#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h88 h VAL 3 N 0.00 1.11 -1.73 1.39 2.07 -1.04 -3.48 116.25 114.57 3h88 h VAL 3 Ca 0.00 -2.81 0.09 0.00 0.82 0.00 0.00 66.70 64.80 3h88 h VAL 3 Cb 0.00 2.52 -0.21 0.00 -1.52 0.00 0.00 31.29 32.08 3h88 h VAL 3 CO 0.00 0.63 0.53 -0.83 0.02 0.00 0.00 177.57 177.92 3h88 s GLY 4 N -4.85 -0.33 -0.03 2.17 0.00 -1.13 -4.97 107.32 98.18 3h88 s GLY 4 Ca -0.01 1.76 0.02 0.00 0.00 0.00 0.00 44.72 46.49 3h88 s GLY 4 CO 0.81 0.86 -0.07 -2.27 0.00 0.00 0.00 173.10 172.43 3h88 s LEU 5 N -1.45 1.68 0.02 0.66 2.96 -1.26 -1.60 118.68 119.70 3h88 s LEU 5 Ca -0.00 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3h88 s LEU 5 Cb -0.01 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 3h88 s LEU 5 CO -0.01 0.03 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.20 3h88 s GLY 6 N 0.37 0.19 0.04 7.98 0.00 -0.43 -3.66 107.32 111.82 3h88 s GLY 6 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 3h88 s GLY 6 CO 0.00 -0.54 -0.03 -1.08 0.00 0.00 0.00 173.10 171.45 3h88 s THR 7 N -1.21 0.21 -0.13 0.90 -1.32 -1.26 -0.68 115.64 112.16 3h88 s THR 7 Ca -0.13 -1.52 -0.23 0.00 -1.21 0.00 0.00 61.69 58.59 3h88 s THR 7 Cb -0.08 -1.12 0.06 0.00 -1.51 0.00 0.00 72.50 69.84 3h88 s THR 7 CO -0.01 -0.83 0.58 -0.62 -2.21 0.00 0.00 174.62 171.53 3h88 s ASP 8 N -2.45 -0.56 -0.02 8.08 2.15 -0.44 -4.45 116.67 118.97 3h88 s ASP 8 Ca -0.00 0.83 0.05 0.00 0.43 0.00 0.00 52.55 53.86 3h88 s ASP 8 Cb 0.02 0.82 -0.01 0.00 -0.30 0.00 0.00 42.92 43.45 3h88 s ASP 8 CO -0.07 -0.39 -0.18 -0.51 -0.17 0.00 0.00 175.17 173.85 3h88 s ILE 9 N -0.51 1.46 -0.02 4.11 2.07 -1.26 -1.76 121.20 125.29 3h88 s ILE 9 Ca -0.06 -0.77 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 3h88 s ILE 9 Cb -0.03 -1.23 -0.00 0.00 0.13 0.00 0.00 42.46 41.33 3h88 s ILE 9 CO 0.05 0.42 -0.10 0.00 -1.91 0.00 0.00 174.94 173.39 3h88 s ALA 10 N -0.28 0.90 -0.29 1.50 0.00 0.10 -4.99 121.76 118.71 3h88 s ALA 10 Ca 0.03 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 3h88 s ALA 10 Cb -0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3h88 s ALA 10 CO 0.00 0.17 0.80 -2.00 0.00 0.00 0.00 175.76 174.73 3h88 s GLU 11 N 0.06 4.02 0.19 0.00 2.12 -1.26 -0.84 118.70 122.98 3h88 s GLU 11 Ca -0.01 0.68 -0.12 0.00 0.36 0.00 0.00 54.97 55.88 3h88 s GLU 11 Cb -0.07 -3.71 0.10 0.00 0.26 0.00 0.00 34.13 30.71 3h88 s GLU 11 CO 0.00 -0.65 1.80 0.82 -0.54 0.00 0.00 175.26 176.70 3h88 h ILE 12 N 5.56 1.20 -0.33 -3.70 2.04 -1.51 -2.81 117.51 117.96 3h88 h ILE 12 Ca -0.24 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3h88 h ILE 12 Cb 1.10 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3h88 h ILE 12 CO 0.88 0.22 0.12 -0.08 0.00 0.00 0.00 178.15 179.30 3h88 h GLU 13 N 0.88 0.47 -0.78 2.37 4.81 -1.91 -0.46 114.58 119.95 3h88 h GLU 13 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3h88 h GLU 13 Cb 0.04 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3h88 h GLU 13 CO -0.04 0.40 0.34 0.00 -0.73 0.00 0.00 179.01 178.99 3h88 h ARG 14 N 0.47 1.15 -0.40 1.92 3.08 -1.89 -0.06 114.38 118.65 3h88 h ARG 14 Ca 0.12 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3h88 h ARG 14 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3h88 h ARG 14 CO -0.01 0.91 -0.08 0.28 -1.07 0.00 0.00 179.97 180.00 3h88 h VAL 15 N 1.13 1.27 -0.51 2.04 2.07 -1.25 -1.87 116.25 119.13 3h88 h VAL 15 Ca 0.27 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3h88 h VAL 15 Cb 0.17 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3h88 h VAL 15 CO -0.03 0.39 0.28 -0.33 0.02 0.00 0.00 177.57 177.90 3h88 h GLU 16 N 0.58 0.53 -0.69 1.57 5.08 -0.85 -1.15 114.58 119.66 3h88 h GLU 16 Ca 0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3h88 h GLU 16 Cb 0.60 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3h88 h GLU 16 CO 0.04 0.35 0.32 0.87 -1.00 0.00 0.00 179.01 179.60 3h88 h LYS 17 N 0.55 1.00 -0.73 2.33 1.57 -0.98 -1.66 116.57 118.65 3h88 h LYS 17 Ca 0.22 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3h88 h LYS 17 Cb 0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3h88 h LYS 17 CO -0.13 0.79 0.41 0.00 -0.57 0.00 0.00 179.45 179.96 3h88 h ALA 18 N 1.15 0.94 -0.65 3.86 0.00 -1.03 -2.56 119.26 