#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 1.95 -0.33 0.00 1.01 -1.26 -4.92 121.20 117.65 3h88 s ILE 2 Ca 0.00 -0.93 0.18 0.00 0.00 0.00 0.00 60.65 59.91 3h88 s ILE 2 Cb 0.00 -1.72 -0.25 0.00 0.01 0.00 0.00 42.46 40.50 3h88 s ILE 2 CO 0.00 0.53 0.54 1.33 0.00 0.00 0.00 174.94 177.34 3h88 n VAL 3 N 3.92 0.00 -3.54 2.92 0.24 0.26 -4.91 118.33 117.21 3h88 n VAL 3 Ca -0.20 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.65 3h88 n VAL 3 Cb 0.52 0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 3h88 n VAL 3 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h88 s GLY 4 N -3.59 -0.48 -0.01 7.63 0.00 -1.12 -4.93 107.32 104.82 3h88 s GLY 4 Ca -0.02 1.58 0.02 0.00 0.00 0.00 0.00 44.72 46.31 3h88 s GLY 4 CO 0.75 1.04 -0.07 -2.27 0.00 0.00 0.00 173.10 172.56 3h88 s LEU 5 N -1.05 1.98 -0.03 0.66 2.96 -1.25 -1.11 118.68 120.85 3h88 s LEU 5 Ca -0.08 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3h88 s LEU 5 Cb -0.01 -0.38 0.01 0.00 0.50 0.00 0.00 46.19 46.32 3h88 s LEU 5 CO 0.07 0.08 0.17 -0.83 -1.32 0.00 0.00 176.35 174.52 3h88 s GLY 6 N -0.12 -0.04 0.03 7.98 0.00 -0.47 -3.65 107.32 111.06 3h88 s GLY 6 Ca 0.02 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 3h88 s GLY 6 CO -0.00 0.03 0.08 -1.08 0.00 0.00 0.00 173.10 172.13 3h88 s THR 7 N -0.83 0.13 -0.13 0.90 -1.32 -1.26 -1.34 115.64 111.79 3h88 s THR 7 Ca -0.09 -1.09 -0.22 0.00 -1.21 0.00 0.00 61.69 59.08 3h88 s THR 7 Cb -0.05 -0.84 0.05 0.00 -1.51 0.00 0.00 72.50 70.15 3h88 s THR 7 CO 0.01 -0.60 0.56 -0.62 -2.21 0.00 0.00 174.62 171.76 3h88 s ASP 8 N -2.06 -0.54 -0.03 8.08 2.15 -0.57 -4.56 116.67 119.14 3h88 s ASP 8 Ca -0.06 0.84 0.04 0.00 0.43 0.00 0.00 52.55 53.80 3h88 s ASP 8 Cb -0.02 0.84 -0.00 0.00 -0.30 0.00 0.00 42.92 43.43 3h88 s ASP 8 CO -0.04 -0.37 -0.15 -0.51 -0.17 0.00 0.00 175.17 173.93 3h88 s ILE 9 N -0.43 1.27 -0.04 4.11 2.07 -1.26 -1.83 121.20 125.09 3h88 s ILE 9 Ca -0.06 -0.65 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 3h88 s ILE 9 Cb -0.03 -1.09 -0.00 0.00 0.13 0.00 0.00 42.46 41.47 3h88 s ILE 9 CO 0.04 0.37 -0.15 0.00 -1.91 0.00 0.00 174.94 173.29 3h88 s ALA 10 N -0.06 1.38 -0.27 1.50 0.00 0.76 -4.99 121.76 120.09 3h88 s ALA 10 Ca -0.01 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 3h88 s ALA 10 Cb -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3h88 s ALA 10 CO 0.01 0.24 0.94 -2.00 0.00 0.00 0.00 175.76 174.96 3h88 s GLU 11 N 0.09 4.14 0.24 0.00 2.12 -1.26 -1.23 118.70 122.80 3h88 s GLU 11 Ca -0.04 1.04 -0.06 0.00 0.36 0.00 0.00 54.97 56.27 3h88 s GLU 11 Cb -0.11 -3.68 0.25 0.00 0.26 0.00 0.00 34.13 30.85 3h88 s GLU 11 CO 0.02 -0.67 1.85 0.82 -0.54 0.00 0.00 175.26 176.74 3h88 h ILE 12 N 5.53 1.25 -0.17 -3.70 2.04 -1.48 -2.39 117.51 118.60 3h88 h ILE 12 Ca -0.21 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3h88 h ILE 12 Cb 1.08 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3h88 h ILE 12 CO 0.94 0.29 -0.04 -0.08 0.00 0.00 0.00 178.15 179.27 3h88 h GLU 13 N 1.17 0.26 -0.26 2.37 4.81 -1.92 -0.67 114.58 120.33 3h88 h GLU 13 Ca 0.29 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3h88 h GLU 13 Cb 0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3h88 h GLU 13 CO -0.04 0.31 -0.16 0.00 -0.73 0.00 0.00 179.01 178.39 3h88 h ARG 14 N 0.25 0.46 -0.19 1.92 3.08 -1.81 0.34 114.38 118.43 3h88 h ARG 14 Ca 0.06 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3h88 h ARG 14 Cb 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3h88 h ARG 14 CO 0.01 0.61 -0.11 0.28 -1.07 0.00 0.00 179.97 179.69 3h88 h VAL 15 N 0.42 1.31 -0.39 2.04 2.07 -1.33 -1.25 116.25 119.13 3h88 h VAL 15 Ca 0.07 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.47 3h88 h VAL 15 Cb 0.53 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3h88 h VAL 15 CO 0.03 0.36 0.04 -0.33 0.02 0.00 0.00 177.57 177.69 3h88 h GLU 16 N 0.08 0.14 -0.71 1.57 5.08 -0.94 -0.60 114.58 119.21 3h88 h GLU 16 Ca 0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3h88 h GLU 16 Cb 0.60 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3h88 h GLU 16 CO 0.03 0.10 0.23 0.87 -1.00 0.00 0.00 179.01 179.23 3h88 h LYS 17 N 0.15 1.09 -0.89 2.33 1.57 -0.88 -1.78 116.57 118.17 3h88 h LYS 17 Ca 0.19 