0.31 0.00 1.34 0.00 0.00 72.50 70.76 3h88 s THR 32 CO 0.15 -0.63 2.00 0.44 -0.54 0.00 0.00 174.62 176.05 3h88 h ASP 33 N -0.88 0.36 -0.41 3.99 5.19 -1.98 -1.03 116.42 121.66 3h88 h ASP 33 Ca -0.46 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.80 3h88 h ASP 33 Cb 1.25 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 3h88 h ASP 33 CO 0.59 0.23 -0.35 -1.28 -3.12 0.00 0.00 179.24 175.32 3h88 h SER 34 N 0.41 1.02 1.15 6.45 0.87 -2.03 -2.98 113.55 118.44 3h88 h SER 34 Ca 0.24 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 3h88 h SER 34 Cb 0.41 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3h88 h SER 34 CO -0.06 1.25 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.95 3h88 h GLU 35 N 0.79 0.00 -0.38 2.24 5.08 -1.59 -3.14 114.58 117.58 3h88 h GLU 35 Ca 0.07 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 3h88 h GLU 35 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3h88 h GLU 35 CO 0.09 0.21 0.31 -0.07 -1.00 0.00 0.00 179.01 178.54 3h88 h LEU 36 N 0.00 0.00 -0.19 1.33 3.38 -1.09 -1.97 115.31 116.77 3h88 h LEU 36 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h88 h LEU 36 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3h88 h LEU 36 CO 0.03 0.00 0.03 -0.33 0.09 0.00 0.00 178.44 178.26 3h88 h GLU 37 N 0.00 0.31 -0.55 1.13 5.08 -1.64 0.10 114.58 119.01 3h88 h GLU 37 Ca 0.18 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3h88 h GLU 37 Cb 0.79 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3h88 h GLU 37 CO -0.00 0.47 0.01 1.96 -1.00 0.00 0.00 179.01 180.45 3h88 h GLN 38 N 0.10 0.94 -0.16 2.33 4.20 -1.67 -2.66 115.11 118.19 3h88 h GLN 38 Ca 0.06 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.51 3h88 h GLN 38 Cb 0.31 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3h88 h GLN 38 CO 0.00 0.92 0.05 0.35 -0.67 0.00 0.00 178.83 179.49 3h88 h PHE 39 N 0.87 0.10 -0.35 2.96 3.57 -1.15 -2.68 116.94 120.26 3h88 h PHE 39 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3h88 h PHE 39 Cb 0.50 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3h88 h PHE 39 CO 0.03 0.05 0.12 0.45 -2.23 0.00 0.00 178.31 176.73 3h88 h HIS 40 N 0.13 0.49 0.00 0.41 3.86 -0.66 -1.51 115.15 117.87 3h88 h HIS 40 Ca 0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3h88 h HIS 40 Cb 0.04 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3h88 h HIS 40 CO -0.11 0.40 0.00 0.00 0.86 0.00 0.00 177.93 179.08 3h88 h ALA 41 N 1.65 1.00 -2.20 2.45 0.00 -1.23 -3.46 119.26 117.47 3h88 h ALA 41 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.57 3h88 h ALA 41 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h88 h ALA 41 CO -0.01 0.00 0.36 0.45 0.00 0.00 0.00 179.25 180.05 3h88 s SER 42 N -4.64 6.62 0.00 0.00 0.15 -0.57 -4.94 113.70 110.32 3h88 s SER 42 Ca 0.05 1.82 0.20 0.00 0.70 0.00 0.00 55.95 58.72 3h88 s SER 42 Cb 0.10 -2.55 0.52 0.00 -1.71 0.00 0.00 66.02 62.37 3h88 s SER 42 CO 0.47 -0.59 1.43 0.29 1.20 0.00 0.00 173.24 176.04 3h88 n LYS 43 N -0.82 2.64 -3.19 5.44 5.02 -1.26 -4.47 118.16 121.53 3h88 n LYS 43 Ca 0.08 -2.42 -0.21 0.00 -2.02 0.00 0.00 58.31 