#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 n HIS 2 N 0.00 1.89 -3.92 2.03 1.44 -1.23 -4.89 115.22 110.54 1t17 n HIS 2 Ca 0.00 0.47 -0.28 0.00 -2.01 0.00 0.00 57.72 55.90 1t17 n HIS 2 Cb 0.00 -2.43 -0.17 0.00 0.12 0.00 0.00 29.99 27.52 1t17 n HIS 2 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1t17 s ARG 3 N 0.38 1.62 -0.19 -1.40 3.52 -1.26 -2.82 118.95 118.80 1t17 s ARG 3 Ca 0.78 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.89 1t17 s ARG 3 Cb -0.78 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1t17 s ARG 3 CO 0.45 -0.33 0.06 -1.01 -0.81 0.00 0.00 175.30 173.65 1t17 s HIS 4 N 1.64 3.21 0.00 5.12 3.76 -0.36 -5.01 115.29 123.65 1t17 s HIS 4 Ca 0.03 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1t17 s HIS 4 Cb -0.14 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 1t17 s HIS 4 CO -0.08 0.06 -0.08 0.54 -0.85 0.00 0.00 174.74 174.33 1t17 s VAL 5 N 0.58 3.54 -0.03 -0.90 0.11 -1.26 -1.41 120.40 121.02 1t17 s VAL 5 Ca 0.03 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 1t17 s VAL 5 Cb -0.13 -2.52 0.01 0.00 -1.53 0.00 0.00 36.38 32.21 1t17 s VAL 5 CO 0.01 0.41 0.08 -0.69 -3.33 0.00 0.00 175.10 171.58 1t17 s VAL 6 N -0.97 -0.00 -0.06 2.04 1.01 -0.22 -5.02 120.40 117.19 1t17 s VAL 6 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1t17 s VAL 6 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1t17 s VAL 6 CO 0.07 0.00 -0.15 -0.89 0.00 0.00 0.00 175.10 174.13 1t17 s THR 7 N 0.11 1.35 0.05 3.92 2.01 -1.26 -0.56 115.64 121.26 1t17 s THR 7 Ca -0.01 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1t17 s THR 7 Cb -0.01 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1t17 s THR 7 CO -0.00 0.40 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.51 1t17 s LYS 8 N 0.38 0.55 -0.04 4.92 2.20 -0.54 -5.03 119.74 122.18 1t17 s LYS 8 Ca -0.11 -0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 54.64 1t17 s LYS 8 Cb -0.14 -0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.00 1t17 s LYS 8 CO 0.04 0.02 0.03 0.54 -0.36 0.00 0.00 175.35 175.62 1t17 s VAL 9 N -1.87 0.07 -0.16 4.02 0.11 -1.26 -0.58 120.40 120.72 1t17 s VAL 9 Ca -0.06 0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1t17 s VAL 9 Cb -0.07 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1t17 s VAL 9 CO -0.01 0.18 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.02 1t17 s LEU 10 N 1.79 1.90 -1.21 2.54 1.43 -0.73 -4.96 118.68 119.44 1t17 s LEU 10 Ca 0.01 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1t17 s LEU 10 Cb -0.12 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 1t17 s LEU 10 CO -0.03 -0.04 2.48 -0.81 0.23 0.00 0.00 176.35 178.18 1t17 n PRO 11 N 4.71 2.77 -4.32 1.29 -0.04 -1.26 -1.50 135.00 136.65 1t17 n PRO 11 Ca -0.18 -1.77 -0.18 0.00 -0.04 0.00 0.00 63.50 61.33 1t17 n PRO 11 Cb 0.50 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.27 1t17 n PRO 11 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1t17 s TYR 12 N 2.86 1.57 0.88 0.54 2.02 -1.26 -4.88 117.35 119.08 1t17 s TYR 12 Ca 0.53 -1.37 -0.10 0.00 -0.37 0.00 0.00 57.07 55.75 1t17 s TYR 12 Cb 0.14 -0.83 0.12 0.00 -0.40 0.00 0.00 41.96 40.99 1t17 s TYR 12 CO -0.04 -0.53 1.12 0.95 -1.57 0.00 0.00 175.55 175.48 1t17 s THR 13 N -3.66 2.49 -1.85 -0.71 -4.23 -1.26 -4.27 115.64 102.14 1t17 s THR 13 Ca 0.36 0.16 0.24 0.00 -1.18 0.00 0.00 61.69 61.27 1t17 s THR 13 Cb 0.05 -2.35 0.61 0.00 1.34 0.00 0.00 72.50 72.15 1t17 s THR 13 CO 0.17 -0.21 1.79 -0.81 -0.54 0.00 0.00 174.62 175.02 1t17 n PRO 14 N -4.02 0.64 -0.09 3.99 -0.04 -1.26 -3.11 135.00 131.10 1t17 n PRO 14 Ca 0.10 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1t17 n PRO 14 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1t17 n PRO 14 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1t17 h ASP 15 N 0.00 0.51 -0.70 3.54 1.82 -2.02 -2.50 116.42 117.08 1t17 h ASP 15 Ca 0.00 -0.35 0.20 0.00 -0.39 0.00 0.00 57.03 56.49 1t17 h ASP 15 Cb 0.06 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1t17 h ASP 15 CO 0.00 0.75 0.53 1.56 -1.61 0.00 0.00 179.24 180.47 1t17 h GLN 16 N 0.27 0.00 -0.53 0.28 7.50 -1.92 0.42 115.11 121.13 1t17 h GLN 16 Ca 0.07 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.12 1t17 h GLN 16 Cb 0.52 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 1t17 h GLN 16 CO 0.02 0.00 -0.05 -0.07 -1.50 0.00 0.00 178.83 177.23 1t17 h LEU 17 N 0.00 0.96 -1.37 1.46 3.38 -1.65 -2.70 115.31 115.40 1t17 h LEU 17 Ca 0.33 -0.33 0.35 0.00 0.09 0.00 0.00 57.88 58.32 1t17 h LEU 17 Cb 1.39 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 1t17 h LEU 17 CO -0.00 1.06 0.74 0.15 0.09 0.00 0.00 178.44 180.49 1t17 h PHE 18 N 0.84 0.60 0.01 1.13 3.04 -0.10 1.60 116.94 124.06 1t17 h PHE 18 Ca 0.14 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.93 1t17 h PHE 18 Cb 0.60 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1t17 h PHE 18 CO 0.04 -0.08 -0.89 0.93 -2.02 0.00 0.00 178.31 176.29 1t17 h GLU 19 N 0.24 0.03 -0.21 1.11 5.08 -1.51 -3.07 114.58 116.25 1t17 h GLU 19 Ca 0.70 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.81 1t17 h GLU 19 Cb 2.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1t17 h GLU 19 CO -0.37 0.90 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.81 1t17 h LEU 20 N 0.02 0.93 -1.93 1.33 3.38 0.21 -1.64 115.31 117.61 1t17 h LEU 20 Ca -0.02 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.39 1t17 h LEU 20 Cb 1.57 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1t17 h LEU 20 CO 0.12 1.35 0.01 0.58 0.09 0.00 0.00 178.44 180.60 1t17 h VAL 21 N 0.59 1.02 -0.50 1.22 2.07 0.01 -0.15 116.25 120.51 1t17 h VAL 21 Ca -0.02 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 1t17 h VAL 21 Cb 1.28 0.98 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 1t17 h VAL 21 CO 0.14 0.02 0.12 0.61 0.02 0.00 0.00 177.57 178.48 1t17 n GLY 22 N -1.49 4.21 0.01 2.17 0.00 -1.09 -4.52 105.19 104.48 1t17 n GLY 22 Ca -0.02 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.94 1t17 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t17 n ASP 23 N -0.63 0.04 0.15 1.61 2.03 -0.07 0.24 116.55 119.91 1t17 n ASP 23 Ca 0.34 0.51 0.13 0.00 0.52 0.00 0.00 54.79 56.29 1t17 n ASP 23 Cb 1.16 -0.52 0.37 0.00 -0.72 0.00 0.00 41.12 41.41 1t17 n ASP 23 