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3h88 h LYS 17 Cb 0.25 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3h88 h LYS 17 CO -0.29 0.93 0.53 0.00 -0.57 0.00 0.00 179.45 180.05 3h88 h ALA 18 N 1.19 1.25 -0.25 3.86 0.00 -0.59 -2.50 119.26 122.22 3h88 h ALA 18 Ca 0.23 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 18 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h88 h ALA 18 CO -0.01 0.63 -0.37 -0.07 0.00 0.00 0.00 179.25 179.44 3h88 h LEU 19 N 1.23 0.59 -1.81 0.00 3.38 -0.81 0.90 115.31 118.79 3h88 h LEU 19 Ca 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3h88 h LEU 19 Cb -0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3h88 h LEU 19 CO -0.06 0.90 -0.15 0.00 0.09 0.00 0.00 178.44 179.23 3h88 h ALA 20 N 1.13 1.43 0.01 1.53 0.00 -1.07 -1.19 119.26 121.11 3h88 h ALA 20 Ca 0.05 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 3h88 h ALA 20 Cb 0.85 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3h88 h ALA 20 CO 0.07 0.19 -1.36 0.54 0.00 0.00 0.00 179.25 178.69 3h88 n ARG 21 N -3.89 0.59 -0.00 0.00 1.74 -0.96 -4.73 116.66 109.40 3h88 n ARG 21 Ca -0.02 0.54 0.01 0.00 -0.77 0.00 0.00 57.85 57.61 3h88 n ARG 21 Cb 0.24 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 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 -4.33 1.28 0.00 0.55 7.64 0.28 -5.06 113.62 113.98 3h88 n SER 22 Ca -0.32 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.16 3h88 n SER 22 Cb 0.73 1.02 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 1.40 3.54 0.33 0.23 0.00 -0.45 -1.69 105.19 108.55 3h88 n GLY 23 Ca 0.00 0.10 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 0.83 0.00 0.00 0.00 173.32 174.15 3h88 h GLU 24 N 0.00 0.75 -0.76 1.61 4.39 -1.96 -0.21 114.58 118.40 3h88 h GLU 24 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3h88 h GLU 24 Cb 0.00 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 3h88 h GLU 24 CO 0.00 0.49 0.42 -0.91 -1.16 0.00 0.00 179.01 177.85 3h88 h ASN 25 N 0.77 0.93 -0.05 1.42 2.35 -1.75 0.07 115.58 119.32 3h88 h ASN 25 Ca 0.23 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3h88 h ASN 25 Cb -0.02 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.12 3h88 h ASN 25 CO -0.06 0.74 -0.28 0.15 -1.65 0.00 0.00 177.43 176.33 3h88 h PHE 26 N 1.05 0.38 -0.57 1.19 3.57 -1.10 -3.16 116.94 118.31 3h88 h PHE 26 Ca 0.27 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3h88 h PHE 26 Cb 0.02 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3h88 h PHE 26 CO 0.01 0.91 0.33 0.00 -2.23 0.00 0.00 178.31 177.33 3h88 h ALA 27 N 0.39 0.73 0.00 2.41 0.00 -0.83 -1.55 119.26 120.42 3h88 h ALA 27 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h88 h ALA 27 Cb 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h88 h ALA 27 CO 0.06 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3h88 h ARG 28 N 0.65 0.00 -0.20 0.00 3.08 -1.09 0.29 114.38 117.12 3h88 h ARG 28 Ca 0.23 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 3h88 h ARG 28 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3h88 h ARG 28 CO -0.11 0.00 -0.40 -0.09 -1.07 0.00 0.00 179.97 178.30 3h88 h ARG 29 N 0.00 0.45 0.09 0.04 2.43 -1.24 -3.34 114.38 112.81 3h88 h ARG 29 Ca 0.00 -0.22 -0.37 0.00 -0.81 0.00 0.00 59.98 58.58 3h88 h ARG 29 Cb 0.45 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3h88 h ARG 29 CO 0.00 0.77 -2.10 -0.89 -1.51 0.00 0.00 179.97 176.25 3h88 n ILE 30 N -4.03 1.70 -3.87 1.20 2.08 -0.57 -4.54 119.36 111.33 3h88 n ILE 30 Ca -0.01 -0.60 -0.34 0.00 0.56 0.00 0.00 62.75 62.35 3h88 n ILE 30 Cb 0.50 -1.67 -0.05 0.00 -0.75 0.00 0.00 39.64 37.66 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 -6.96 4.37 0.52 1.39 1.43 -0.01 -4.39 118.68 115.02 3h88 s LEU 31 Ca -0.26 0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 3h88 s LEU 31 Cb 0.07 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 3h88 s LEU 31 CO 0.71 0.28 1.00 0.42 0.23 0.00 0.00 176.35 178.99 3h88 s THR 32 N -1.29 4.26 0.39 5.49 -4.23 -1.26 -4.68 115.64 114.33 3h88 s THR 32 Ca 0.26 1.16 0.22 0.00 -1.18 0.00 0.00 61.69 62.15 3h88 s THR 32 Cb -0.13 -3.59 0.40 0.00 1.34 0.00 0.00 72.50 70.52 3h88 s THR 32 CO 0.16 -0.55 1.64 0.44 -0.54 0.00 0.00 174.62 175.78 3h88 h ASP 33 N 1.01 0.37 -0.56 3.99 3.32 -1.98 0.38 116.42 122.95 3h88 h ASP 33 Ca -0.47 0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 3h88 h ASP 33 Cb 1.20 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 3h88 h ASP 33 CO 0.60 -0.19 0.10 0.28 -1.72 0.00 0.00 179.24 178.31 3h88 h SER 34 N 0.18 0.88 0.08 6.45 0.02 -2.03 -2.99 113.55 116.13 3h88 h SER 34 Ca 0.78 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 61.36 3h88 h SER 34 Cb 2.