53.74 3h88 n LYS 43 Cb 0.53 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.37 0.91 0.05 1.97 6.02 -1.26 -4.99 117.38 121.45 3h88 n GLN 44 Ca 0.20 -3.35 -0.04 0.00 -0.01 0.00 0.00 57.00 53.80 3h88 n GLN 44 Cb 0.57 -1.49 0.18 0.00 1.02 0.00 0.00 30.24 30.52 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3h88 h GLN 45 N 3.50 0.39 -0.60 -1.09 4.20 -1.88 -0.98 115.11 118.64 3h88 h GLN 45 Ca 0.09 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3h88 h GLN 45 Cb 0.91 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 3h88 h GLN 45 CO 0.49 0.71 0.36 0.78 -0.67 0.00 0.00 178.83 180.50 3h88 h GLY 46 N 1.12 0.87 0.92 3.46 0.00 -1.94 -0.12 103.07 107.39 3h88 h GLY 46 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3h88 h GLY 46 CO 0.07 0.35 -0.03 3.21 0.00 0.00 0.00 176.54 180.14 3h88 h ARG 47 N 0.81 0.63 -0.23 4.80 3.08 -1.69 -0.38 114.38 121.40 3h88 h ARG 47 Ca 0.21 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3h88 h ARG 47 Cb -0.01 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 3h88 h ARG 47 CO -0.04 0.77 -0.16 0.35 -1.07 0.00 0.00 179.97 179.82 3h88 h PHE 48 N 0.43 -0.40 -0.54 3.04 3.57 -1.09 -2.11 116.94 119.84 3h88 h PHE 48 Ca 0.10 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3h88 h PHE 48 Cb 0.50 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3h88 h PHE 48 CO 0.04 -0.23 -0.11 1.25 -2.23 0.00 0.00 178.31 177.03 3h88 h LEU 49 N -0.15 1.04 -0.76 0.59 5.85 -0.91 -2.37 115.31 118.60 3h88 h LEU 49 Ca 0.13 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3h88 h LEU 49 Cb 0.34 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3h88 h LEU 49 CO -0.32 1.14 0.49 0.00 -0.34 0.00 0.00 178.44 179.42 3h88 h ALA 50 N 0.94 0.99 -0.75 1.25 0.00 -0.92 0.59 119.26 121.36 3h88 h ALA 50 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 50 Cb 0.68 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3h88 h ALA 50 CO 0.05 0.32 0.41 0.87 0.00 0.00 0.00 179.25 180.89 3h88 h LYS 51 N 0.97 1.05 -0.48 0.00 1.57 -1.21 -1.29 116.57 117.19 3h88 h LYS 51 Ca 0.30 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3h88 h LYS 51 Cb -0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3h88 h LYS 51 CO -0.10 0.78 -0.09 0.00 -0.57 0.00 0.00 179.45 179.48 3h88 h ARG 52 N 1.04 0.90 -0.41 3.15 2.47 -0.94 -1.56 114.38 119.03 3h88 h ARG 52 Ca 0.26 -0.33 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3h88 h ARG 52 Cb 0.04 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 3h88 h ARG 52 CO -0.04 0.98 0.24 0.35 0.56 0.00 0.00 179.97 182.06 3h88 h PHE 53 N 0.75 0.45 -0.22 3.04 3.57 -0.63 -0.54 116.94 123.37 3h88 h PHE 53 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3h88 h PHE 53 Cb 0.63 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3h88 h PHE 53 CO 0.05 0.26 0.10 0.00 -2.23 0.00 0.00 178.31 176.49 3h88 h ALA 54 N 1.18 0.28 -0.71 2.41 0.00 -1.10 -1.01 119.26 120.33 3h88 h ALA 54 Ca 0.16 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3h88 h ALA 54 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3h88 h ALA 54 CO -0.08 -0.15 0.42 0.00 0.00 0.00 0.00 