120.97 3h88 h ALA 18 Ca 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h88 h ALA 18 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3h88 h ALA 18 CO -0.03 0.44 0.22 -0.07 0.00 0.00 0.00 179.25 179.81 3h88 h LEU 19 N 1.01 0.94 -2.44 0.00 3.38 -1.02 0.50 115.31 117.68 3h88 h LEU 19 Ca 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h88 h LEU 19 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3h88 h LEU 19 CO -0.04 0.89 -0.02 0.00 0.09 0.00 0.00 178.44 179.36 3h88 h ALA 20 N 1.09 1.44 0.02 1.53 0.00 -1.12 0.17 119.26 122.39 3h88 h ALA 20 Ca 0.21 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 3h88 h ALA 20 Cb 0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3h88 h ALA 20 CO -0.01 0.02 -1.76 0.54 0.00 0.00 0.00 179.25 178.04 3h88 n ARG 21 N -3.74 0.61 0.00 0.00 1.74 -0.98 -4.77 116.66 109.53 3h88 n ARG 21 Ca -0.03 0.42 0.01 0.00 -0.77 0.00 0.00 57.85 57.48 3h88 n ARG 21 Cb 0.10 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.87 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 -4.13 0.13 0.00 0.55 7.64 0.14 -5.06 113.62 112.88 3h88 n SER 22 Ca -0.38 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 58.94 3h88 n SER 22 Cb 0.82 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.95 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 0.97 3.11 0.36 0.23 0.00 0.59 -1.92 105.19 108.52 3h88 n GLY 23 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.55 -0.93 1.61 4.57 -1.96 -0.18 114.58 118.24 3h88 h GLU 24 Ca 0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3h88 h GLU 24 Cb 0.00 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3h88 h GLU 24 CO 0.00 0.36 0.61 -0.91 -1.18 0.00 0.00 179.01 177.89 3h88 h ASN 25 N 0.57 1.01 0.12 1.04 2.35 -1.81 0.16 115.58 119.02 3h88 h ASN 25 Ca 0.32 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3h88 h ASN 25 Cb 0.49 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3h88 h ASN 25 CO -0.10 0.69 -0.06 0.15 -1.65 0.00 0.00 177.43 176.46 3h88 h PHE 26 N 1.17 -0.15 -0.91 1.19 3.57 -1.10 -3.27 116.94 117.44 3h88 h PHE 26 Ca 0.37 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.01 3h88 h PHE 26 Cb 0.00 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 3h88 h PHE 26 CO -0.01 0.32 0.52 0.00 -2.23 0.00 0.00 178.31 176.91 3h88 h ALA 27 N -0.04 1.40 0.00 2.41 0.00 -0.94 -2.09 119.26 120.00 3h88 h ALA 27 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h88 h ALA 27 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h88 h ALA 27 CO 0.03 0.02 0.00 -0.09 0.00 0.00 0.00 179.25 179.20 3h88 h ARG 28 N 0.76 0.00 -0.11 0.00 2.43 -0.80 -0.47 114.38 116.19 3h88 h ARG 28 Ca 0.49 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.47 3h88 h ARG 28 Cb 0.63 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3h88 h ARG 28 CO -0.33 0.00 -0.71 -0.09 -1.51 0.00 0.00 179.97 177.33 3h88 h ARG 29 N 0.00 0.50 0.09 0.20 2.43 -1.42 -3.33 114.38 112.85 3h88 h ARG 29 Ca 0.00 -0.40 -0.31 0.00 -0.81 0.00 0.00 59.98 58.46 3h88 h ARG 29 Cb 0.59 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3h88 h ARG 29 CO 0.00 1.03 -1.61 0.82 -1.51 0.00 0.00 179.97 178.69 3h88 h ILE 30 N 0.35 1.04 -3.23 1.20 2.04 -1.38 -3.41 117.51 114.12 3h88 h ILE 30 Ca -0.03 -2.73 -0.67 0.00 1.00 0.00 0.00 64.86 62.42 3h88 h ILE 30 Cb 1.29 2.66 -0.14 0.00 -0.74 0.00 0.00 36.82 39.89 3h88 h ILE 30 CO 0.13 0.77 -0.60 -0.76 0.00 0.00 0.00 178.15 177.69 3h88 s LEU 31 N -6.81 3.69 0.95 1.44 1.43 -0.26 -4.50 118.68 114.63 3h88 s LEU 31 Ca -0.10 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 3h88 s LEU 31 Cb 0.07 -1.86 0.16 0.00 0.03 0.00 0.00 46.19 44.60 3h88 s LEU 31 CO 0.83 0.36 1.09 0.42 0.23 0.00 0.00 176.35 179.28 3h88 s THR 32 N -0.78 2.43 0.41 5.49 -4.23 -1.26 -4.67 115.64 113.02 3h88 s THR 32 Ca 0.12 0.14 0.13 0.00 -1.18 0.00 0.00 61.69 60.90 3h88 s THR 32 Cb -0.12 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.53 3h88 s THR 32 CO 0.02 -0.18 1.93 0.44 -0.54 0.00 0.00 174.62 176.30 3h88 h ASP 33 N -1.78 0.45 0.19 3.99 3.32 -1.99 -0.78 116.42 119.83 3h88 h ASP 33 Ca -0.52 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.29 3h88 h ASP 33 Cb 1.30 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.79 3h88 