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 3h88 h SER 34 CO -0.54 0.91 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.35 3h88 h GLU 35 N 0.81 0.41 -0.94 3.45 5.08 -0.66 -3.10 114.58 119.63 3h88 h GLU 35 Ca 0.17 -0.19 0.20 0.00 -1.00 0.00 0.00 59.36 58.53 3h88 h GLU 35 Cb 0.40 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 3h88 h GLU 35 CO 0.01 0.73 0.61 -0.07 -1.00 0.00 0.00 179.01 179.29 3h88 h LEU 36 N 0.34 0.53 -0.58 1.33 3.38 -1.02 -1.83 115.31 117.48 3h88 h LEU 36 Ca 0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3h88 h LEU 36 Cb 0.83 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3h88 h LEU 36 CO 0.07 0.21 0.34 -0.33 0.09 0.00 0.00 178.44 178.82 3h88 h GLU 37 N 0.53 0.65 -0.10 1.13 5.08 -1.58 0.97 114.58 121.25 3h88 h GLU 37 Ca 0.50 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.68 3h88 h GLU 37 Cb 1.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3h88 h GLU 37 CO -0.24 0.43 -0.55 1.96 -1.00 0.00 0.00 179.01 179.61 3h88 h GLN 38 N 0.67 0.31 0.17 2.33 4.20 -1.53 -2.99 115.11 118.26 3h88 h GLN 38 Ca 0.24 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3h88 h GLN 38 Cb 0.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3h88 h GLN 38 CO -0.11 0.78 -0.08 0.35 -0.67 0.00 0.00 178.83 179.09 3h88 h PHE 39 N 0.24 -0.21 -0.06 2.96 3.57 -0.84 -2.31 116.94 120.29 3h88 h PHE 39 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3h88 h PHE 39 Cb 1.04 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 3h88 h PHE 39 CO 0.02 -0.03 0.06 0.45 -2.23 0.00 0.00 178.31 176.58 3h88 h HIS 40 N -0.35 0.00 -0.00 0.41 3.86 -0.84 0.30 115.15 118.52 3h88 h HIS 40 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3h88 h HIS 40 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3h88 h HIS 40 CO -0.03 0.00 -0.29 0.00 0.86 0.00 0.00 177.93 178.47 3h88 n ALA 41 N -2.36 3.05 -1.78 2.45 0.00 -0.91 -4.88 120.51 116.08 3h88 n ALA 41 Ca -0.02 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 3h88 n ALA 41 Cb 0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3h88 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h88 s SER 42 N -2.92 6.48 0.00 0.00 0.15 0.09 -4.95 113.70 112.55 3h88 s SER 42 Ca 0.14 2.13 0.22 0.00 0.70 0.00 0.00 55.95 59.14 3h88 s SER 42 Cb 0.18 -2.59 0.51 0.00 -1.71 0.00 0.00 66.02 62.42 3h88 s SER 42 CO 0.61 -0.69 1.44 0.29 1.20 0.00 0.00 173.24 176.10 3h88 n LYS 43 N -0.33 2.60 -3.01 5.44 5.02 -1.26 -4.47 118.16 122.14 3h88 n LYS 43 Ca 0.06 -2.42 -0.18 0.00 -2.02 0.00 0.00 58.31 53.75 3h88 n LYS 43 Cb 0.49 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.47 1.43 -0.27 1.97 6.02 -1.26 -5.00 117.38 121.74 3h88 n GLN 44 Ca 0.21 -3.61 -0.03 0.00 -0.01 0.00 0.00 57.00 53.56 3h88 n GLN 44 Cb 0.59 -1.71 0.14 0.00 1.02 0.00 0.00 30.24 30.29 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 1.12 -0.79 -1.09 4.20 -1.89 -1.22 115.11 118.42 3h88 h GLN 45 Ca 0.07 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3h88 h GLN 45 Cb 0.95 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 3h88 h GLN 45 CO 0.56 0.84 0.38 0.78 -0.67 0.00 0.00 178.83 180.72 3h88 h GLY 46 N 1.15 1.22 0.91 3.46 0.00 -1.94 -0.33 103.07 107.55 3h88 h GLY 46 Ca 0.28 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3h88 h GLY 46 CO -0.04 0.58 0.10 3.21 0.00 0.00 0.00 176.54 180.39 3h88 h ARG 47 N 1.12 0.48 -0.14 4.80 3.08 -1.76 -0.82 114.38 121.14 3h88 h ARG 47 Ca 0.27 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3h88 h ARG 47 Cb 0.12 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3h88 h ARG 47 CO -0.03 0.51 -0.24 0.35 -1.07 0.00 0.00 179.97 179.49 3h88 h PHE 48 N 0.34 -0.63 -0.47 3.04 3.57 -1.12 -2.56 116.94 119.11 3h88 h PHE 48 Ca 0.10 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3h88 