179.25 179.43 3h88 h ALA 55 N 0.96 0.94 0.01 0.00 0.00 -1.04 0.20 119.26 120.34 3h88 h ALA 55 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 55 Cb 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h88 h ALA 55 CO -0.01 0.13 -0.99 0.87 0.00 0.00 0.00 179.25 179.26 3h88 h LYS 56 N 0.78 0.47 -0.28 0.00 1.57 -0.93 -0.68 116.57 117.50 3h88 h LYS 56 Ca 0.31 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3h88 h LYS 56 Cb 0.14 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3h88 h LYS 56 CO -0.16 1.16 0.16 0.93 -0.57 0.00 0.00 179.45 180.97 3h88 h GLU 57 N 0.26 0.39 -0.74 3.15 5.08 -1.06 -0.78 114.58 120.88 3h88 h GLU 57 Ca -0.10 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3h88 h GLU 57 Cb 1.63 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.73 3h88 h GLU 57 CO 0.18 0.33 0.39 0.00 -1.00 0.00 0.00 179.01 178.90 3h88 h ALA 58 N 1.04 1.03 -0.64 3.43 0.00 -0.89 -1.67 119.26 121.56 3h88 h ALA 58 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h88 h ALA 58 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h88 h ALA 58 CO -0.02 -0.01 0.34 0.00 0.00 0.00 0.00 179.25 179.57 3h88 h ALA 59 N 1.43 0.82 -0.04 0.00 0.00 -0.74 -1.13 119.26 119.60 3h88 h ALA 59 Ca 0.36 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3h88 h ALA 59 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h88 h ALA 59 CO -0.26 0.34 -0.21 0.66 0.00 0.00 0.00 179.25 179.79 3h88 h SER 60 N 0.87 0.06 0.34 0.00 4.64 -0.70 -1.39 113.55 117.37 3h88 h SER 60 Ca 0.22 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.27 3h88 h SER 60 Cb 0.06 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3h88 h SER 60 CO -0.03 0.28 -1.10 0.11 -0.87 0.00 0.00 176.83 175.22 3h88 h LYS 61 N 0.06 0.45 0.00 4.77 1.57 -0.96 0.06 116.57 122.52 3h88 h LYS 61 Ca 0.01 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 3h88 h LYS 61 Cb 0.41 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3h88 h LYS 61 CO 0.03 1.21 -0.11 0.00 -0.57 0.00 0.00 179.45 180.01 3h88 h ALA 62 N 0.57 1.68 0.00 3.86 0.00 -0.63 -1.50 119.26 123.24 3h88 h ALA 62 Ca -0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3h88 h ALA 62 Cb 1.76 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3h88 h ALA 62 CO 0.19 0.14 -0.50 1.25 0.00 0.00 0.00 179.25 180.33 3h88 h LEU 63 N 0.00 0.00 0.00 0.00 5.85 -1.13 -3.35 115.31 116.67 3h88 h LEU 63 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h88 h LEU 63 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3h88 h LEU 63 CO 0.01 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.23 3h88 n GLY 64 N 0.89 0.85 0.02 3.75 0.00 -0.57 -4.94 105.19 105.19 3h88 n GLY 64 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -2.02 0.26 -4.53 2.61 -2.24 -1.10 -5.04 114.28 102.21 3h88 n THR 65 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3h88 n THR 65 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.36 -0.69 3.40 3.38 0.00 -0.02 -4.18 105.19 109.44 3h88 n GLY 66 Ca -0.07 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 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 5.12 0.00 -0.61 -1.09 -1.26 -4.78 121.20 118.58 3h88 s ILE 67 Ca 0.00 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.42 3h88 s ILE 67 Cb 0.00 -4.65 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 3h88 s ILE 67 CO 0.00 -1.31 0.00 0.00 -1.23 0.00 0.00 174.94 172.40 3h88 n ALA 68 N 5.41 0.00 -3.17 9.38 0.00 -1.01 -4.96 120.51 126.15 3h88 n ALA 68 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 3h88 n ALA 68 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.12 -4.92 -0.67 0.00 1.13 -1.26 -1.10 117.38 110.44 3h88 n GLN 69 Ca 0.00 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 55.87 3h88 n GLN 69 Cb 0.00 -5.66 0.00 0.00 0.11 0.00 0.00 30.24 24.69 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 -1.51 1.27 3.68 1.08 0.00 -1.26 -5.01 105.19 103.43 3h88 n GLY 70 Ca -0.08 0.00 -0.41 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 -3.27 4.90 0.37 1.61 1.01 -0.26 -4.57 120.40 120.20 3h88 s VAL 71 Ca 0.00 1.62 0.07 0.00 0.00 0.00 0.00 61.98 63.68 3h88 s VAL 71 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3h88 s VAL 71 CO 0.00 0.06 -0.02 0.42 0.00 0.00 0.00 175.10 175.56 3h88 s THR 72 N 1.92 1.95 0.49 3.92 -4.23 -1.26 -2.40 115.64 116.03 3h88 s THR 72 Ca 0.39 -2.07 0.16 0.00 -1.18 0.00 0.00 61.69 58.98 3h88 s THR 72 Cb -0.17 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.16 3h88 s THR 72 CO 0.14 -0.09 2.08 -0.26 -0.54 0.00 0.00 174.62 175.94 3h88 h PHE 73 N 1.93 0.17 0.00 3.99 -1.00 -1.88 -1.48 116.94 118.67 3h88 h PHE 73 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.24 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.75 3h88 h PHE 73 CO 0.72 0.09 0.00 0.72 -1.61 0.00 0.00 178.31 178.24 3h88 n HIS 74 N -4.48 0.00 1.67 -0.55 8.25 -1.26 -2.51 115.22 116.34 3h88 n HIS 74 Ca 0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.63 3h88 n HIS 74 Cb 0.23 -0.25 0.65 0.00 1.12 0.00 0.00 29.99 31.74 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 -1.25 0.90 -4.14 0.41 8.00 -0.56 -4.76 116.55 115.16 3h88 n ASP 75 Ca 0.10 -1.35 -0.28 0.00 0.71 0.00 0.00 54.79 53.96 3h88 n ASP 75 Cb 0.14 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.97 2.01 -0.07 1.24 0.40 -1.04 -1.02 117.98 117.52 3h88 s PHE 76 Ca 0.40 -0.75 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3h88 s PHE 76 Cb 0.20 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.35 3h88 s PHE 76 CO 0.33 -0.31 -0.19 0.99 0.70 0.00 0.00 175.22 176.73 3h88 s THR 77 N 0.39 1.64 -0.20 0.64 2.01 -0.04 -4.82 115.64 115.26 3h88 s THR 77 Ca -0.14 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 60.97 3h88 s THR 77 Cb -0.16 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3h88 s THR 77 CO 0.06 0.47 0.08 -0.63 -0.69 0.00 0.00 174.62 173.91 3h88 s ILE 78 N 0.22 4.86 0.08 1.82 1.09 -1.26 -1.53 121.20 126.48 3h88 s ILE 78 Ca -0.10 -0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 3h88 s ILE 78 Cb -0.15 -3.21 -0.00 0.00 -1.06 0.00 0.00 42.46 38.04 3h88 s ILE 78 CO 0.05 0.43 0.03 -1.54 -0.10 0.00 0.00 174.94 173.80 3h88 n SER 79 N 3.81 1.11 -3.98 3.58 3.41 -0.29 -4.96 113.62 116.30 3h88 n SER 