h ASP 33 CO 0.54 0.25 -1.07 -1.28 -1.72 0.00 0.00 179.24 175.95 3h88 h SER 34 N 0.49 0.74 0.22 6.45 0.87 -2.02 -2.85 113.55 117.46 3h88 h SER 34 Ca 0.35 -0.63 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3h88 h SER 34 Cb 0.68 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3h88 h SER 34 CO -0.12 1.44 -0.23 -0.33 -0.53 0.00 0.00 176.83 177.06 3h88 h GLU 35 N 0.29 0.02 0.00 2.24 5.08 -1.79 -2.67 114.58 117.74 3h88 h GLU 35 Ca -0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3h88 h GLU 35 Cb 1.73 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 3h88 h GLU 35 CO 0.20 0.25 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.36 3h88 h LEU 36 N 0.02 0.00 -0.62 1.33 3.38 -0.91 -1.50 115.31 117.01 3h88 h LEU 36 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3h88 h LEU 36 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3h88 h LEU 36 CO 0.03 0.04 0.12 -0.08 0.09 0.00 0.00 178.44 178.63 3h88 h GLU 37 N 0.00 1.01 -0.03 1.13 4.81 -1.49 0.58 114.58 120.59 3h88 h GLU 37 Ca -0.00 -0.26 -0.23 0.00 -0.13 0.00 0.00 59.36 58.74 3h88 h GLU 37 Cb 0.07 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.33 3h88 h GLU 37 CO 0.00 0.94 -0.92 1.96 -0.73 0.00 0.00 179.01 180.27 3h88 h GLN 38 N 0.92 0.53 -0.37 1.92 4.20 -1.46 -2.96 115.11 117.89 3h88 h GLN 38 Ca 0.19 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3h88 h GLN 38 Cb 0.41 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3h88 h GLN 38 CO 0.01 1.16 0.20 0.35 -0.67 0.00 0.00 178.83 179.88 3h88 h PHE 39 N 0.32 0.52 -0.16 2.96 3.57 -1.03 -2.42 116.94 120.69 3h88 h PHE 39 Ca -0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3h88 h PHE 39 Cb 1.55 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 3h88 h PHE 39 CO 0.07 0.40 -0.00 0.45 -2.23 0.00 0.00 178.31 177.00 3h88 h HIS 40 N 0.48 0.23 0.00 0.41 3.86 -0.87 -1.33 115.15 117.92 3h88 h HIS 40 Ca 0.13 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3h88 h HIS 40 Cb 0.06 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3h88 h HIS 40 CO -0.03 0.25 0.00 0.00 0.86 0.00 0.00 177.93 179.01 3h88 h ALA 41 N 1.77 1.00 -2.71 2.45 0.00 -1.30 -3.46 119.26 117.01 3h88 h ALA 41 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.45 3h88 h ALA 41 Cb 0.17 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.05 3h88 h ALA 41 CO 0.00 0.00 0.46 0.45 0.00 0.00 0.00 179.25 180.16 3h88 s SER 42 N -5.10 5.57 0.00 0.00 0.15 -0.50 -4.94 113.70 108.89 3h88 s SER 42 Ca 0.08 2.29 0.18 0.00 0.70 0.00 0.00 55.95 59.20 3h88 s SER 42 Cb 0.09 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.23 3h88 s SER 42 CO 0.59 -1.33 1.34 0.29 1.20 0.00 0.00 173.24 175.33 3h88 n LYS 43 N -1.29 2.50 -3.18 5.44 5.02 -1.26 -4.48 118.16 120.91 3h88 n LYS 43 Ca 0.12 -2.22 -0.19 0.00 -2.02 0.00 0.00 58.31 54.00 3h88 n LYS 43 Cb 0.50 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 3h88 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h88 n GLN 44 N 1.14 1.10 -0.34 1.97 10.64 -1.26 -5.00 117.38 125.61 3h88 n GLN 44 Ca 0.17 -3.47 0.01 0.00 -1.83 0.00 0.00 57.00 51.88 3h88 n GLN 44 Cb 0.52 -1.69 0.15 0.00 -0.86 0.00 0.00 30.24 28.36 3h88 n GLN 44 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h88 h GLN 45 N 3.14 1.09 -0.47 2.61 4.20 -1.88 -0.97 115.11 122.84 3h88 h GLN 45 Ca 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3h88 h GLN 45 Cb 0.93 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3h88 h GLN 45 CO 0.52 0.72 0.27 0.78 -0.67 0.00 0.00 178.83 180.45 3h88 h GLY 46 N 1.13 0.69 1.07 3.46 0.00 -1.94 0.53 103.07 108.00 3h88 h GLY 46 Ca 0.39 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 3h88 h GLY 46 CO -0.15 0.29 0.09 3.21 0.00 0.00 0.00 176.54 179.98 3h88 h ARG 47 N 0.62 1.08 -0.16 4.80 3.08 -1.80 0.62 114.38 122.62 3h88 h ARG 47 Ca 0.17 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3h88 h ARG 47 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3h88 h ARG 47 CO -0.03 1.01 0.06 0.35 -1.07 0.00 0.00 179.97 180.29 3h88 h PHE 48 N 1.00 0.11 -0.19 3.04 3.57 -0.95 -2.55 116.94 120.97 3h88 h PHE 48 Ca 0.19 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.55 3h88 h PHE 48 Cb 0.46 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3h88 h PHE 48 CO 0.03 0.06 -0.52 1.25 -2.23 0.00 0.00 178.31 176.90 3h88 h LEU 49 N 0.14 0.59 -0.90 0.59 5.85 -0.72 -2.33 115.31 118.54 3h88 h LEU 49 Ca 0.07 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3h88 h LEU 49 Cb 0.03 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3h88 h LEU 49 CO -0.06 1.01 0.59 0.00 -0.34 0.00 0.00 178.44 179.63 3h88 h ALA 50 N 1.01 1.15 -0.43 1.25 0.00 -0.74 0.21 119.26 121.71 3h88 h ALA 50 Ca 0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3h88 h ALA 50 Cb 1.