h PHE 48 Cb 0.23 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3h88 h PHE 48 CO 0.00 -0.32 -0.07 1.25 -2.23 0.00 0.00 178.31 176.94 3h88 h LEU 49 N -0.29 0.81 -0.92 0.59 5.85 -0.95 -2.49 115.31 117.90 3h88 h LEU 49 Ca 0.10 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3h88 h LEU 49 Cb 0.45 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3h88 h LEU 49 CO -0.31 0.92 0.60 0.00 -0.34 0.00 0.00 178.44 179.31 3h88 h ALA 50 N 1.16 1.18 -0.61 1.25 0.00 -0.96 0.33 119.26 121.60 3h88 h ALA 50 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3h88 h ALA 50 Cb 0.56 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h88 h ALA 50 CO 0.03 0.52 0.07 0.87 0.00 0.00 0.00 179.25 180.75 3h88 h LYS 51 N 1.21 1.03 -0.44 0.00 1.57 -1.24 0.17 116.57 118.87 3h88 h LYS 51 Ca 0.35 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 3h88 h LYS 51 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3h88 h LYS 51 CO -0.09 0.98 -0.17 0.00 -0.57 0.00 0.00 179.45 179.60 3h88 h ARG 52 N 0.94 0.90 -0.29 3.15 2.47 -0.99 -0.14 114.38 120.42 3h88 h ARG 52 Ca 0.18 -0.37 0.03 0.00 -1.26 0.00 0.00 59.98 58.56 3h88 h ARG 52 Cb 0.47 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 3h88 h ARG 52 CO 0.02 1.02 0.08 0.35 0.56 0.00 0.00 179.97 182.00 3h88 h PHE 53 N 0.73 0.14 -0.51 3.04 3.57 -0.15 -0.27 116.94 123.49 3h88 h PHE 53 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3h88 h PHE 53 Cb 0.73 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3h88 h PHE 53 CO 0.05 0.05 0.23 0.00 -2.23 0.00 0.00 178.31 176.41 3h88 h ALA 54 N 1.19 0.66 -0.35 2.41 0.00 -0.69 -1.19 119.26 121.29 3h88 h ALA 54 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h88 h ALA 54 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h88 h ALA 54 CO -0.15 0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.56 3h88 h ALA 55 N 1.07 0.45 -0.33 0.00 0.00 -0.74 0.47 119.26 120.17 3h88 h ALA 55 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h88 h ALA 55 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h88 h ALA 55 CO -0.02 -0.07 0.05 0.87 0.00 0.00 0.00 179.25 180.08 3h88 h LYS 56 N 0.47 0.55 -0.62 0.00 1.57 -0.94 0.13 116.57 117.73 3h88 h LYS 56 Ca 0.13 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3h88 h LYS 56 Cb -0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3h88 h LYS 56 CO -0.03 0.64 0.38 0.93 -0.57 0.00 0.00 179.45 180.81 3h88 h GLU 57 N 0.38 0.73 -0.70 3.15 5.08 -1.09 0.24 114.58 122.37 3h88 h GLU 57 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3h88 h GLU 57 Cb 0.36 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3h88 h GLU 57 CO 0.01 0.48 0.44 0.00 -1.00 0.00 0.00 179.01 178.94 3h88 h ALA 58 N 1.27 0.90 -0.48 3.43 0.00 -0.46 -2.28 119.26 121.63 3h88 h ALA 58 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h88 h ALA 58 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3h88 h ALA 58 CO -0.10 0.35 0.29 0.00 0.00 0.00 0.00 179.25 179.80 3h88 h ALA 59 N 1.23 0.62 0.00 0.00 0.00 -0.28 -1.13 119.26 119.70 3h88 h ALA 59 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3h88 h ALA 59 Cb -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3h88 h ALA 59 CO -0.05 0.10 -0.15 0.66 0.00 0.00 0.00 179.25 179.81 3h88 h SER 60 N 0.65 0.00 0.74 0.00 4.64 -0.25 -2.11 113.55 117.22 3h88 h SER 60 Ca 0.17 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.24 3h88 h SER 60 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3h88 h SER 60 CO -0.03 0.15 -1.21 0.11 -0.87 0.00 0.00 176.83 174.98 3h88 h LYS 61 N 0.00 0.16 -0.02 4.77 1.57 -0.79 -0.79 116.57 121.46 3h88 h LYS 61 Ca -0.00 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3h88 h LYS 61 Cb 0.28 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3h88 h LYS 61 CO 0.02 1.09 -0.04 0.00 -0.57 0.00 0.00 179.45 179.96 3h88 h ALA 62 N 0.75 1.90 0.00 3.86 0.00 -0.58 -2.19 119.26 123.00 3h88 h ALA 62 Ca -0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3h88 h ALA 62 Cb 1.