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1t17 h VAL 24 N 0.00 0.00 0.00 5.18 -1.51 -1.80 -3.32 116.25 114.80 1t17 h VAL 24 Ca 0.00 -0.59 -0.02 0.00 -1.23 0.00 0.00 66.70 64.87 1t17 h VAL 24 Cb 0.12 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 1t17 h VAL 24 CO 0.00 0.00 -0.27 -0.67 -1.23 0.00 0.00 177.57 175.40 1t17 n ASP 25 N -2.53 -0.01 0.00 4.19 2.03 0.49 -4.06 116.55 116.65 1t17 n ASP 25 Ca 0.04 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.84 1t17 n ASP 25 Cb 0.42 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 26 N 0.03 0.00 -2.68 -1.67 0.00 0.65 -5.03 120.51 111.81 1t17 n ALA 26 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1t17 n ALA 26 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1t17 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1t17 n TYR 27 N 0.00 -0.79 0.90 0.00 4.11 -1.26 -4.78 117.16 115.35 1t17 n TYR 27 Ca 0.00 0.33 0.11 0.00 -0.00 0.00 0.00 57.90 58.34 1t17 n TYR 27 Cb 0.00 -0.97 0.52 0.00 -0.00 0.00 0.00 39.34 38.88 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1t17 n PRO 28 N 0.62 0.15 -3.47 -3.48 -0.04 -1.26 -4.77 135.00 122.76 1t17 n PRO 28 Ca -0.03 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 1t17 n PRO 28 Cb 0.43 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1t17 n PRO 28 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1t17 s LYS 29 N -2.80 2.85 0.73 0.54 1.02 -1.26 -5.08 119.74 115.75 1t17 s LYS 29 Ca 0.16 -1.23 -0.16 0.00 0.02 0.00 0.00 55.97 54.76 1t17 s LYS 29 Cb 0.15 -2.64 0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1t17 s LYS 29 CO 0.37 -0.05 1.10 1.97 -0.92 0.00 0.00 175.35 177.83 1t17 n PHE 30 N -1.60 1.10 -3.53 3.18 -1.74 -1.26 -5.00 117.46 108.61 1t17 n PHE 30 Ca 0.02 0.40 -0.28 0.00 -0.56 0.00 0.00 57.45 57.03 1t17 n PHE 30 Cb 0.59 -2.13 -0.12 0.00 1.52 0.00 0.00 39.48 39.35 1t17 n PHE 30 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1t17 s VAL 31 N -1.82 0.71 0.12 1.97 -7.23 -1.26 -4.96 120.40 107.93 1t17 s VAL 31 Ca 0.75 -2.39 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1t17 s VAL 31 Cb -0.34 -1.50 -0.18 0.00 0.56 0.00 0.00 36.38 34.93 1t17 s VAL 31 CO 0.48 -1.04 1.30 1.55 -0.31 0.00 0.00 175.10 177.08 1t17 h PRO 32 N 6.41 0.56 -0.01 4.82 0.13 -1.95 -2.90 132.00 139.05 1t17 h PRO 32 Ca 0.11 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1t17 h PRO 32 Cb 0.93 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1t17 h PRO 32 CO 0.38 1.17 0.30 0.11 -0.23 0.00 0.00 178.00 179.73 1t17 h TRP 33 N 0.34 0.00 -4.67 1.56 0.09 -1.93 -3.40 115.95 107.95 1t17 h TRP 33 Ca -0.08 0.00 -0.49 0.00 0.09 0.00 0.00 58.89 58.42 1t17 h TRP 33 Cb 1.53 0.00 -0.11 0.00 0.08 0.00 0.00 29.16 30.66 1t17 h TRP 33 CO 0.07 0.00 -0.41 1.51 0.09 0.00 0.00 178.44 179.70 1t17 n ILE 34 N -2.94 0.00 0.00 0.12 3.06 -1.10 -4.76 119.36 113.74 1t17 n ILE 34 Ca -0.02 -2.09 0.00 0.00 -2.50 0.00 0.00 62.75 58.14 1t17 n ILE 34 Cb 0.35 0.77 0.00 0.00 0.54 0.00 0.00 39.64 41.30 1t17 n ILE 34 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1t17 n THR 35 N -0.80 0.00 -4.01 9.51 5.66 -1.25 -4.68 114.28 118.71 1t17 