#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m52 s SER 0 N 0.00 -0.51 0.38 1.61 0.15 -1.26 -5.17 113.70 108.90 3m52 s SER 0 Ca 0.00 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.82 3m52 s SER 0 Cb 0.00 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3m52 s SER 0 CO 0.00 -0.82 0.27 0.23 1.20 0.00 0.00 173.24 174.11 3m52 n MET 1 N 0.08 0.94 -2.12 5.44 2.81 -1.26 -5.07 117.12 117.94 3m52 n MET 1 Ca -0.18 -2.43 -0.40 0.00 -1.81 0.00 0.00 57.70 52.89 3m52 n MET 1 Cb 0.62 0.29 -0.03 0.00 -0.71 0.00 0.00 33.22 33.39 3m52 n MET 1 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m52 s ASP 2 N -3.24 5.55 0.11 7.83 2.15 -1.26 -4.91 116.67 122.90 3m52 s ASP 2 Ca 0.20 0.44 -0.14 0.00 0.43 0.00 0.00 52.55 53.48 3m52 s ASP 2 Cb -0.02 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 39.99 3m52 s ASP 2 CO 0.13 -2.14 1.41 0.15 -0.17 0.00 0.00 175.17 174.55 3m52 h PHE 3 N 13.75 0.92 -0.58 -5.34 3.57 -1.99 -1.54 116.94 125.74 3m52 h PHE 3 Ca -0.27 -0.29 -0.05 0.00 3.53 0.00 0.00 57.97 60.89 3m52 h PHE 3 Cb 1.15 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3m52 h PHE 3 CO 1.03 1.07 0.17 -1.35 -2.23 0.00 0.00 178.31 177.01 3m52 h PRO 4 N 0.51 0.87 -0.42 6.41 0.11 -2.00 -1.30 132.00 136.19 3m52 h PRO 4 Ca 0.04 -0.16 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3m52 h PRO 4 Cb 0.94 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3m52 h PRO 4 CO 0.09 0.76 -0.09 -0.56 -0.21 0.00 0.00 178.00 177.98 3m52 h GLN 5 N 0.85 0.81 -0.24 1.05 -0.00 -1.96 -2.87 115.11 112.74 3m52 h GLN 5 Ca 0.19 -0.30 -0.05 0.00 -0.00 0.00 0.00 58.65 58.49 3m52 h GLN 5 Cb 0.26 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.68 3m52 h GLN 5 CO -0.01 0.92 -0.05 1.25 -0.00 0.00 0.00 178.83 180.95 3m52 h HIS 6 N 0.63 0.52 -0.45 0.06 -0.00 -1.16 -2.69 115.15 112.06 3m52 h HIS 6 Ca 0.11 -0.11 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 3m52 h HIS 6 Cb 0.62 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3m52 h HIS 6 CO 0.05 0.68 0.14 0.66 -0.00 0.00 0.00 177.93 179.46 3m52 h SER 7 N 0.21 0.61 0.10 3.26 4.64 -1.31 -1.58 113.55 119.48 3m52 h SER 7 Ca 0.06 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3m52 h SER 7 Cb 0.50 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3m52 h SER 7 CO 0.02 0.58 -0.10 1.56 -0.87 0.00 0.00 176.83 178.03 3m52 h GLN 8 N 0.65 -0.22 -0.38 4.77 4.20 -1.40 0.08 115.11 122.81 3m52 h GLN 8 Ca 0.15 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3m52 h GLN 8 Cb 0.20 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3m52 h GLN 8 CO -0.01 -0.14 0.23 1.25 -0.67 0.00 0.00 178.83 179.49 3m52 h HIS 9 N -0.22 0.43 -0.27 2.96 -0.00 -1.12 -0.45 115.15 116.46 3m52 h HIS 9 Ca 0.01 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 3m52 h HIS 9 Cb 0.22 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.45 3m52 h HIS 9 CO -0.12 0.26 0.04 0.28 -0.00 0.00 0.00 177.93 178.39 3m52 h VAL 10 N 0.47 0.85 -0.25 5.26 2.07 -1.20 -1.01 116.25 122.45 3m52 h VAL 10 Ca 0.15 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3m52 h VAL 10 Cb -0.00 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3m52 h VAL 10 CO -0.06 0.03 0.13 0.25 0.02 0.00 0.00 177.57 177.93 3m52 h LEU 11 N 0.14 0.32 -1.90 2.57 5.85 -0.66 -0.62 115.31 121.01 3m52 h LEU 11 Ca 0.13 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3m52 h LEU 11 Cb 0.14 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3m52 h LEU 11 CO -0.18 0.34 0.16 -0.33 -0.34 0.00 0.00 178.44 178.08 3m52 h GLU 12 N 0.27 0.13 -0.01 1.25 5.08 -0.90 -1.14 114.58 119.26 3m52 h GLU 12 Ca 0.09 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 3m52 h GLU 12 Cb 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3m52 h GLU 12 CO -0.01 0.09 -0.91 1.96 -1.00 0.00 0.00 179.01 179.13 3m52 h GLN 13 N 0.13 0.39 -0.01 2.33 1.08 -0.58 -2.79 115.11 115.67 3m52 h GLN 13 Ca 0.10 -0.41 -0.10 0.00 -1.45 0.00 0.00 58.65 56.79 3m52 h GLN 13 Cb 0.23 