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3h88 h ALA 62 CO 0.17 0.07 -0.28 1.25 0.00 0.00 0.00 179.25 180.46 3h88 h LEU 63 N 0.03 0.00 0.00 0.00 5.85 -1.41 -3.34 115.31 116.44 3h88 h LEU 63 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3h88 h LEU 63 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3h88 h LEU 63 CO 0.01 0.28 0.00 0.61 -0.34 0.00 0.00 178.44 178.99 3h88 n GLY 64 N 0.61 0.64 0.04 3.75 0.00 -0.82 -4.94 105.19 104.46 3h88 n GLY 64 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 3h88 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h88 n THR 65 N -2.03 0.54 -4.45 2.61 -2.24 -1.12 -5.03 114.28 102.56 3h88 n THR 65 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3h88 n THR 65 Cb 0.00 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 2.28 -1.40 3.48 3.38 0.00 -0.32 -4.23 105.19 108.38 3h88 n GLY 66 Ca -0.13 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 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 4.71 -0.01 -0.61 -1.09 -1.26 -4.75 121.20 118.19 3h88 s ILE 67 Ca 0.00 -1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 56.23 3h88 s ILE 67 Cb 0.00 -4.89 0.11 0.00 -1.58 0.00 0.00 42.46 36.10 3h88 s ILE 67 CO 0.00 -1.63 1.28 0.00 -1.23 0.00 0.00 174.94 173.35 3h88 s ALA 68 N 2.65 -2.32 -1.41 9.38 0.00 -0.83 -4.96 121.76 124.27 3h88 s ALA 68 Ca 0.39 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3h88 s ALA 68 Cb -0.03 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.74 3h88 s ALA 68 CO -0.05 -1.10 0.37 1.04 0.00 0.00 0.00 175.76 176.02 3h88 n GLN 69 N -0.69 -3.50 0.00 0.00 3.00 -1.26 -0.40 117.38 114.53 3h88 n GLN 69 Ca -0.03 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 3h88 n GLN 69 Cb 0.61 -5.48 0.00 0.00 0.00 0.00 0.00 30.24 25.37 3h88 n GLN 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h88 n GLY 70 N -1.21 2.46 3.69 1.08 0.00 -1.26 -5.02 105.19 104.93 3h88 n GLY 70 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.82 4.62 0.33 1.61 1.01 0.46 -4.49 120.40 121.12 3h88 s VAL 71 Ca 0.00 1.89 0.04 0.00 0.00 0.00 0.00 61.98 63.91 3h88 s VAL 71 Cb 0.00 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3h88 s VAL 71 CO 0.00 0.03 0.06 0.42 0.00 0.00 0.00 175.10 175.61 3h88 s THR 72 N 1.88 1.18 0.41 3.92 -4.23 -1.26 -1.95 115.64 115.59 3h88 s THR 72 Ca 0.51 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.16 3h88 s THR 72 Cb -0.21 -2.79 0.35 0.00 1.34 0.00 0.00 72.50 71.19 3h88 s THR 72 CO 0.21 0.00 1.90 -0.26 -0.54 0.00 0.00 174.62 175.93 3h88 h PHE 73 N 2.11 0.57 0.00 3.99 0.04 -1.87 0.44 116.94 122.22 3h88 h PHE 73 Ca -0.41 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.38 3h88 h PHE 73 Cb 1.24 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3h88 h PHE 73 CO 0.59 0.21 0.00 0.45 -0.60 0.00 0.00 178.31 178.96 3h88 h HIS 74 N 0.48 0.00 0.00 -0.55 3.86 -1.80 -2.87 115.15 114.28 3h88 h HIS 74 Ca 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 3h88 h HIS 74 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 3h88 h HIS 74 CO -0.00 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.54 3h88 n ASP 75 N -2.63 0.00 -4.00 2.45 8.00 0.15 -4.73 116.55 115.79 3h88 n ASP 75 Ca -0.00 -0.70 -0.23 0.00 0.71 0.00 0.00 54.79 54.57 3h88 n ASP 75 Cb 0.18 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.10 3h88 n ASP 75 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h88 s PHE 76 N -2.02 1.23 -0.06 1.24 0.08 -1.08 -0.80 117.98 116.57 3h88 s PHE 76 Ca 0.34 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.02 3h88 s PHE 76 Cb 0.16 -0.92 -0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3h88 s PHE 76 CO 0.27 -0.22 -0.19 0.99 -0.10 0.00 0.00 175.22 175.97 3h88 s THR 77 N 0.60 1.58 -0.17 0.64 2.01 -0.63 -4.78 115.64 114.89 3h88 s THR 77 Ca -0.12 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 3h88 s THR 77 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3h88 s THR 77 CO 0.02 0.45 0.07 -0.63 -0.69 0.00 0.00 174.62 173.84 3h88 s ILE 78 N 0.17 4.87 0.25 1.82 1.09 -1.26 -1.96 121.20 126.18 3h88 s ILE 78 Ca -0.08 -0.01 0.04 0.00 -1.10 0.00 0.00 60.65 59.49 3h88 s ILE 78 Cb -0.14 -3.18 -0.01 0.00 -1.06 0.00 0.00 42.46 38.07 3h88 s ILE 78 CO 0.04 0.49 0.13 -1.54 -0.10 0.00 0.00 174.94 173.96 3h88 n SER 79 N 3.23 0.48 -4.18 3.58 3.41 -0.05 -4.96 113.62 115.13 3h88 n SER 79 Ca -0.17 -2.45 -0.16 0.00 -0.26 0.00 0.00 58.87 55.83 3h88 n SER 79 Cb 0.53 0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 