79 Ca -0.16 -1.44 -0.10 0.00 -0.26 0.00 0.00 58.87 56.91 3h88 n SER 79 Cb 0.52 0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.80 0.29 0.84 7.33 3.76 -1.26 -0.40 115.29 124.05 3h88 s HIS 80 Ca 0.04 -0.50 -0.10 0.00 -0.15 0.00 0.00 55.06 54.34 3h88 s HIS 80 Cb 0.00 -0.20 0.15 0.00 1.11 0.00 0.00 32.58 33.64 3h88 s HIS 80 CO 0.03 -0.17 1.18 0.16 -0.85 0.00 0.00 174.74 175.08 3h88 s ASP 81 N -1.40 3.82 0.61 1.40 1.47 -0.36 -4.93 116.67 117.28 3h88 s ASP 81 Ca -0.15 0.17 0.32 0.00 1.18 0.00 0.00 52.55 54.07 3h88 s ASP 81 Cb -0.10 -0.43 1.81 0.00 -0.34 0.00 0.00 42.92 43.86 3h88 s ASP 81 CO -0.01 -2.26 2.16 0.50 0.68 0.00 0.00 175.17 176.24 3h88 h LYS 82 N -1.14 0.00 -0.01 2.11 3.64 -2.02 -1.40 116.57 117.76 3h88 h LYS 82 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3h88 h LYS 82 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3h88 h LYS 82 CO 0.44 0.00 -0.30 1.28 -2.27 0.00 0.00 179.45 178.60 3h88 n LEU 83 N -3.61 1.17 0.00 5.20 4.77 -1.26 -4.95 117.00 118.32 3h88 n LEU 83 Ca -0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3h88 n LEU 83 Cb 0.24 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3h88 n LEU 83 CO 0.25 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3h88 n GLY 84 N 1.36 0.63 3.72 -0.72 0.00 -0.53 -5.08 105.19 104.57 3h88 n GLY 84 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.97 4.26 0.40 1.61 2.20 -1.26 -4.74 119.74 121.25 3h88 s LYS 85 Ca 0.00 2.24 -0.24 0.00 -0.36 0.00 0.00 55.97 57.62 3h88 s LYS 85 Cb 0.00 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 3h88 s LYS 85 CO 0.00 -0.52 1.04 -1.25 -0.36 0.00 0.00 175.35 174.27 3h88 s PRO 86 N 0.92 4.15 0.02 4.03 0.04 -1.26 -1.22 135.00 141.68 3h88 s PRO 86 Ca 0.67 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.25 3h88 s PRO 86 Cb -0.41 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 3h88 s PRO 86 CO 0.32 -0.15 -0.17 -0.51 0.04 0.00 0.00 177.00 176.54 3h88 s LEU 87 N -2.70 2.12 -0.10 -3.56 1.43 0.46 -4.62 118.68 111.70 3h88 s LEU 87 Ca 0.58 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 3h88 s LEU 87 Cb -0.21 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3h88 s LEU 87 CO 0.27 0.13 -0.23 -0.22 0.23 0.00 0.00 176.35 176.53 3h88 s LEU 88 N -0.86 2.06 -0.06 1.79 2.96 -1.26 -1.14 118.68 122.17 3h88 s LEU 88 Ca 0.05 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3h88 s LEU 88 Cb -0.07 -1.37 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 3h88 s LEU 88 CO 0.01 0.14 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.36 3h88 s ILE 89 N 0.42 1.59 0.21 6.68 1.01 -0.58 -4.91 121.20 125.62 3h88 s ILE 89 Ca -0.17 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3h88 s ILE 89 Cb -0.18 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3h88 s ILE 89 CO 0.07 0.45 0.37 -0.76 0.00 0.00 0.00 174.94 175.08 3h88 s LEU 90 N 0.20 4.25 0.00 2.97 1.43 -1.26 -0.86 118.68 125.41 3h88 s LEU 90 Ca -0.09 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3h88 s LEU 90 Cb -0.14 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3h88 s LEU 90 CO 0.04 -0.05 0.36 -1.54 0.23 