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 3m52 h GLN 13 CO -0.01 1.08 -0.49 -0.07 -0.95 0.00 0.00 178.83 178.38 3m52 h LEU 14 N 0.22 0.01 -0.28 1.46 3.38 0.03 -1.67 115.31 118.46 3m52 h LEU 14 Ca -0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3m52 h LEU 14 Cb 1.54 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 3m52 h LEU 14 CO 0.16 0.51 -0.25 -1.13 0.09 0.00 0.00 178.44 177.81 3m52 h ASN 15 N 0.01 0.70 -0.83 -0.43 -1.24 -1.31 -2.42 115.58 110.06 3m52 h ASN 15 Ca -0.00 -0.46 0.02 0.00 0.71 0.00 0.00 56.30 56.56 3m52 h ASN 15 Cb 0.88 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.68 3m52 h ASN 15 CO 0.06 1.02 0.55 1.56 -1.29 0.00 0.00 177.43 179.33 3m52 h GLN 16 N 0.40 1.07 -0.55 6.67 7.50 -1.30 -1.82 115.11 127.07 3m52 h GLN 16 Ca 0.05 -0.06 0.05 0.00 0.50 0.00 0.00 58.65 59.18 3m52 h GLN 16 Cb 0.81 -0.24 -0.05 0.00 0.05 0.00 0.00 27.48 28.06 3m52 h GLN 16 CO 0.06 0.71 0.29 1.96 -1.50 0.00 0.00 178.83 180.35 3m52 h GLN 17 N 1.10 0.54 0.10 1.46 4.20 -1.29 -3.04 115.11 118.18 3m52 h GLN 17 Ca 0.32 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.00 3m52 h GLN 17 Cb -0.08 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3m52 h GLN 17 CO -0.08 0.36 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.22 3m52 h ARG 18 N 0.56 -0.24 0.00 1.46 2.43 -0.98 0.11 114.38 117.71 3m52 h ARG 18 Ca 0.24 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3m52 h ARG 18 Cb 0.14 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3m52 h ARG 18 CO -0.16 -0.16 0.00 1.04 -1.51 0.00 0.00 179.97 179.18 3m52 n GLN 19 N -5.24 0.08 -0.02 0.20 6.02 -0.73 -0.79 117.38 116.90 3m52 n GLN 19 Ca -0.07 0.26 0.02 0.00 -0.01 0.00 0.00 57.00 57.19 3m52 n GLN 19 Cb 0.16 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.95 3m52 n GLN 19 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m52 n LEU 20 N -1.34 1.64 0.00 1.08 7.94 -1.07 -4.98 117.00 120.26 3m52 n LEU 20 Ca 0.03 -1.38 0.00 0.00 -1.11 0.00 0.00 56.01 53.55 3m52 n LEU 20 Cb 0.07 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3m52 n LEU 20 CO 0.06 0.39 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 3m52 n GLY 21 N 0.02 0.24 3.65 -3.96 0.00 0.03 -4.96 105.19 100.21 3m52 n GLY 21 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3m52 n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m52 s LEU 22 N 0.00 4.12 -2.00 0.99 0.20 0.34 -3.40 118.68 118.94 3m52 s LEU 22 Ca 0.00 1.72 0.00 0.00 0.69 0.00 0.00 54.13 56.54 3m52 s LEU 22 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 3m52 s LEU 22 CO 0.00 -0.91 0.00 0.18 -0.29 0.00 0.00 176.35 175.33 3m52 n LEU 23 N 7.13 -1.53 -4.74 -0.68 4.77 -1.26 -4.44 117.00 116.25 3m52 n LEU 23 Ca 0.15 0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 56.10 3m52 n LEU 23 Cb 0.45 -2.76 -0.05 0.00 -2.33 0.00 0.00 43.42 38.73 3m52 n LEU 23 CO 0.60 -0.83 0.71 0.00 -1.33 0.00 0.00 177.39 176.53 3m52 n ASP 25 N 1.88 1.39 -3.90 0.00 5.75 -0.98 -4.94 116.55 115.75 3m52 n ASP 25 Ca -0.00 -1.75 -0.09 0.00 -0.01 0.00 0.00 54.79 52.93 3m52 n ASP 25 Cb 0.47 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 3m52 n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m52 s THR 27 N -3.88 1.80 -0.37 0.00 2.01 -1.26 -2.14 115.64 111.80 3m52 s THR 27 Ca 0.23 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 3m52 s THR 27 Cb -0.01 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3m52 s THR 27 CO 0.10 0.42 0.46 0.12 -0.69 0.00 0.00 174.62 175.03 3m52 s PHE 28 N 1.38 3.18 -0.06 4.92 5.36 0.73 -4.88 117.98 128.60 3m52 s PHE 28 Ca 0.03 -0.04 -0.23 0.00 -0.96 0.00 0.00 56.93 55.74 3m52 s PHE 28 Cb -0.14 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.62 3m52 s PHE 28 CO -0.11 -0.58 0.67 0.08 -1.46 0.00 0.00 175.22 173.83 3m52 s VAL 29 N 2.26 5.03 -0.19 3.12 1.01 -1.26 -1.93 120.40 128.44 3m52 s VAL 29 Ca 0.15 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 3m52 s VAL 29 Cb -0.16 