65.22 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 -2.70 1.14 0.76 7.33 3.76 -1.26 0.85 115.29 125.17 3h88 s HIS 80 Ca 0.19 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 3h88 s HIS 80 Cb 0.01 -0.63 0.16 0.00 1.11 0.00 0.00 32.58 33.23 3h88 s HIS 80 CO 0.13 0.04 1.04 -0.40 -0.85 0.00 0.00 174.74 174.70 3h88 n ASP 81 N 0.90 1.08 0.29 1.40 5.68 -0.42 -4.90 116.55 120.58 3h88 n ASP 81 Ca -0.18 -1.98 0.18 0.00 -0.50 0.00 0.00 54.79 52.30 3h88 n ASP 81 Cb 0.56 -0.70 0.86 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.02 0.11 2.10 -2.02 0.11 116.57 116.86 3h88 h LYS 82 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3h88 h LYS 82 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3h88 h LYS 82 CO 0.34 0.04 -0.30 1.28 -2.00 0.00 0.00 179.45 178.81 3h88 n LEU 83 N -3.24 1.81 0.00 7.07 4.77 -1.26 -4.96 117.00 121.19 3h88 n LEU 83 Ca -0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3h88 n LEU 83 Cb 0.22 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3h88 n LEU 83 CO 0.26 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3h88 n GLY 84 N 1.36 0.40 3.68 -0.72 0.00 0.40 -5.05 105.19 105.27 3h88 n GLY 84 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 3h88 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h88 n LYS 85 N -1.93 2.41 -2.46 1.61 4.81 -1.26 -4.68 118.16 116.66 3h88 n LYS 85 Ca 0.00 0.87 -0.38 0.00 -0.87 0.00 0.00 58.31 57.93 3h88 n LYS 85 Cb 0.00 -2.69 -0.04 0.00 0.02 0.00 0.00 35.03 32.32 3h88 n LYS 85 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3h88 s PRO 86 N 1.74 4.32 0.02 1.64 0.04 -1.26 -1.29 135.00 140.21 3h88 s PRO 86 Ca 0.80 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.60 3h88 s PRO 86 Cb -0.61 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 3h88 s PRO 86 CO 0.38 -0.04 -0.19 -0.51 0.04 0.00 0.00 177.00 176.68 3h88 s LEU 87 N -2.16 2.12 -0.17 -3.56 1.43 0.25 -4.55 118.68 112.05 3h88 s LEU 87 Ca 0.53 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3h88 s LEU 87 Cb -0.28 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3h88 s LEU 87 CO 0.35 0.16 -0.20 -0.22 0.23 0.00 0.00 176.35 176.67 3h88 s LEU 88 N -0.91 2.17 -0.10 1.79 2.96 -1.26 -0.87 118.68 122.47 3h88 s LEU 88 Ca 0.06 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3h88 s LEU 88 Cb -0.08 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 3h88 s LEU 88 CO 0.01 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.23 3h88 s ILE 89 N 1.12 2.40 0.32 6.68 1.01 -0.83 -4.90 121.20 127.00 3h88 s ILE 89 Ca 0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 3h88 s ILE 89 Cb -0.14 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.33 3h88 s ILE 89 CO -0.09 0.55 0.65 -0.76 0.00 0.00 0.00 174.94 175.30 3h88 s LEU 90 N 0.20 4.01 0.36 2.97 1.43 -1.26 -1.61 118.68 124.79 3h88 s LEU 90 Ca -0.13 0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 53.93 3h88 s LEU 90 Cb -0.16 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.26 3h88 s LEU 90 CO 0.07 -0.23 0.52 -0.94 0.23 0.00 0.00 176.35 175.99 3h88 s SER 91 N -2.83 0.96 0.71 2.29 1.04 0.02 -4.63 113.70 111.25 3h88 s SER 91 Ca 0.49 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3h88 s SER 91 Cb -0.11 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3h88 s SER 91 CO 0.26 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3h88 n GLY 92 N -0.59 1.91 0.24 7.32 0.00 -1.26 -1.66 105.19 111.16 3h88 n GLY 92 Ca 0.00 -0.44 0.10 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 0.25 1.61 5.75 -1.94 -2.38 115.11 118.39 3h88 h GLN 93 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h88 h GLN 93 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3h88 h GLN 93 CO 0.00 0.17 -0.12 0.00 -2.65 0.00 0.00 178.83 176.24 3h88 h ALA 94 N 1.83 -0.33 -0.83 3.38 0.00 -1.71 -0.45 119.26 121.15 3h88 h ALA 94 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h88 h ALA 94 Cb 0.45 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3h88 h ALA 94 CO 0.02 -0.68 0.53 0.00 0.00 0.00 0.00 179.25 179.12 3h88 h ALA 95 N 0.42 1.09 -0.01 0.00 0.00 -0.83 0.47 119.26 120.41 3h88 h ALA 95 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h88 h ALA 95 Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h88 