0.00 0.00 176.35 175.39 3h88 n SER 91 N -0.90 -1.03 0.00 2.29 3.41 -0.19 -4.62 113.62 112.58 3h88 n SER 91 Ca -0.06 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3h88 n SER 91 Cb 0.55 1.82 0.00 0.00 -0.26 0.00 0.00 64.21 66.31 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 -0.34 1.96 0.18 5.00 0.00 -1.26 -1.68 105.19 109.05 3h88 n GLY 92 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.33 1.61 5.75 -1.95 -2.34 115.11 117.85 3h88 h GLN 93 Ca 0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3h88 h GLN 93 Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 3h88 h GLN 93 CO 0.00 0.43 0.08 0.00 -2.65 0.00 0.00 178.83 176.69 3h88 h ALA 94 N 1.57 0.36 -0.67 3.38 0.00 -1.77 -1.12 119.26 121.02 3h88 h ALA 94 Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 94 Cb 0.77 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3h88 h ALA 94 CO 0.06 -0.32 0.24 0.00 0.00 0.00 0.00 179.25 179.22 3h88 h ALA 95 N 1.23 1.15 -0.46 0.00 0.00 -0.92 -1.43 119.26 118.83 3h88 h ALA 95 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 95 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h88 h ALA 95 CO -0.19 0.60 0.14 0.93 0.00 0.00 0.00 179.25 180.73 3h88 h GLU 96 N 0.98 0.72 -0.34 0.00 4.39 -0.94 -0.42 114.58 118.97 3h88 h GLU 96 Ca 0.22 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3h88 h GLU 96 Cb 0.24 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3h88 h GLU 96 CO -0.01 0.69 0.16 -0.07 -1.16 0.00 0.00 179.01 178.62 3h88 h LEU 97 N 0.61 0.44 -1.13 1.33 4.07 -1.11 -1.65 115.31 117.88 3h88 h LEU 97 Ca 0.15 -0.13 0.05 0.00 0.08 0.00 0.00 57.88 58.03 3h88 h LEU 97 Cb 0.27 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 3h88 h LEU 97 CO -0.00 0.45 0.59 0.00 -1.08 0.00 0.00 178.44 178.39 3h88 h ALA 98 N 1.01 1.46 -0.47 1.53 0.00 -1.07 0.65 119.26 122.37 3h88 h ALA 98 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 98 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h88 h ALA 98 CO -0.01 0.43 0.14 0.77 0.00 0.00 0.00 179.25 180.58 3h88 h SER 99 N 1.09 0.70 -0.09 0.00 0.02 -0.58 -0.32 113.55 114.36 3h88 h SER 99 Ca 0.37 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3h88 h SER 99 Cb 0.10 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3h88 h SER 99 CO -0.13 0.72 0.05 1.56 -1.14 0.00 0.00 176.83 177.90 3h88 h GLN 100 N 0.63 0.14 -0.00 3.45 4.20 -0.58 -0.59 115.11 122.36 3h88 h GLN 100 Ca 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3h88 h GLN 100 Cb 0.28 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3h88 h GLN 100 CO -0.00 0.11 -0.08 1.28 -0.67 0.00 0.00 178.83 179.46 3h88 n LEU 101 N -4.50 0.36 -2.54 1.46 4.77 0.15 -4.93 117.00 111.77 3h88 n LEU 101 Ca -0.01 0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 3h88 n LEU 101 Cb 0.10 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3h88 n LEU 101 CO 0.35 0.07 -0.10 0.00 -1.33 0.00 0.00 177.39 176.38 3h88 n GLN 102 N -1.03 -3.35 -1.95 3.23 6.02 -0.23 -4.85 117.38 115.23 3h88 n GLN 102 Ca 0.15 0.87 -0.42 0.00 -0.01 0.00 0.00 57.00 57.59 3h88 n GLN 102 Cb 0.26 -5.52 -0.03 0.00 1.02 