n THR 35 Ca -0.05 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.65 1t17 n THR 35 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1t17 n THR 35 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1t17 s GLY 36 N -0.98 2.06 -0.02 1.09 0.00 -1.26 -4.97 107.32 103.25 1t17 s GLY 36 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 1t17 s GLY 36 CO 0.00 -0.95 0.55 -0.29 0.00 0.00 0.00 173.10 172.41 1t17 s MET 37 N -2.43 0.96 -0.28 2.90 0.00 -1.25 -0.62 119.30 118.57 1t17 s MET 37 Ca 0.31 0.04 -0.20 0.00 0.00 0.00 0.00 55.69 55.84 1t17 s MET 37 Cb -0.12 0.44 0.13 0.00 0.00 0.00 0.00 34.83 35.27 1t17 s MET 37 CO 0.24 -0.30 0.97 0.50 0.00 0.00 0.00 175.02 176.42 1t17 s ARG 38 N -1.49 0.48 -0.06 4.11 3.52 -0.57 -4.99 118.95 119.96 1t17 s ARG 38 Ca -0.10 0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1t17 s ARG 38 Cb -0.01 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1t17 s ARG 38 CO 0.06 -0.08 -0.01 0.95 -0.81 0.00 0.00 175.30 175.41 1t17 s THR 39 N 0.84 0.42 0.00 4.11 -4.23 -1.26 -0.29 115.64 115.23 1t17 s THR 39 Ca -0.03 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1t17 s THR 39 Cb -0.04 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.27 1t17 s THR 39 CO -0.11 0.24 0.00 -2.67 -0.54 0.00 0.00 174.62 171.54 1t17 n TRP 40 N 4.72 0.00 -2.46 3.99 2.14 -0.98 -4.96 117.44 119.90 1t17 n TRP 40 Ca -0.14 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.41 1t17 n TRP 40 Cb 0.50 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.99 1t17 n TRP 40 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1t17 n ASN 41 N 0.00 -4.70 0.00 -0.67 2.85 -1.26 -2.05 115.26 109.42 1t17 n ASN 41 Ca 0.00 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 1t17 n ASN 41 Cb 0.00 -4.53 0.00 0.00 1.24 0.00 0.00 39.78 36.49 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t17 n GLY 42 N 0.86 1.66 3.14 8.20 0.00 -1.26 -2.25 105.19 115.54 1t17 n GLY 42 Ca -0.12 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1t17 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t17 s ARG 43 N 2.42 0.73 -0.14 1.61 1.70 0.54 -4.97 118.95 120.84 1t17 s ARG 43 Ca 0.00 -0.93 0.01 0.00 -0.47 0.00 0.00 55.73 54.34 1t17 s ARG 43 Cb 0.00 -0.61 0.02 0.00 -0.57 0.00 0.00 34.95 33.79 1t17 s ARG 43 CO 0.00 0.12 -0.15 0.54 -1.08 0.00 0.00 175.30 174.73 1t17 s VAL 44 N -1.51 1.59 -0.08 4.99 0.11 -1.26 -0.91 120.40 123.32 1t17 s VAL 44 Ca -0.03 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1t17 s VAL 44 Cb -0.09 -1.47 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 1t17 s VAL 44 CO 0.01 0.46 -0.12 -0.62 -3.33 0.00 0.00 175.10 171.50 1t17 s ASP 45 N 1.30 1.90 0.78 3.54 -1.08 0.15 -5.00 116.67 118.27 1t17 s ASP 45 Ca 0.01 -0.31 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1t17 s ASP 45 Cb -0.14 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.47 1t17 s ASP 45 CO -0.08 0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.24 1t17 n GLY 46 N 3.99 2.98 2.15 2.66 0.00 -1.26 0.39 105.19 116.10 1t17 n GLY 46 Ca -0.21 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1t17 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t17 