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h88 h ALA 50 CO 0.10 0.49 -0.22 0.87 0.00 0.00 0.00 179.25 180.49 3h88 h LYS 51 N 1.18 0.91 -0.45 0.00 1.57 -1.27 -0.89 116.57 117.61 3h88 h LYS 51 Ca 0.34 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3h88 h LYS 51 Cb -0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3h88 h LYS 51 CO -0.09 1.06 0.12 0.00 -0.57 0.00 0.00 179.45 179.96 3h88 h ARG 52 N 0.74 0.72 -0.11 3.15 2.47 -1.05 -0.72 114.38 119.58 3h88 h ARG 52 Ca 0.09 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3h88 h ARG 52 Cb 0.79 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 3h88 h ARG 52 CO 0.07 0.72 0.07 0.35 0.56 0.00 0.00 179.97 181.73 3h88 h PHE 53 N 0.60 0.15 -0.53 3.04 3.57 -0.46 -0.39 116.94 122.91 3h88 h PHE 53 Ca 0.14 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3h88 h PHE 53 Cb 0.31 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3h88 h PHE 53 CO 0.02 0.12 0.31 0.00 -2.23 0.00 0.00 178.31 176.53 3h88 h ALA 54 N 1.02 0.68 -0.76 2.41 0.00 -1.04 -0.85 119.26 120.72 3h88 h ALA 54 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 54 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 54 CO -0.01 0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.72 3h88 h ALA 55 N 1.25 0.96 -0.02 0.00 0.00 -0.79 -0.46 119.26 120.20 3h88 h ALA 55 Ca 0.22 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3h88 h ALA 55 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h88 h ALA 55 CO -0.11 0.42 -0.84 0.87 0.00 0.00 0.00 179.25 179.59 3h88 h LYS 56 N 1.03 0.31 -0.33 0.00 1.57 -0.84 -0.99 116.57 117.32 3h88 h LYS 56 Ca 0.27 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3h88 h LYS 56 Cb -0.06 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3h88 h LYS 56 CO -0.05 0.98 -0.02 0.93 -0.57 0.00 0.00 179.45 180.72 3h88 h GLU 57 N 0.19 0.59 -0.84 3.15 5.08 -0.88 -0.91 114.58 120.96 3h88 h GLU 57 Ca -0.05 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3h88 h GLU 57 Cb 1.45 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 3h88 h GLU 57 CO 0.14 0.73 0.52 0.00 -1.00 0.00 0.00 179.01 179.40 3h88 h ALA 58 N 0.84 1.13 -0.70 3.43 0.00 -1.03 -2.00 119.26 120.93 3h88 h ALA 58 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3h88 h ALA 58 Cb 0.47 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3h88 h ALA 58 CO 0.02 0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.84 3h88 h ALA 59 N 1.38 0.91 0.00 0.00 0.00 -0.77 -0.75 119.26 120.02 3h88 h ALA 59 Ca 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h88 h ALA 59 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h88 h ALA 59 CO -0.16 0.53 -0.24 0.66 0.00 0.00 0.00 179.25 180.04 3h88 h SER 60 N 0.99 0.00 0.51 0.00 4.64 -0.75 -1.42 113.55 117.52 3h88 h SER 60 Ca 0.23 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.30 3h88 h SER 60 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3h88 h SER 60 CO -0.02 0.24 -1.12 0.11 -0.87 0.00 0.00 176.83 175.16 3h88 h LYS 61 N 0.00 0.33 -0.19 4.77 1.57 -0.86 0.13 116.57 122.32 3h88 h LYS 61 Ca -0.00 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.25 3h88 h LYS 61 Cb 0.54 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3h88 h LYS 61 CO 0.03 1.17 -0.18 0.00 -0.57 0.00 0.00 179.45 179.90 3h88 h ALA 62 N 0.64 1.34 0.00 3.86 0.00 -0.51 -2.24 119.26 122.36 3h88 h ALA 62 Ca -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3h88 h ALA 62 Cb 1.81 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 3h88 h ALA 62 CO 0.19 0.45 -0.12 -0.07 0.00 0.00 0.00 179.25 179.69 3h88 h LEU 63 N 0.30 0.00 0.00 0.00 3.38 -1.28 -3.36 115.31 114.36 3h88 h LEU 63 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h88 