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.27 3m52 s VAL 29 CO 0.13 0.28 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 3m52 s VAL 30 N 0.63 0.45 -1.50 2.92 1.01 0.32 -4.56 120.40 119.67 3m52 s VAL 30 Ca 0.36 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3m52 s VAL 30 Cb -0.18 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.31 3m52 s VAL 30 CO 0.18 -0.20 0.88 -0.67 0.00 0.00 0.00 175.10 175.29 3m52 n ASP 31 N 5.08 -3.70 0.00 3.32 -0.08 0.82 -1.17 116.55 120.81 3m52 n ASP 31 Ca -0.09 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.37 3m52 n ASP 31 Cb 0.47 -3.76 0.00 0.00 2.34 0.00 0.00 41.12 40.17 3m52 n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3m52 n GLY 32 N -1.66 3.09 3.74 0.27 0.00 -1.26 -5.03 105.19 104.34 3m52 n GLY 32 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3m52 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m52 s VAL 33 N -2.05 5.03 0.22 1.61 1.01 -0.31 -5.03 120.40 120.87 3m52 s VAL 33 Ca 0.00 1.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 3m52 s VAL 33 Cb 0.00 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 3m52 s VAL 33 CO 0.00 0.35 0.84 -1.00 0.00 0.00 0.00 175.10 175.29 3m52 s HIS 34 N 0.28 3.86 -0.08 5.22 3.76 -1.26 -0.53 115.29 126.54 3m52 s HIS 34 Ca 0.31 1.70 -0.03 0.00 -0.15 0.00 0.00 55.06 56.89 3m52 s HIS 34 Cb -0.17 -2.83 0.05 0.00 1.11 0.00 0.00 32.58 30.74 3m52 s HIS 34 CO 0.15 0.43 0.17 -0.06 -0.85 0.00 0.00 174.74 174.59 3m52 s PHE 35 N -1.28 -0.21 0.39 1.40 0.08 -0.81 -4.97 117.98 112.58 3m52 s PHE 35 Ca 0.40 0.62 -0.25 0.00 0.12 0.00 0.00 56.93 57.82 3m52 s PHE 35 Cb -0.22 -0.15 -0.09 0.00 -0.57 0.00 0.00 43.02 41.99 3m52 s PHE 35 CO 0.27 -0.24 1.09 0.15 -0.10 0.00 0.00 175.22 176.39 3m52 s LYS 36 N 1.83 4.16 0.17 0.44 -0.14 -1.26 -0.19 119.74 124.75 3m52 s LYS 36 Ca -0.02 1.64 -0.17 0.00 -1.36 0.00 0.00 55.97 56.05 3m52 s LYS 36 Cb -0.12 -2.63 0.03 0.00 -1.68 0.00 0.00 37.83 33.43 3m52 s LYS 36 CO -0.06 -0.18 0.48 0.00 -0.76 0.00 0.00 175.35 174.83 3m52 s ALA 37 N -1.54 -0.90 -0.37 5.17 0.00 -0.91 -4.85 121.76 118.35 3m52 s ALA 37 Ca 0.57 -0.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 3m52 s ALA 37 Cb -0.26 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.69 3m52 s ALA 37 CO 0.32 -0.75 0.64 -1.01 0.00 0.00 0.00 175.76 174.96 3m52 s HIS 38 N -3.86 3.13 0.20 0.00 0.09 -1.26 -2.31 115.29 111.28 3m52 s HIS 38 Ca 0.08 0.26 -0.13 0.00 -0.00 0.00 0.00 55.06 55.27 3m52 s HIS 38 Cb 0.00 -3.19 0.23 0.00 -0.00 0.00 0.00 32.58 29.62 3m52 s HIS 38 CO -0.06 -0.68 1.28 1.63 -0.00 0.00 0.00 174.74 176.91 3m52 n LYS 39 N 6.10 -0.17 -0.25 1.40 5.02 -1.26 -0.53 118.16 128.46 3m52 n LYS 39 Ca -0.01 1.27 0.11 0.00 -2.02 0.00 0.00 58.31 57.66 3m52 n LYS 39 Cb 0.48 -1.89 0.37 0.00 -0.02 0.00 0.00 35.03 33.98 3m52 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m52 h ALA 40 N 1.23 1.81 -0.14 7.82 0.00 -1.99 -2.09 119.26 125.91 3m52 h ALA 40 Ca 0.31 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3m52 h ALA 40 Cb 0.51 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3m52 h ALA 40 CO -0.82 -0.02 -0.78 0.28 0.00 0.00 0.00 179.25 177.91 3m52 h VAL 41 N 0.71 1.28 -0.51 0.00 2.07 -1.22 -0.40 116.25 118.17 3m52 h VAL 41 Ca 0.42 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 3m52 h VAL 41 Cb 0.63 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3m52 h VAL 41 CO -0.18 0.62 0.12 -0.07 0.02 0.00 0.00 177.57 178.08 3m52 h LEU 42 N 0.50 0.78 -1.19 2.57 3.38 -1.16 -1.55 115.31 118.64 3m52 h LEU 42 Ca -0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3m52 h LEU 42 Cb 1.