h ALA 95 CO 0.06 0.36 0.01 0.93 0.00 0.00 0.00 179.25 180.61 3h88 h GLU 96 N 1.04 0.01 -0.77 0.00 5.08 -1.30 -0.60 114.58 118.03 3h88 h GLU 96 Ca 0.33 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3h88 h GLU 96 Cb 0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3h88 h GLU 96 CO -0.11 0.05 0.47 -0.07 -1.00 0.00 0.00 179.01 178.34 3h88 h LEU 97 N -0.02 0.93 -0.54 1.33 3.38 -0.69 -2.25 115.31 117.43 3h88 h LEU 97 Ca 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3h88 h LEU 97 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3h88 h LEU 97 CO -0.00 0.71 0.35 0.00 0.09 0.00 0.00 178.44 179.60 3h88 h ALA 98 N 1.25 0.69 -0.45 1.53 0.00 -0.78 -1.94 119.26 119.57 3h88 h ALA 98 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3h88 h ALA 98 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3h88 h ALA 98 CO -0.05 0.11 0.26 1.03 0.00 0.00 0.00 179.25 180.59 3h88 h SER 99 N 0.72 0.41 0.06 0.00 0.87 -0.82 -0.14 113.55 114.64 3h88 h SER 99 Ca 0.20 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3h88 h SER 99 Cb -0.06 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3h88 h SER 99 CO -0.05 0.29 -0.04 1.56 -0.53 0.00 0.00 176.83 178.05 3h88 h GLN 100 N 0.51 0.00 -0.00 2.24 4.20 -1.09 -1.30 115.11 119.67 3h88 h GLN 100 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3h88 h GLN 100 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3h88 h GLN 100 CO -0.09 0.04 -0.29 1.28 -0.67 0.00 0.00 178.83 179.10 3h88 n LEU 101 N -4.25 0.78 -0.26 1.46 4.77 -0.21 -4.94 117.00 114.37 3h88 n LEU 101 Ca -0.03 -0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 55.79 3h88 n LEU 101 Cb 0.13 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3h88 n LEU 101 CO 0.32 0.15 -0.03 0.00 -1.33 0.00 0.00 177.39 176.51 3h88 n GLN 102 N -0.93 -0.19 -2.32 3.23 1.13 -0.39 -4.89 117.38 113.02 3h88 n GLN 102 Ca 0.11 0.19 -0.43 0.00 -1.94 0.00 0.00 57.00 54.93 3h88 n GLN 102 Cb 0.33 -3.82 -0.02 0.00 0.11 0.00 0.00 30.24 26.84 3h88 n GLN 102 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3h88 s VAL 103 N -2.11 4.06 -0.03 5.09 1.01 -0.93 -3.86 120.40 123.63 3h88 s VAL 103 Ca 0.00 1.33 0.09 0.00 0.00 0.00 0.00 61.98 63.40 3h88 s VAL 103 Cb 0.00 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.39 3h88 s VAL 103 CO 0.00 -0.08 0.17 -0.62 0.00 0.00 0.00 175.10 174.57 3h88 n GLU 104 N 6.28 0.69 -4.65 2.72 1.02 -0.25 -4.85 120.64 121.60 3h88 n GLU 104 Ca 0.14 -0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 3h88 n GLU 104 Cb 0.44 -1.22 -0.16 0.00 -0.02 0.00 0.00 31.44 30.49 3h88 n GLU 104 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h88 s ASN 105 N -3.25 1.76 -0.11 1.62 -0.87 -0.93 -5.03 114.94 108.13 3h88 s ASN 105 Ca -0.04 -0.28 0.03 0.00 -1.57 0.00 0.00 52.86 51.00 3h88 s ASN 105 Cb 0.05 -0.46 0.01 0.00 -0.02 0.00 0.00 41.25 40.82 3h88 s ASN 105 CO 0.38 0.12 -0.22 -0.63 -2.57 0.00 0.00 177.10 174.18 3h88 s ILE 106 N 0.08 1.97 -0.04 0.60 1.01 -1.26 -1.20 121.20 122.35 3h88 s ILE 106 Ca -0.03 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.74 3h88 s ILE 106 Cb -0.10 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3h88 s ILE 106 CO 0.01 0.54 -0.25 -1.00 0.00 0.00 0.00 174.94 174.24 3h88 s HIS 107 N 0.57 2.39 0.01 3.97 3.76 -0.57 -4.82 115.29 120.60 3h88 s HIS 107 Ca -0.14 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 3h88 s HIS 107 Cb -0.17 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 3h88 s HIS 107 CO 0.04 -0.14 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.58 3h88 s LEU 108 N -0.36 2.06 0.00 0.89 2.96 -1.26 -1.21 118.68 121.75 3h88 s LEU 108 Ca 0.02 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3h88 s LEU 108 Cb -0.12 -0.16 -0.00 0.00 0.50 0.00 0.00 46.19 46.41 3h88 s LEU 108 CO 0.02 -0.01 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.48 3h88 s SER 109 N -0.39 0.04 0.05 3.68 0.15 -0.40 -4.69 113.70 112.15 3h88 s SER 109 Ca -0.01 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.63 3h88 s SER 109 Cb -0.03 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 3h88 s SER 109 CO -0.00 -0.04 -0.18 -0.63 1.20 0.00 0.00 173.24 173.59 3h88 s ILE 110 N -0.19 1.44 -0.04 6.45 1.01 -1.26 -0.99 121.20 