n ALA 47 N 9.62 5.72 -2.86 4.61 0.00 -1.26 -4.88 120.51 131.47 1t17 n ALA 47 Ca 0.00 -2.77 -0.13 0.00 0.00 0.00 0.00 53.44 50.54 1t17 n ALA 47 Cb 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 1t17 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t17 s VAL 48 N -3.68 0.45 -0.16 0.00 1.01 0.16 -0.48 120.40 117.71 1t17 s VAL 48 Ca 0.52 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1t17 s VAL 48 Cb 0.42 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 36.38 1t17 s VAL 48 CO 0.02 -0.29 0.26 -0.44 0.00 0.00 0.00 175.10 174.65 1t17 s SER 49 N -1.24 0.62 -0.08 3.32 0.01 0.10 -0.67 113.70 115.76 1t17 s SER 49 Ca -0.08 0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.55 1t17 s SER 49 Cb -0.08 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.77 1t17 s SER 49 CO 0.00 -0.27 -0.17 -0.89 0.41 0.00 0.00 173.24 172.33 1t17 s THR 50 N 2.40 2.77 0.27 1.44 2.01 -0.09 0.12 115.64 124.56 1t17 s THR 50 Ca 0.04 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1t17 s THR 50 Cb -0.13 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1t17 s THR 50 CO -0.10 0.56 0.50 0.68 -0.69 0.00 0.00 174.62 175.57 1t17 s VAL 51 N -0.15 0.00 0.26 3.82 -7.23 -0.39 -0.34 120.40 116.37 1t17 s VAL 51 Ca -0.02 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 1t17 s VAL 51 Cb -0.14 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 1t17 s VAL 51 CO 0.04 0.00 1.12 -1.81 -0.31 0.00 0.00 175.10 174.14 1t17 s ASP 52 N -3.06 7.23 -0.29 4.85 -0.00 -0.87 -0.56 116.67 123.96 1t17 s ASP 52 Ca 0.23 2.26 0.02 0.00 -0.00 0.00 0.00 52.55 55.07 1t17 s ASP 52 Cb -0.01 -2.62 0.07 0.00 -0.00 0.00 0.00 42.92 40.36 1t17 s ASP 52 CO 0.11 -0.19 -0.04 0.00 -0.00 0.00 0.00 175.17 175.05 1t17 s ALA 53 N -0.93 2.72 -0.53 5.23 0.00 0.52 -2.31 121.76 126.47 1t17 s ALA 53 Ca 0.46 -2.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 1t17 s ALA 53 Cb -0.32 -1.78 0.11 0.00 0.00 0.00 0.00 23.12 21.13 1t17 s ALA 53 CO 0.40 -1.37 0.51 -2.00 0.00 0.00 0.00 175.76 173.30 1t17 s GLU 54 N 1.06 3.00 0.14 0.00 2.12 0.60 0.26 118.70 125.88 1t17 s GLU 54 Ca -0.02 -1.54 0.05 0.00 0.36 0.00 0.00 54.97 53.83 1t17 s GLU 54 Cb -0.20 -4.25 -0.04 0.00 0.26 0.00 0.00 34.13 29.90 1t17 s GLU 54 CO -0.05 -1.29 0.06 0.00 -0.54 0.00 0.00 175.26 173.44 1t17 s ALA 55 N 1.81 3.41 0.36 6.30 0.00 -0.02 -1.50 121.76 132.13 1t17 s ALA 55 Ca 0.05 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1t17 s ALA 55 Cb -0.27 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1t17 s ALA 55 CO 0.05 0.58 0.07 -0.65 0.00 0.00 0.00 175.76 175.80 1t17 s GLN 56 N -2.78 1.78 -0.07 0.00 -0.21 0.21 -1.66 119.66 116.93 1t17 s GLN 56 Ca 0.29 -2.02 0.00 0.00 0.02 0.00 0.00 55.36 53.64 1t17 s GLN 56 Cb -0.11 -0.91 0.02 0.00 1.00 0.00 0.00 33.01 33.01 1t17 s GLN 56 CO 0.21 -0.26 -0.05 0.14 -2.12 0.00 0.00 175.29 173.21 1t17 s VAL 57 N -3.20 0.68 0.06 1.09 -7.23 -0.98 -3.95 120.40 106.87 1t17 s VAL 57 Ca 0.31 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1t17 s VAL 57 Cb 0.07 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1t17 s VAL 57 CO 0.15 