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3m52 h LEU 42 CO 0.16 0.81 0.23 0.00 0.09 0.00 0.00 178.44 179.73 3m52 h ALA 43 N 0.99 1.37 0.00 1.53 0.00 -1.41 0.13 119.26 121.87 3m52 h ALA 43 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3m52 h ALA 43 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3m52 h ALA 43 CO 0.00 0.48 -0.40 0.00 0.00 0.00 0.00 179.25 179.33 3m52 h ALA 44 N 1.47 1.30 0.03 0.00 0.00 -0.61 -3.23 119.26 118.23 3m52 h ALA 44 Ca 0.19 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 3m52 h ALA 44 Cb 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3m52 h ALA 44 CO -0.02 0.51 -1.71 0.00 0.00 0.00 0.00 179.25 178.03 3m52 s SER 46 N -6.36 -0.16 0.41 0.00 0.15 -0.00 -4.49 113.70 103.25 3m52 s SER 46 Ca -0.08 0.36 0.09 0.00 0.70 0.00 0.00 55.95 57.02 3m52 s SER 46 Cb 0.08 0.26 0.87 0.00 -1.71 0.00 0.00 66.02 65.52 3m52 s SER 46 CO 0.82 -0.14 2.00 -0.08 1.20 0.00 0.00 173.24 177.04 3m52 h GLU 47 N 7.05 0.35 0.21 5.44 4.57 -1.78 -1.48 114.58 128.94 3m52 h GLU 47 Ca -0.40 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3m52 h GLU 47 Cb 1.15 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3m52 h GLU 47 CO 0.41 0.33 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.55 3m52 h TYR 48 N 0.35 -0.26 -0.33 0.92 3.20 -1.88 -0.61 116.97 118.36 3m52 h TYR 48 Ca 0.08 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3m52 h TYR 48 Cb 0.15 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3m52 h TYR 48 CO 0.00 -0.10 -0.12 0.74 -1.64 0.00 0.00 178.16 177.05 3m52 h PHE 49 N -0.37 0.60 -0.06 -3.82 0.04 -1.79 -2.13 116.94 109.42 3m52 h PHE 49 Ca -0.03 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.67 3m52 h PHE 49 Cb 0.28 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 3m52 h PHE 49 CO -0.04 0.66 -0.11 -0.22 -0.60 0.00 0.00 178.31 178.00 3m52 h LYS 50 N 0.52 -0.15 0.00 1.51 3.64 -1.10 -2.34 116.57 118.64 3m52 h LYS 50 Ca 0.09 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3m52 h LYS 50 Cb 0.51 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3m52 h LYS 50 CO 0.03 -0.10 -0.16 1.98 -2.27 0.00 0.00 179.45 178.93 3m52 h MET 51 N -0.16 0.00 -0.05 1.90 4.05 -0.81 -2.95 114.93 116.91 3m52 h MET 51 Ca 0.06 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.30 3m52 h MET 51 Cb 0.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3m52 h MET 51 CO -0.16 0.16 -0.77 1.25 0.23 0.00 0.00 176.91 177.62 3m52 h LEU 52 N 0.00 0.43 0.08 3.39 5.85 -0.85 -2.70 115.31 121.50 3m52 h LEU 52 Ca -0.00 -0.29 -0.29 0.00 0.84 0.00 0.00 57.88 58.14 3m52 h LEU 52 Cb 0.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3m52 h LEU 52 CO 0.02 1.04 -1.47 -0.26 -0.34 0.00 0.00 178.44 177.43 3m52 h PHE 53 N 0.23 0.29 0.64 1.25 0.04 -1.38 -3.12 116.94 114.89 3m52 h PHE 53 Ca -0.04 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 3m52 h PHE 53 Cb 1.35 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.49 3m52 h PHE 53 CO 0.04 1.25 -0.31 0.28 -0.60 0.00 0.00 178.31 178.97 3m52 h VAL 54 N 0.04 0.15 -1.12 -0.55 2.07 -1.58 -3.43 116.25 111.84 3m52 h VAL 54 Ca -0.21 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3m52 h VAL 54 Cb 1.97 0.21 -0.20 0.00 -1.52 0.00 0.00 31.29 31.75 3m52 h VAL 54 CO 0.14 0.02 -0.49 -0.62 0.02 0.00 0.00 177.57 176.64 3m52 s ASP 55 N -4.56 -1.20 0.30 0.57 2.15 -1.02 -5.06 116.67 107.86 3m52 s ASP 55 Ca -0.14 -1.04 -0.02 0.00 0.43 0.00 0.00 52.55 51.78 3m52 s ASP 55 Cb 0.02 1.78 0.45 0.00 -0.30 0.00 0.00 42.92 44.86 3m52 s ASP 55 CO 0.46 -0.16 1.94 0.06 -0.17 0.00 0.00 175.17 177.30 3m52 h GLN 56 N 6.69 1.01 -1.14 4.34 3.07 -1.59 -2.40 115.11 125.09 3m52 h GLN 56 Ca 0.05 -0.09 0.33 0.00 0.09 0.00 0.00 58.65 59.03 3m52 h GLN 56 Cb 1.15 -0.21 -0.05 0.00 0.08 0.00 0.00 27.48 28.45 3m52 h GLN 56 CO 0.10 0.71 0.82 -0.22 0.09 0.00 0.00 178.83 180.33 3m52 h LYS 57 N 1.02 0.02 0.00 0.06 3.64 -1.90 -2.39 116.57 117.03 3m52 h LYS 57 Ca 0.27 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3m52 h LYS 57 Cb -0.03 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3m52 h LYS 57 CO -0.05 0.01 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.60 3m52 h ASP 58 N 0.02 0.00 -1.40 4.20 5.19 -1.79 -3.47 116.42 119.17 3m52 h ASP 58 Ca 0.55 -0.03 -0.54 0.00 -0.62 0.00 0.00 57.03 56.39 3m52 h ASP 58 Cb 2.15 