127.62 3h88 s ILE 110 Ca -0.02 -1.18 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 3h88 s ILE 110 Cb -0.01 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.20 3h88 s ILE 110 CO -0.00 0.07 0.34 -0.55 0.00 0.00 0.00 174.94 174.80 3h88 s SER 111 N -1.30 -0.25 0.04 3.58 0.15 -1.26 -4.99 113.70 109.68 3h88 s SER 111 Ca 0.05 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3h88 s SER 111 Cb -0.09 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3h88 s SER 111 CO 0.02 -0.40 -0.04 1.51 1.20 0.00 0.00 173.24 175.52 3h88 s ASP 112 N -1.07 0.55 0.00 5.45 -4.77 -1.26 -4.49 116.67 111.07 3h88 s ASP 112 Ca -0.11 -0.70 0.00 0.00 -3.30 0.00 0.00 52.55 48.43 3h88 s ASP 112 Cb -0.05 0.11 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 3h88 s ASP 112 CO 0.04 -0.38 0.00 -0.62 0.70 0.00 0.00 175.17 174.91 3h88 n GLU 113 N 0.97 3.59 -0.24 2.11 -0.58 -0.03 -5.00 120.64 121.46 3h88 n GLU 113 Ca -0.20 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.57 3h88 n GLU 113 Cb 0.57 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.59 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 0.52 0.00 3.49 2.43 -2.04 -3.32 114.38 115.46 3h88 h ARG 114 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h88 h ARG 114 Cb 0.00 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3h88 h ARG 114 CO 0.00 0.34 -1.47 0.72 -1.51 0.00 0.00 179.97 178.05 3h88 n HIS 115 N -4.92 0.00 -4.34 2.20 8.25 -1.26 -4.92 115.22 110.24 3h88 n HIS 115 Ca 0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.38 3h88 n HIS 115 Cb 0.31 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.69 1.13 0.47 4.41 2.02 -1.25 -1.12 117.35 120.31 3h88 s TYR 116 Ca -0.04 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 3h88 s TYR 116 Cb 0.06 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 3h88 s TYR 116 CO 0.42 0.02 0.10 0.00 -1.57 0.00 0.00 175.55 174.52 3h88 s ALA 117 N -0.80 3.79 0.00 3.71 0.00 -0.37 -0.85 121.76 127.24 3h88 s ALA 117 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3h88 s ALA 117 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3h88 s ALA 117 CO 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.63 3h88 n ALA 119 N -1.25 0.00 -2.75 0.00 0.00 -0.76 -0.17 120.51 115.58 3h88 n ALA 119 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 3h88 n ALA 119 Cb 0.66 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.98 3h88 n ALA 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h88 s THR 120 N -1.99 0.73 -0.02 0.00 2.01 -0.16 -1.51 115.64 114.69 3h88 s THR 120 Ca 0.00 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.21 3h88 s THR 120 Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3h88 s THR 120 CO 0.00 -0.09 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.07 3h88 s VAL 121 N -0.83 0.65 -0.08 3.82 1.01 -0.45 -1.27 120.40 123.25 3h88 s VAL 121 Ca -0.02 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3h88 s VAL 121 Cb -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.74 3h88 s VAL 121 CO 0.01 0.21 -0.16 -0.63 0.00 0.00 0.00 175.10 174.53 3h88 s ILE 122 N 0.22 1.42 -0.16 2.22 1.01 -0.35 -1.36 121.20 124.20 3h88 s ILE 122 Ca -0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3h88 s ILE 122 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3h88 s ILE 122 CO 0.00 0.42 0.05 -0.76 0.00 0.00 0.00 174.94 174.65 3h88 s LEU 123 N 0.64 3.76 0.09 2.97 1.43 -0.27 -1.51 118.68 125.80 3h88 s LEU 123 Ca -0.14 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3h88 s LEU 123 Cb -0.16 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3h88 s LEU 123 CO 0.04 0.22 -0.17 -1.83 0.23 0.00 0.00 176.35 174.85 3h88 s GLU 124 N 0.07 0.94 0.27 1.70 -1.05 -0.34 -0.58 118.70 119.71 3h88 s GLU 124 Ca 0.05 -1.05 -0.01 0.00 -0.15 0.00 0.00 54.97 53.81 3h88 s GLU 124 Cb -0.12 -1.03 -0.04 0.00 -0.44 0.00 0.00 34.13 32.50 3h88 s GLU 124 CO 0.01 0.23 0.48 1.03 0.95 0.00 0.00 175.26 177.96 3h88 s ARG 125 N -1.86 3.53 0.00 -4.83 0.52 -1.26 -1.09 118.95 113.95 3h88 s ARG 125 Ca 0.02 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 3h88 s ARG 125 Cb -0.10 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3h88 s ARG 125 CO 0.03 0.28 0.00 0.54 0.02 0.00 0.00 175.30 176.17