h LEU 63 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3h88 h LEU 63 CO 0.03 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3h88 n GLY 64 N -0.44 0.60 0.10 0.83 0.00 -0.84 -4.93 105.19 100.50 3h88 n GLY 64 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -2.00 1.20 -4.16 2.61 -2.24 -1.11 -5.02 114.28 103.55 3h88 n THR 65 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3h88 n THR 65 Cb 0.00 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 2.24 -1.85 3.46 3.38 0.00 0.42 -4.23 105.19 108.61 3h88 n GLY 66 Ca -0.33 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 43.90 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 4.87 0.15 -0.61 -1.09 -1.26 -4.75 121.20 118.51 3h88 s ILE 67 Ca 0.00 -2.16 -0.24 0.00 -2.23 0.00 0.00 60.65 56.02 3h88 s ILE 67 Cb 0.00 -4.87 0.08 0.00 -1.58 0.00 0.00 42.46 36.09 3h88 s ILE 67 CO 0.00 -1.59 1.03 0.00 -1.23 0.00 0.00 174.94 173.15 3h88 s ALA 68 N 2.15 -1.69 -1.45 9.38 0.00 -1.05 -4.94 121.76 124.16 3h88 s ALA 68 Ca 0.39 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 3h88 s ALA 68 Cb -0.03 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3h88 s ALA 68 CO -0.04 -1.06 0.64 1.04 0.00 0.00 0.00 175.76 176.35 3h88 n GLN 69 N -0.58 -4.64 0.00 0.00 1.13 -1.26 -1.04 117.38 110.99 3h88 n GLN 69 Ca -0.05 0.72 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 3h88 n GLN 69 Cb 0.60 -5.54 0.00 0.00 0.11 0.00 0.00 30.24 25.41 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 -1.45 1.62 3.70 1.08 0.00 -1.26 -5.04 105.19 103.84 3h88 n GLY 70 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.35 5.08 0.34 1.61 1.01 -0.21 -4.53 120.40 121.35 3h88 s VAL 71 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.25 3h88 s VAL 71 Cb 0.00 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3h88 s VAL 71 CO 0.00 0.23 0.05 0.42 0.00 0.00 0.00 175.10 175.80 3h88 s THR 72 N 1.08 1.36 0.47 3.92 -4.23 -1.26 -2.54 115.64 114.44 3h88 s THR 72 Ca 0.31 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 3h88 s THR 72 Cb -0.16 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.08 3h88 s THR 72 CO 0.13 -0.00 2.08 -0.26 -0.54 0.00 0.00 174.62 176.03 3h88 h PHE 73 N 2.05 0.11 0.00 3.99 -1.00 -1.88 -1.57 116.94 118.64 3h88 h PHE 73 Ca -0.41 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3h88 h PHE 73 Cb 1.24 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3h88 h PHE 73 CO 0.61 0.13 0.00 0.72 -1.61 0.00 0.00 178.31 178.15 3h88 n HIS 74 N -4.46 0.00 1.09 -0.55 8.25 -1.26 -2.32 115.22 115.97 3h88 n HIS 74 Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 3h88 n HIS 74 Cb 0.13 -0.38 0.63 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 -1.38 0.00 -4.23 0.41 8.00 -0.59 -4.71 116.55 114.05 3h88 n ASP 75 Ca 0.06 0.28 -0.32 0.00 0.71 0.00 0.00 54.79 55.52 3h88 n ASP 75 Cb 0.16 -0.42 -0.17 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.85 2.61 -0.12 1.24 0.40 -0.98 -0.34 117.98 117.94 3h88 s PHE 76 Ca 0.18 -1.06 0.03 0.00 -0.60 0.00 0.00 56.93 55.48 3h88 s PHE 76 Cb 0.18 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.97 3h88 s PHE 76 CO 0.48 -0.43 -0.21 0.99 0.70 0.00 0.00 175.22 176.74 3h88 s THR 77 N 0.44 1.96 -0.20 0.64 2.01 0.18 -4.76 115.64 115.90 3h88 s THR 77 Ca -0.16 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.77 3h88 s THR 77 Cb -0.17 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3h88 s THR 77 CO 0.06 0.53 0.35 -0.63 -0.69 0.00 0.00 174.62 174.25 3h88 s ILE 78 N 0.72 5.23 0.24 1.82 -1.09 -1.26 -1.05 121.20 125.82 3h88 s ILE 78 Ca -0.10 0.61 0.01 0.00 -2.23 0.00 0.00 60.65 58.94 3h88 s ILE 78 Cb -0.16 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3h88 s ILE 78 CO 0.01 0.28 0.03 -0.24 -1.23 0.00 0.00 174.94 173.79 3h88 n SER 79 N 4.36 2.03 -3.95 3.58 2.88 0.71 -4.93 113.62 118.29 3h88 n SER 79 Ca -0.10 -2.13 -0.09 0.00 -1.33 0.00 0.00 58.87 55.22 3h88 n SER 79 Cb 0.51 0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 64.20 3h88 n SER 79 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3h88 s HIS 80 N -2.10 0.21 0.71 0.66 3.76 -1.26 -0.27 115.29 117.01 3h88 s HIS 80 Ca 0.05 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 3h88 s HIS 80 Cb 0.00 -0.16 0.15 0.00 1.11 0.00 0.00 32.58 33.69 3h88 s HIS 80 CO 0.03 -0.21 0.98 -0.40 -0.85 0.00 0.00 174.74 174.28 3h88 n ASP 81 N 1.56 0.79 0.21 1.40 5.68 -0.50 -4.91 116.55 120.78 3h88 n ASP 81 Ca -0.24 -1.79 0.15 0.00 -0.50 0.00 0.00 54.79 52.41 3h88 n ASP 81 Cb 0.55 -0.68 0.61 0.00 -1.14 0.00 0.00 41.12 40.46 3h88 n ASP 81 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h88 h LYS 82 N 0.00 0.00 -0.10 0.11 2.10 -2.02 -1.64 116.57 115.03 3h88 h LYS 82 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3h88 h LYS 82 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3h88 h LYS 82 CO 0.29 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 179.02 3h88 n LEU 83 N -2.71 2.29 0.00 7.07 4.77 -1.26 -4.95 117.00 122.21 3h88 n LEU 83 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3h88 n LEU 83 Cb 0.27 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3h88 n LEU 83 CO 0.24 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3h88 n GLY 84 N 1.27 0.54 3.72 -0.72 0.00 -0.62 -5.06 105.19 104.33 3h88 n GLY 84 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3h88 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h88 s LYS 85 N -0.96 4.40 0.42 1.61 2.20 -1.26 -4.77 119.74 121.37 3h88 s LYS 85 Ca 0.00 1.91 -0.23 0.00 -0.36 0.00 0.00 55.97 57.29 3h88 s LYS 85 Cb 0.00 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.95 3h88 s LYS 85 CO 0.00 -0.29 1.03 -1.25 -0.36 0.00 0.00 175.35 174.48 3h88 s PRO 86 N 0.77 4.12 -0.02 4.03 0.04 -1.26 -1.42 135.00 141.26 3h88 s PRO 86 Ca 0.60 1.42 0.04 0.00 0.04 0.00 0.00 61.00 63.09 3h88 s PRO 86 Cb -0.33 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 3h88 s PRO 86 CO 0.31 -0.17 -0.14 -0.51 0.04 0.00 0.00 177.00 176.54 3h88 s LEU 87 N -2.86 1.96 -0.16 -3.56 1.43 0.63 -4.55 118.68 111.58 3h88 s LEU 87 Ca 0.60 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3h88 s LEU 87 Cb -0.19 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 3h88 s LEU 87 CO 0.24 0.15 -0.07 -0.22 0.23 0.00 0.00 176.35 176.68 3h88 s LEU 88 N -0.17 3.01 -0.09 1.79 2.96 -1.26 -0.21 118.68 124.72 3h88 s LEU 88 Ca 0.02 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3h88 s LEU 88 Cb -0.07 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3h88 s LEU 88 CO 0.00 0.13 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.32 3h88 s ILE 89 N 0.58 1.85 0.15 6.68 1.01 -0.22 -4.93 121.20 126.33 3h88 s ILE 89 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 3h88 s ILE 89 Cb -0.15 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3h88 s ILE 89 CO 0.03 0.51 0.36 -0.76 0.00 0.00 0.00 174.94 175.08 3h88 s LEU 90 N 0.36 4.26 0.35 2.97 1.43 -1.26 -0.65 118.68 126.15 3h88 s LEU 90 Ca -0.17 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3h88 s LEU 90 Cb -0.17 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 3h88 s LEU 90 CO 0.07 0.03 0.45 -0.94 0.23 0.00 0.00 176.35 176.19 3h88 s SER 91 N -2.70 1.21 0.84 2.29 1.04 0.54 -4.69 113.70 112.22 3h88 s SER 91 Ca 0.39 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3h88 s SER 91 Cb -0.12 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3h88 s SER 91 CO 0.27 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3h88 n GLY 92 N -0.61 2.39 0.20 7.32 0.00 -1.26 -2.37 105.19 110.87 3h88 n GLY 92 Ca 0.03 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 1.61 5.75 -1.94 -2.02 115.11 117.99 3h88 h GLN 93 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3h88 h GLN 93 Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3h88 h GLN 93 CO 0.00 0.30 0.19 0.00 -2.65 0.00 0.00 178.83 176.67 3h88 h ALA 94 N 1.70 0.67 -0.35 3.38 0.00 -1.80 -0.71 119.26 122.15 3h88 h ALA 94 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3h88 h ALA 94 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h88 h ALA 94 CO 0.04 0.30 -0.06 0.00 0.00 0.00 0.00 179.25 179.52 3h88 h ALA 95 N 1.04 0.48 -0.14 0.00 0.00 -1.08 0.02 119.26 119.58 3h88 h ALA 95 Ca 0.17 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3h88 h ALA 95 Cb 0.23 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3h88 h ALA 95 CO -0.01 0.31 -0.41 1.49 0.00 0.00 0.00 179.25 180.63 3h88 h GLU 96 N 0.46 -0.46 -0.86 0.00 4.57 -1.17 0.74 114.58 