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.60 3m52 h ASP 58 CO -0.02 0.01 -0.42 0.54 -3.12 0.00 0.00 179.24 176.24 3m52 s VAL 59 N -3.12 2.35 0.21 -1.35 0.11 -0.90 -5.07 120.40 112.62 3m52 s VAL 59 Ca 0.10 -1.51 -0.32 0.00 -2.93 0.00 0.00 61.98 57.31 3m52 s VAL 59 Cb 0.12 -2.87 -0.12 0.00 -1.53 0.00 0.00 36.38 31.98 3m52 s VAL 59 CO 0.62 0.00 1.68 0.55 -3.33 0.00 0.00 175.10 174.63 3m52 n VAL 60 N -1.45 0.09 -2.79 2.04 3.14 -1.26 -4.91 118.33 113.19 3m52 n VAL 60 Ca 0.01 -0.02 -0.43 0.00 -2.96 0.00 0.00 64.34 60.93 3m52 n VAL 60 Cb 0.63 -1.89 -0.00 0.00 -1.06 0.00 0.00 33.84 31.52 3m52 n VAL 60 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3m52 s HIS 61 N 1.01 3.17 -0.22 1.45 0.09 -1.26 -4.94 115.29 114.60 3m52 s HIS 61 Ca 0.75 -1.86 0.02 0.00 -0.00 0.00 0.00 55.06 53.97 3m52 s HIS 61 Cb -0.54 -4.50 0.04 0.00 -0.00 0.00 0.00 32.58 27.58 3m52 s HIS 61 CO 0.35 -1.58 -0.15 -1.17 -0.00 0.00 0.00 174.74 172.19 3m52 s LEU 62 N 2.77 2.71 -0.71 0.89 0.20 -1.26 -5.07 118.68 118.20 3m52 s LEU 62 Ca 0.47 -1.00 -0.27 0.00 0.69 0.00 0.00 54.13 54.01 3m52 s LEU 62 Cb -0.00 -1.47 0.03 0.00 -0.43 0.00 0.00 46.19 44.32 3m52 s LEU 62 CO 0.02 -0.10 1.25 -0.62 -0.29 0.00 0.00 176.35 176.61 3m52 s ASP 63 N 1.23 6.20 0.00 3.68 2.15 -1.26 -4.85 116.67 123.82 3m52 s ASP 63 Ca -0.02 -0.39 0.26 0.00 0.43 0.00 0.00 52.55 52.84 3m52 s ASP 63 Cb -0.16 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 40.81 3m52 s ASP 63 CO -0.09 -1.77 1.66 2.30 -0.17 0.00 0.00 175.17 177.10 3m52 n ILE 64 N 6.40 0.05 -0.33 4.11 -5.35 -1.26 -4.45 119.36 118.53 3m52 n ILE 64 Ca 0.04 -0.30 0.32 0.00 -0.27 0.00 0.00 62.75 62.54 3m52 n ILE 64 Cb 0.49 0.57 0.59 0.00 -1.74 0.00 0.00 39.64 39.55 3m52 n ILE 64 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3m52 n SER 65 N 0.33 0.32 -1.14 7.28 2.88 -1.26 -0.34 113.62 121.69 3m52 n SER 65 Ca 0.18 1.58 0.10 0.00 -1.33 0.00 0.00 58.87 59.40 3m52 n SER 65 Cb 0.38 -0.77 0.27 0.00 -0.75 0.00 0.00 64.21 63.33 3m52 n SER 65 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3m52 n ASN 66 N -5.13 3.31 -4.75 -3.46 3.02 -1.26 -0.13 115.26 106.86 3m52 n ASN 66 Ca 0.38 -2.02 -0.42 0.00 -0.03 0.00 0.00 54.58 52.49 3m52 n ASN 66 Cb 1.30 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 40.04 3m52 n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m52 s ALA 67 N -1.22 3.74 0.06 5.41 0.00 0.53 -4.96 121.76 125.33 3m52 s ALA 67 Ca 0.41 1.53 -0.31 0.00 0.00 0.00 0.00 51.96 53.59 3m52 s ALA 67 Cb 0.22 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3m52 s ALA 67 CO 0.27 -0.94 1.46 0.00 0.00 0.00 0.00 175.76 176.56 3m52 s ALA 68 N 0.09 3.62 0.00 0.00 0.00 -1.26 -2.97 121.76 121.24 3m52 s ALA 68 Ca 0.64 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3m52 s ALA 68 Cb -0.47 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.05 3m52 s ALA 68 CO 0.46 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3m52 n GLY 69 N 3.68 0.78 0.34 0.00 0.00 -1.26 -4.16 105.19 104.58 3m52 n GLY 69 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3m52 n GLY 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m52 h LEU 70 N 0.00 1.10 -1.52 0.99 5.85 -1.87 -2.30 115.31 117.56 3m52 h LEU 70 Ca 0.00 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.70 3m52 h LEU 70 Cb 0.00 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3m52 h LEU 70 CO 0.00 0.96 0.51 1.23 -0.34 0.00 0.00 178.44 180.79 3m52 h GLY 71 N 1.18 0.80 2.00 3.75 0.00 -1.93 0.02 103.07 108.89 3m52 h GLY 71 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 3m52 h GLY 71 CO -0.03 0.08 -0.57 1.46 0.00 0.00 0.00 176.54 177.48 3m52 h GLN 72 N 0.49 0.00 -0.07 4.80 7.50 -1.80 -3.27 115.11 122.75 3m52 h GLN 72 Ca 0.37 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 59.27 3m52 h GLN 72 Cb 0.76 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.31 3m52 h GLN 72 CO -0.13 0.57 -0.92 0.28 -1.50 0.00 0.00 178.83 177.13 3m52 h VAL 73 N 0.00 1.28 -0.37 -0.54 2.07 -0.82 -2.39 116.25 115.47 3m52 h VAL 73 Ca -0.01 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 3m52 h VAL 73 Cb 1.03 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 3m52 h VAL 73 CO 0.07 0.66 0.14 0.25 0.02 0.00 0.00 177.57 178.72 3m52 h LEU 74 N 0.46 0.53 -0.63 2.57 5.85 -1.57 -2.51 115.31 120.01 3m52 h LEU 74 Ca -0.10 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3m52 h LEU 74 Cb 1.56 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3m52 h LEU 74 CO 0.18 0.57 0.38 -0.33 -0.34 0.00 0.00 178.44 178.90 3m52 h GLU 75 N 0.46 0.71 -0.24 1.25 4.39 -1.60 -2.84 114.58 116.70 3m52 h GLU 75 Ca 0.12 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3m52 h GLU 75 Cb 0.21 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3m52 h GLU 75 CO -0.01 0.47 0.05 0.35 -1.16 0.00 0.00 179.01 178.71 3m52 h PHE 76 N 0.73 0.08 -0.93 4.33 3.04 -1.28 -1.66 116.94 121.25 3m52 h PHE 76 Ca 0.26 0.01 0.27 0.00 3.98 0.00 0.00 57.97 62.49 3m52 h PHE 76 Cb 0.06 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.43 3m52 h PHE 76 CO -0.06 0.02 0.36 0.52 -2.02 0.00 0.00 178.31 177.13 3m52 h MET 77 N 0.14 0.25 0.00 1.11 2.86 -1.19 0.68 114.93 118.77 3m52 h MET 77 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3m52 h MET 77 Cb 0.11 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3m52 h MET 77 CO -0.15 0.17 -1.36 0.66 1.06 0.00 0.00 176.91 177.28 3m52 n TYR 78 N -5.16 0.04 -0.01 -0.22 4.01 -1.11 -4.57 117.16 110.14 3m52 n TYR 78 Ca 0.25 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 3m52 n TYR 78 Cb 0.79 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 39.55 3m52 n TYR 78 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3m52 n THR 79 N -1.84 0.08 -1.55 -0.72 -2.24 -0.64 -4.52 114.28 102.86 3m52 n THR 79 Ca 0.01 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 3m52 n THR 79 Cb 0.43 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 3m52 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m52 n ALA 80 N -1.82 -0.27 -3.16 6.98 0.00 0.23 -5.00 120.51 117.47 3m52 n ALA 80 Ca -0.02 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 3m52 n ALA 80 Cb 0.30 -1.72 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 3m52 n ALA 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3m52 s LYS 81 N -3.51 3.41 -0.13 0.00 -0.14 -1.26 -5.04 119.74 113.07 3m52 s LYS 81 Ca 0.00 -0.66 -0.02 0.00 -1.36 0.00 0.00 55.97 53.93 3m52 s LYS 81 Cb 0.00 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.40 3m52 s LYS 81 CO 0.00 0.14 -0.07 -1.17 -0.76 0.00 0.00 175.35 173.49 3m52 s LEU 82 N 0.56 3.09 -0.94 3.17 2.96 -1.26 -3.79 118.68 122.46 3m52 s LEU 82 Ca -0.07 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 3m52 s LEU 82 Cb -0.15 -1.71 0.24 0.00 0.50 0.00 0.00 46.19 45.06 3m52 s LEU 82 CO 0.03 0.22 0.88 -0.44 -1.32 0.00 0.00 176.35 175.72 3m52 s SER 83 N 0.05 6.63 0.16 3.68 0.01 -1.26 -5.04 113.70 117.93 3m52 s SER 83 Ca -0.02 -3.35 -0.04 0.00 1.31 0.00 0.00 55.95 53.86 3m52 s SER 83 Cb -0.14 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 3m52 s SER 83 CO 0.03 -0.33 0.39 -0.76 0.41 0.00 0.00 173.24 172.98 3m52 s LEU 84 N -0.84 4.25 0.07 2.44 1.43 -1.26 -4.99 118.68 119.78 3m52 s LEU 84 Ca 0.25 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.82 3m52 s LEU 84 Cb -0.10 -3.29 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 3m52 s LEU 84 CO -0.09 0.02 0.19 -0.94 0.23 0.00 0.00 176.35 175.75 3m52 s SER 85 N -2.64 0.10 0.47 2.29 1.04 -1.26 -5.01 113.70 108.69 3m52 s SER 85 Ca 0.41 -0.56 0.24 0.00 0.48 0.00 0.00 55.95 56.51 3m52 s SER 85 Cb -0.12 0.32 1.26 0.00 0.10 0.00 0.00 66.02 67.58 3m52 s SER 85 CO 0.26 -0.67 1.86 -0.65 0.98 0.00 0.00 173.24 175.02 3m52 h PRO 86 N 3.00 0.22 -0.05 4.02 0.11 -2.02 0.15 132.00 137.43 3m52 h PRO 86 Ca -0.33 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.61 3m52 h PRO 86 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3m52 