0.00 0.00 30.24 25.98 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 -3.06 2.63 0.00 5.09 1.01 -0.23 -4.35 120.40 121.48 3h88 s VAL 103 Ca 0.17 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3h88 s VAL 103 Cb -0.07 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3h88 s VAL 103 CO 0.21 0.04 0.00 -1.84 0.00 0.00 0.00 175.10 173.51 3h88 n GLU 104 N 3.67 2.06 -3.84 2.72 0.28 0.21 -4.82 120.64 120.93 3h88 n GLU 104 Ca 0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.00 3h88 n GLU 104 Cb 0.39 -0.82 -0.13 0.00 1.43 0.00 0.00 31.44 32.31 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3h88 s ASN 105 N -1.54 -0.08 -0.06 -1.84 -0.87 -0.75 -5.02 114.94 104.78 3h88 s ASN 105 Ca 0.00 0.17 0.02 0.00 -1.57 0.00 0.00 52.86 51.48 3h88 s ASN 105 Cb 0.00 0.16 0.01 0.00 -0.02 0.00 0.00 41.25 41.40 3h88 s ASN 105 CO 0.00 -0.04 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.74 3h88 s ILE 106 N 0.13 1.10 -0.00 0.60 1.01 -1.26 -1.17 121.20 121.61 3h88 s ILE 106 Ca -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3h88 s ILE 106 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3h88 s ILE 106 CO -0.00 0.34 -0.15 -1.00 0.00 0.00 0.00 174.94 174.13 3h88 s HIS 107 N 0.58 1.32 -0.01 3.97 3.76 -0.61 -4.81 115.29 119.50 3h88 s HIS 107 Ca -0.13 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 3h88 s HIS 107 Cb -0.15 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 32.71 3h88 s HIS 107 CO 0.03 -0.01 -0.00 -1.17 -0.85 0.00 0.00 174.74 172.74 3h88 s LEU 108 N -0.49 1.81 0.05 0.89 2.96 -1.26 -0.94 118.68 121.70 3h88 s LEU 108 Ca 0.05 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3h88 s LEU 108 Cb -0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 3h88 s LEU 108 CO -0.00 -0.02 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.37 3h88 s SER 109 N 0.20 1.02 0.00 3.68 0.15 -0.16 -4.68 113.70 113.92 3h88 s SER 109 Ca -0.02 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 56.12 3h88 s SER 109 Cb -0.03 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3h88 s SER 109 CO -0.01 -0.17 -0.10 -0.63 1.20 0.00 0.00 173.24 173.54 3h88 s ILE 110 N -1.31 0.77 0.00 6.45 1.01 -1.26 -1.29 121.20 125.57 3h88 s ILE 110 Ca -0.08 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3h88 s ILE 110 Cb -0.10 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 3h88 s ILE 110 CO 0.01 0.13 0.09 -0.55 0.00 0.00 0.00 174.94 174.62 3h88 s SER 111 N -0.46 0.06 0.03 3.58 0.15 -1.26 -5.01 113.70 110.79 3h88 s SER 111 Ca 0.02 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 3h88 s SER 111 Cb -0.05 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 3h88 s SER 111 CO -0.00 -0.31 -0.02 1.51 1.20 0.00 0.00 173.24 175.61 3h88 s ASP 112 N -1.23 0.30 0.00 5.45 -4.77 -1.26 -4.43 116.67 110.74 3h88 s ASP 112 Ca -0.13 -0.63 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 3h88 s ASP 112 Cb -0.07 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 41.89 3h88 s ASP 112 CO 0.01 -0.39 0.00 -0.62 0.70 0.00 0.00 175.17 174.87 3h88 n GLU 113 N 1.17 3.68 -0.18 2.11 -0.58 0.20 -5.00 120.64 