117.86 3h88 h GLU 96 Ca 0.09 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3h88 h GLU 96 Cb 0.56 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 3h88 h GLU 96 CO 0.03 -0.31 0.52 -0.07 -1.18 0.00 0.00 179.01 178.01 3h88 h LEU 97 N -0.48 1.03 -0.43 1.64 3.38 -0.94 -1.95 115.31 117.56 3h88 h LEU 97 Ca 0.08 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3h88 h LEU 97 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3h88 h LEU 97 CO -0.40 0.78 -0.11 0.00 0.09 0.00 0.00 178.44 178.81 3h88 h ALA 98 N 1.39 0.60 -0.36 1.53 0.00 -0.41 0.13 119.26 122.14 3h88 h ALA 98 Ca 0.31 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3h88 h ALA 98 Cb -0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 3h88 h ALA 98 CO -0.06 0.48 -0.14 1.03 0.00 0.00 0.00 179.25 180.57 3h88 h SER 99 N 0.66 -0.48 -0.22 0.00 0.87 -0.63 0.45 113.55 114.20 3h88 h SER 99 Ca 0.11 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3h88 h SER 99 Cb 0.64 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3h88 h SER 99 CO 0.04 -0.17 0.10 1.56 -0.53 0.00 0.00 176.83 177.83 3h88 h GLN 100 N -0.07 0.37 -0.00 2.24 4.20 -0.94 -0.28 115.11 120.64 3h88 h GLN 100 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3h88 h GLN 100 Cb 0.34 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3h88 h GLN 100 CO -0.41 0.32 -0.00 1.28 -0.67 0.00 0.00 178.83 179.35 3h88 n LEU 101 N -4.42 0.15 -2.34 1.46 4.77 -0.00 -4.91 117.00 111.69 3h88 n LEU 101 Ca 0.01 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 3h88 n LEU 101 Cb 0.13 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3h88 n LEU 101 CO 0.36 0.02 -0.25 0.00 -1.33 0.00 0.00 177.39 176.20 3h88 n GLN 102 N -0.91 -1.79 -1.85 3.23 6.02 -0.11 -4.85 117.38 117.12 3h88 n GLN 102 Ca 0.23 0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 57.77 3h88 n GLN 102 Cb 0.14 -5.61 -0.03 0.00 1.02 0.00 0.00 30.24 25.76 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 -3.02 2.53 0.00 5.09 1.01 -0.03 -3.86 120.40 122.12 3h88 s VAL 103 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3h88 s VAL 103 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3h88 s VAL 103 CO 0.02 0.01 0.00 -1.84 0.00 0.00 0.00 175.10 173.29 3h88 n GLU 104 N 4.54 0.68 -4.43 2.72 0.28 0.01 -4.78 120.64 119.66 3h88 n GLU 104 Ca 0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 3h88 n GLU 104 Cb 0.38 -0.94 -0.15 0.00 1.43 0.00 0.00 31.44 32.16 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 -1.83 1.21 -0.05 -1.84 0.01 -0.88 -5.01 114.94 106.55 3h88 s ASN 105 Ca 0.00 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 3h88 s ASN 105 Cb 0.00 -0.18 0.01 0.00 0.41 0.00 0.00 41.25 41.49 3h88 s ASN 105 CO 0.00 0.11 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.96 3h88 s ILE 106 N -0.14 1.04 -0.04 0.60 1.01 -1.26 -1.30 121.20 121.11 3h88 s ILE 106 Ca 0.02 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3h88 s ILE 106 Cb -0.05 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 3h88 s ILE 106 CO -0.00 0.32 -0.16 -1.00 0.00 0.00 0.00 174.94 174.10 3h88 s HIS 107 N 0.45 1.61 -0.02 3.97 3.76 -0.45 -4.79 115.29 119.82 3h88 s HIS 107 Ca -0.09 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3h88 s HIS 107 Cb -0.13 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.48 3h88 s HIS 107 CO 0.02 -0.14 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.55 3h88 s LEU 108 N 0.01 1.63 0.08 0.89 2.96 -1.26 -1.05 118.68 121.94 3h88 s LEU 108 Ca -0.03 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3h88 s LEU 108 Cb -0.11 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 3h88 s LEU 108 CO 0.02 0.00 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.32 3h88 s SER 109 N 0.43 2.12 0.01 3.68 0.15 -0.48 -4.65 113.70 114.96 3h88 s SER 109 Ca -0.05 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.00 3h88 s SER 109 Cb -0.09 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3h88 s SER 109 CO -0.00 0.01 -0.10 -0.63 1.20 0.00 0.00 173.24 173.71 3h88 s ILE 110 N -1.17 0.79 0.02 6.45 1.01 -1.26 -1.64 121.20 125.40 3h88 s ILE 110 Ca 0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3h88 s ILE 110 Cb -0.10 -0.70 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 