h PRO 86 CO 0.54 0.15 -0.66 1.05 -0.21 0.00 0.00 178.00 178.86 3m52 h GLU 87 N 0.23 0.22 -0.02 1.05 4.11 -2.02 -3.37 114.58 114.78 3m52 h GLU 87 Ca 0.47 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.73 3m52 h GLU 87 Cb 1.46 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.74 3m52 h GLU 87 CO -0.12 0.80 -0.19 0.27 0.07 0.00 0.00 179.01 179.85 3m52 n ASN 88 N -3.82 2.07 -0.14 3.06 6.94 -0.01 -4.68 115.26 118.68 3m52 n ASN 88 Ca -0.03 -1.54 -0.05 0.00 -0.02 0.00 0.00 54.58 52.95 3m52 n ASN 88 Cb 0.66 0.25 0.04 0.00 -2.36 0.00 0.00 39.78 38.36 3m52 n ASN 88 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3m52 h VAL 89 N 2.67 0.92 -0.42 3.53 2.07 -1.60 -1.88 116.25 121.54 3m52 h VAL 89 Ca 0.00 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3m52 h VAL 89 Cb 0.66 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3m52 h VAL 89 CO 0.00 0.07 -0.03 0.44 0.02 0.00 0.00 177.57 178.07 3m52 h ASP 90 N 0.38 0.76 -0.22 0.57 3.32 -1.87 -1.12 116.42 118.24 3m52 h ASP 90 Ca 0.20 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3m52 h ASP 90 Cb 0.15 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3m52 h ASP 90 CO -0.17 0.90 0.10 0.44 -1.72 0.00 0.00 179.24 178.79 3m52 h ASP 91 N 0.60 0.28 -0.66 6.45 3.32 -1.82 0.37 116.42 124.96 3m52 h ASP 91 Ca 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3m52 h ASP 91 Cb 0.53 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3m52 h ASP 91 CO 0.03 0.33 0.43 0.58 -1.72 0.00 0.00 179.24 178.89 3m52 h VAL 92 N 0.22 1.18 -0.14 -1.35 2.07 -1.31 -2.55 116.25 114.36 3m52 h VAL 92 Ca 0.07 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3m52 h VAL 92 Cb 0.12 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3m52 h VAL 92 CO -0.01 0.18 0.08 0.25 0.02 0.00 0.00 177.57 178.08 3m52 h LEU 93 N 0.90 0.17 -0.51 2.57 6.46 -0.85 -1.80 115.31 122.24 3m52 h LEU 93 Ca 0.24 -0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 3m52 h LEU 93 Cb -0.08 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 3m52 h LEU 93 CO -0.05 0.18 0.23 0.00 -0.62 0.00 0.00 178.44 178.18 3m52 h ALA 94 N 0.99 0.65 0.00 1.25 0.00 -0.75 0.05 119.26 121.45 3m52 h ALA 94 Ca 0.05 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3m52 h ALA 94 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3m52 h ALA 94 CO -0.01 -0.14 -0.81 -0.24 0.00 0.00 0.00 179.25 178.06 3m52 h VAL 95 N 0.45 1.55 -0.04 0.00 3.04 -1.37 -2.07 116.25 117.81 3m52 h VAL 95 Ca 0.24 -2.79 -0.19 0.00 -1.01 0.00 0.00 66.70 62.94 3m52 h VAL 95 Cb 0.19 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.99 3m52 h VAL 95 CO -0.20 0.79 -0.79 0.00 -1.01 0.00 0.00 177.57 176.36 3m52 h ALA 96 N 1.19 0.57 -0.57 3.17 0.00 -0.94 0.71 119.26 123.39 3m52 h ALA 96 Ca -0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3m52 h ALA 96 Cb 1.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3m52 h ALA 96 CO 0.10 0.81 0.28 1.15 0.00 0.00 0.00 179.25 181.60 3m52 h THR 97 N 0.20 1.20 -0.80 0.00 2.02 -0.88 0.49 112.91 115.15 3m52 h THR 97 Ca -0.04 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 3m52 h THR 97 Cb 1.38 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 3m52 h THR 97 CO 0.13 0.23 0.35 0.15 0.37 0.00 0.00 175.52 176.75 3m52 h PHE 98 N 0.78 1.18 0.00 3.16 3.57 -1.22 -2.90 116.94 121.51 3m52 h PHE 98 Ca 0.20 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3m52 h PHE 98 Cb 0.11 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3m52 h PHE 98 CO -0.00 0.87 0.00 1.28 -2.23 0.00 0.00 178.31 178.23 3m52 n LEU 99 N -4.32 0.47 -3.06 0.59 4.77 0.23 -4.82 117.00 110.86 3m52 n LEU 99 Ca 0.07 0.56 -0.18 0.00 -0.03 0.00 0.00 56.01 56.43 3m52 n LEU 99 Cb 0.16 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.90 3m52 n LEU 99 CO 0.40 -0.17 0.16 0.00 -1.33 0.00 0.00 177.39 176.45 3m52 n GLN 100 N -1.95 -6.22 -3.40 3.23 6.02 0.16 -3.49 117.38 111.73 3m52 n GLN 100 Ca 0.05 0.70 -0.44 0.00 -0.01 0.00 0.00 57.00 57.30 3m52 