122.04 3h88 n GLU 113 Ca -0.21 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.51 3h88 n GLU 113 Cb 0.57 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.52 3h88 n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h88 h ARG 114 N 0.00 0.34 0.00 3.49 3.08 -2.04 -3.30 114.38 115.95 3h88 h ARG 114 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h88 h ARG 114 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3h88 h ARG 114 CO 0.00 0.22 -1.64 0.72 -1.07 0.00 0.00 179.97 178.21 3h88 n HIS 115 N -5.03 0.00 -4.31 3.04 8.25 -1.26 -4.91 115.22 111.00 3h88 n HIS 115 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 3h88 n HIS 115 Cb 0.25 -0.33 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 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 -3.06 0.78 0.49 4.41 1.51 -1.25 -0.99 117.35 119.25 3h88 s TYR 116 Ca -0.05 -0.18 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 3h88 s TYR 116 Cb 0.11 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.46 3h88 s TYR 116 CO 0.67 -0.01 0.28 0.00 -1.11 0.00 0.00 175.55 175.38 3h88 s ALA 117 N -0.32 4.12 -0.26 3.71 0.00 -0.12 -0.63 121.76 128.27 3h88 s ALA 117 Ca 0.02 -1.42 -0.33 0.00 0.00 0.00 0.00 51.96 50.24 3h88 s ALA 117 Cb -0.04 -0.55 0.17 0.00 0.00 0.00 0.00 23.12 22.70 3h88 s ALA 117 CO -0.00 -0.29 1.30 0.00 0.00 0.00 0.00 175.76 176.77 3h88 s ALA 119 N -2.71 -2.11 0.01 0.00 0.00 -0.55 -0.08 121.76 116.32 3h88 s ALA 119 Ca 0.33 1.81 0.04 0.00 0.00 0.00 0.00 51.96 54.14 3h88 s ALA 119 Cb -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3h88 s ALA 119 CO 0.19 -0.39 -0.13 0.99 0.00 0.00 0.00 175.76 176.42 3h88 s THR 120 N -1.55 1.04 -0.02 0.00 2.01 -0.41 -1.59 115.64 115.11 3h88 s THR 120 Ca 0.09 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3h88 s THR 120 Cb -0.01 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 3h88 s THR 120 CO -0.05 0.14 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.19 3h88 s VAL 121 N -0.58 1.10 -0.08 3.82 1.01 -0.16 -0.99 120.40 124.53 3h88 s VAL 121 Ca 0.03 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3h88 s VAL 121 Cb -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3h88 s VAL 121 CO 0.00 0.32 -0.18 -0.63 0.00 0.00 0.00 175.10 174.62 3h88 s ILE 122 N -0.07 1.56 -0.11 2.22 1.01 -0.12 -1.04 121.20 124.65 3h88 s ILE 122 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 3h88 s ILE 122 Cb -0.08 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3h88 s ILE 122 CO 0.00 0.45 0.03 -0.76 0.00 0.00 0.00 174.94 174.66 3h88 s LEU 123 N 0.51 3.71 -0.00 2.97 1.43 -0.47 -1.57 118.68 125.26 3h88 s LEU 123 Ca -0.17 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3h88 s LEU 123 Cb -0.17 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3h88 s LEU 123 CO 0.06 0.33 -0.15 -1.61 0.23 0.00 0.00 176.35 175.20 3h88 s GLU 124 N -0.57 1.21 0.00 1.70 2.02 -0.31 0.15 118.70 122.89 3h88 s GLU 124 Ca 0.10 -0.60 0.31 0.00 0.02 0.00 0.00 54.97 54.80 3h88 s GLU 124 Cb -0.12 -1.19 1.84 0.00 0.10 0.00 0.00 34.13 34.76 3h88 s GLU 124 CO 0.02 0.32 2.16 0.54 0.02 0.00 0.00 175.26 178.33