3h88 s ILE 110 CO 0.03 0.07 0.11 -0.55 0.00 0.00 0.00 174.94 174.60 3h88 s SER 111 N -0.64 0.10 0.02 3.58 0.15 -1.26 -5.00 113.70 110.65 3h88 s SER 111 Ca 0.01 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.25 3h88 s SER 111 Cb -0.05 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3h88 s SER 111 CO 0.00 -0.44 0.05 1.51 1.20 0.00 0.00 173.24 175.57 3h88 s ASP 112 N -1.74 0.17 0.00 5.45 -4.77 -1.26 -4.45 116.67 110.06 3h88 s ASP 112 Ca -0.10 -0.44 0.00 0.00 -3.30 0.00 0.00 52.55 48.71 3h88 s ASP 112 Cb -0.05 0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 3h88 s ASP 112 CO -0.01 -0.39 0.00 -0.62 0.70 0.00 0.00 175.17 174.85 3h88 n GLU 113 N 1.28 3.25 -0.22 2.11 -0.58 -0.10 -5.00 120.64 121.39 3h88 n GLU 113 Ca -0.22 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.46 3h88 n GLU 113 Cb 0.56 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.47 3h88 n GLU 113 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h88 h ARG 114 N 0.00 0.84 0.00 3.49 2.43 -2.04 -3.31 114.38 115.80 3h88 h ARG 114 Ca 0.00 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 58.90 3h88 h ARG 114 Cb 0.00 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 3h88 h ARG 114 CO 0.00 0.60 -2.10 0.72 -1.51 0.00 0.00 179.97 177.68 3h88 n HIS 115 N -4.60 0.12 -4.51 2.20 8.25 -1.26 -4.87 115.22 110.55 3h88 n HIS 115 Ca 0.04 0.04 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 3h88 n HIS 115 Cb 0.06 -0.80 -0.14 0.00 1.12 0.00 0.00 29.99 30.23 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 -2.98 1.59 0.48 4.41 1.51 -1.25 -1.25 117.35 119.87 3h88 s TYR 116 Ca -0.08 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 3h88 s TYR 116 Cb 0.10 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.99 3h88 s TYR 116 CO 0.86 0.08 0.12 0.00 -1.11 0.00 0.00 175.55 175.49 3h88 s ALA 117 N -0.84 3.92 -0.22 3.71 0.00 -0.02 -0.92 121.76 127.38 3h88 s ALA 117 Ca 0.05 -1.21 -0.35 0.00 0.00 0.00 0.00 51.96 50.45 3h88 s ALA 117 Cb -0.08 -0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.01 3h88 s ALA 117 CO 0.02 -0.15 1.25 0.00 0.00 0.00 0.00 175.76 176.88 3h88 s ALA 119 N -2.78 -2.10 0.00 0.00 0.00 -0.72 0.02 121.76 116.18 3h88 s ALA 119 Ca 0.23 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.90 3h88 s ALA 119 Cb 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3h88 s ALA 119 CO 0.13 -0.53 -0.03 0.99 0.00 0.00 0.00 175.76 176.32 3h88 s THR 120 N -2.12 0.20 -0.03 0.00 2.01 -0.65 -1.33 115.64 113.72 3h88 s THR 120 Ca 0.09 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.95 3h88 s THR 120 Cb -0.01 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.32 3h88 s THR 120 CO -0.04 0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.10 3h88 s VAL 121 N -0.17 0.93 -0.08 3.82 1.01 0.14 -1.38 120.40 124.67 3h88 s VAL 121 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3h88 s VAL 121 Cb -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3h88 s VAL 121 CO -0.00 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.58 3h88 s ILE 122 N 0.13 1.56 -0.10 2.22 1.01 -0.22 -1.31 121.20 124.49 3h88 s ILE 122 Ca -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 3h88 s ILE 122 Cb -0.09 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3h88 s ILE 122 CO 0.01 0.45 0.03 -0.76 0.00 0.00 0.00 174.94 174.67 3h88 s LEU 123 N 0.51 3.74 -0.02 2.97 1.43 -0.63 -1.34 118.68 125.34 3h88 s LEU 123 Ca -0.16 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3h88 s LEU 123 Cb -0.17 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3h88 s LEU 123 CO 0.06 0.35 -0.08 -0.70 0.23 0.00 0.00 176.35 176.22 3h88 s GLU 124 N -0.73 0.85 0.13 1.70 2.12 -0.42 -0.36 118.70 122.00 3h88 s GLU 124 Ca 0.12 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.22 3h88 s GLU 124 Cb -0.12 -0.81 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 3h88 s GLU 124 CO 0.02 0.09 0.18 -0.98 -0.54 0.00 0.00 175.26 174.03 3h88 s ARG 125 N 0.23 3.13 0.00 4.30 1.70 -1.26 -0.81 118.95 126.23 3h88 s ARG 125 Ca -0.03 -0.71 0.09 0.00 -0.47 0.00 0.00 55.73 54.61 3h88 s ARG 125 Cb -0.08 -2.80 0.53 0.00 -0.57 0.00 0.00 34.95 32.02 3h88 s ARG 125 CO 0.00 0.52 0.98 -2.13 -1.08 0.00 0.00 175.30 173.59