n GLN 100 Cb 0.36 -5.32 -0.07 0.00 1.02 0.00 0.00 30.24 26.23 3m52 n GLN 100 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3m52 s MET 101 N -5.71 2.84 0.18 -1.09 -1.94 -0.50 -4.55 119.30 108.53 3m52 s MET 101 Ca 0.29 -1.63 -0.06 0.00 -1.71 0.00 0.00 55.69 52.59 3m52 s MET 101 Cb -0.13 -4.14 0.09 0.00 2.01 0.00 0.00 34.83 32.66 3m52 s MET 101 CO 0.61 -1.21 1.53 0.37 -0.01 0.00 0.00 175.02 176.31 3m52 h GLN 102 N 8.72 0.73 -0.83 2.03 5.75 -1.87 -2.43 115.11 127.21 3m52 h GLN 102 Ca -0.27 -0.39 0.09 0.00 -0.15 0.00 0.00 58.65 57.94 3m52 h GLN 102 Cb 1.09 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 3m52 h GLN 102 CO 0.94 1.01 0.48 -0.44 -2.65 0.00 0.00 178.83 178.17 3m52 h ASP 103 N 0.60 0.69 -0.08 -0.69 3.32 -1.97 -1.30 116.42 116.99 3m52 h ASP 103 Ca 0.05 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 3m52 h ASP 103 Cb 0.96 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.43 3m52 h ASP 103 CO 0.09 0.40 -0.57 0.40 -1.72 0.00 0.00 179.24 177.84 3m52 h ILE 104 N 0.81 1.37 -0.38 0.35 2.04 -1.95 -2.11 117.51 117.64 3m52 h ILE 104 Ca 0.40 -1.91 0.07 0.00 1.00 0.00 0.00 64.86 64.42 3m52 h ILE 104 Cb 0.36 2.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.63 3m52 h ILE 104 CO -0.24 0.57 -0.40 0.40 0.00 0.00 0.00 178.15 178.48 3m52 h ILE 105 N 0.11 0.15 0.00 -0.67 2.04 -1.08 0.60 117.51 118.65 3m52 h ILE 105 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3m52 h ILE 105 Cb 1.22 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3m52 h ILE 105 CO 0.12 0.00 -0.32 0.71 0.00 0.00 0.00 178.15 178.65 3m52 h THR 106 N -0.32 0.67 -0.05 -0.27 1.35 -1.31 -0.56 112.91 112.41 3m52 h THR 106 Ca 0.14 -1.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3m52 h THR 106 Cb 0.57 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3m52 h THR 106 CO -0.55 0.32 -0.02 0.00 -0.25 0.00 0.00 175.52 175.02 3m52 h ALA 107 N 1.68 0.07 -0.42 6.62 0.00 -0.82 -0.19 119.26 126.19 3m52 h ALA 107 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3m52 h ALA 107 Cb 0.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3m52 h ALA 107 CO 0.04 -0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.22 3m52 h HIS 109 N 0.54 1.07 -0.43 0.00 3.86 -1.14 0.12 115.15 119.18 3m52 h HIS 109 Ca 0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3m52 h HIS 109 Cb 0.25 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3m52 h HIS 109 CO 0.01 0.64 0.28 0.00 0.86 0.00 0.00 177.93 179.71 3m52 h ALA 110 N 1.35 0.54 -0.28 2.45 0.00 -0.70 -1.20 119.26 121.42 3m52 h ALA 110 Ca 0.34 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 3m52 h ALA 110 Cb -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3m52 h ALA 110 CO -0.10 0.00 -0.49 -0.07 0.00 0.00 0.00 179.25 178.59 3m52 h LEU 111 N 0.58 0.84 -0.47 0.00 -0.00 -0.90 -2.96 115.31 112.39 3m52 h LEU 111 Ca 0.16 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 3m52 h LEU 111 Cb -0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.34 3m52 h LEU 111 CO -0.03 1.18 0.21 0.11 -0.00 0.00 0.00 178.44 179.90 3m52 h LYS 112 N 0.60 0.69 -0.75 1.13 1.57 -0.62 -2.77 116.57 116.41 3m52 h LYS 112 Ca 0.03 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3m52 h LYS 112 Cb 1.06 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 3m52 h LYS 112 CO 0.10 0.60 0.49 0.77 -0.57 0.00 0.00 179.45 180.85 3m52 h SER 113 N 0.61 0.63 0.88 0.86 0.02 -1.20 -2.04 113.55 113.31 3m52 h SER 113 Ca 0.16 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3m52 h SER 113 Cb 0.16 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3m52 h SER 113 CO -0.02 0.38 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.58 3m52 h LEU 114 N 0.70 0.00 -1.52 5.07 3.38 -1.33 -3.52 115.31 118.10 3m52 h LEU 114 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3m52 h LEU 114 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3m52 h LEU 114 CO -0.12 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.81