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1t17 n GLY 58 N 4.50 -0.05 0.00 2.32 0.00 -1.26 -3.67 105.19 107.03 1t17 n GLY 58 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1t17 n GLY 58 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t17 n PHE 59 N -3.15 0.00 1.56 1.61 7.35 -1.26 -1.77 117.46 121.79 1t17 n PHE 59 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1t17 n PHE 59 Cb 0.22 -0.39 0.36 0.00 0.35 0.00 0.00 39.48 40.01 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1t17 n SER 60 N -1.39 0.88 -0.38 -2.13 7.64 -1.26 -4.86 113.62 112.11 1t17 n SER 60 Ca 0.05 -1.68 -0.05 0.00 1.01 0.00 0.00 58.87 58.20 1t17 n SER 60 Cb 0.15 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t17 n PHE 61 N -0.16 -0.01 -3.85 1.43 7.35 -0.73 -4.89 117.46 116.61 1t17 n PHE 61 Ca 0.13 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.52 1t17 n PHE 61 Cb 0.19 -2.32 -0.14 0.00 0.35 0.00 0.00 39.48 37.55 1t17 n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1t17 s LEU 62 N -1.14 3.45 -0.85 -2.13 2.96 -1.26 -5.05 118.68 114.66 1t17 s LEU 62 Ca 0.00 -2.25 -0.25 0.00 -0.22 0.00 0.00 54.13 51.41 1t17 s LEU 62 Cb 0.00 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1t17 s LEU 62 CO 0.00 -0.34 1.85 -0.60 -1.32 0.00 0.00 176.35 175.94 1t17 s ARG 63 N 0.80 2.71 0.06 1.98 3.52 -1.25 -4.42 118.95 122.35 1t17 s ARG 63 Ca 0.13 -0.19 -0.07 0.00 -0.13 0.00 0.00 55.73 55.47 1t17 s ARG 63 Cb -0.21 -4.92 -0.01 0.00 -1.56 0.00 0.00 34.95 28.26 1t17 s ARG 63 CO -0.10 -3.06 0.15 -1.21 -0.81 0.00 0.00 175.30 170.26 1t17 s GLU 64 N 6.74 0.73 0.06 5.12 2.02 -1.24 -5.04 118.70 127.10 1t17 s GLU 64 Ca 0.65 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.85 1t17 s GLU 64 Cb -0.07 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 1t17 s GLU 64 CO 0.03 -0.21 -0.19 -1.59 0.02 0.00 0.00 175.26 173.32 1t17 s LYS 65 N -3.30 1.20 0.01 1.61 -2.85 -1.26 -2.32 119.74 112.83 1t17 s LYS 65 Ca 0.01 -0.99 -0.17 0.00 -1.00 0.00 0.00 55.97 53.82 1t17 s LYS 65 Cb 0.03 -1.34 0.03 0.00 -2.06 0.00 0.00 37.83 34.49 1t17 s LYS 65 CO -0.08 0.33 0.37 -0.06 0.10 0.00 0.00 175.35 176.01 1t17 s PHE 66 N -0.96 -0.23 0.02 1.78 0.08 -0.66 -4.93 117.98 113.08 1t17 s PHE 66 Ca 0.06 0.26 0.07 0.00 0.12 0.00 0.00 56.93 57.43 1t17 s PHE 66 Cb -0.09 0.16 -0.02 0.00 -0.57 0.00 0.00 43.02 42.50 1t17 s PHE 66 CO 0.03 -0.49 -0.20 0.00 -0.10 0.00 0.00 175.22 174.46 1t17 s ALA 67 N -1.93 1.65 0.08 5.36 0.00 -1.26 -0.84 121.76 124.82 1t17 s ALA 67 Ca -0.09 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1t17 s ALA 67 Cb -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1t17 s ALA 67 CO 0.01 0.38 0.13 0.95 0.00 0.00 0.00 175.76 177.24 1t17 s THR 68 N -0.66 0.16 -0.44 0.00 -4.23 0.14 -0.16 115.64 110.46 1t17 s THR 68 Ca 0.07 -1.35 -0.28 0.00 -1.18 0.00 0.00 61.69 58.95 1t17 s THR 68 Cb -0.08 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.39 1t17 s THR 68 CO 0.01 -0.73 1.07 -0.13 -0.54 0.00 0.00 174.62 174.29 1t17 s ARG 69 N -3.88 3.75 -0.27 3.99 1.81 0.15 0.20 118.95 124.70 1t17 s ARG 69 Ca 0.06 0.56 -0.12 0.00 -1.72 0.00 0.00 55.73 54.51 1t17 s ARG 69 Cb 0.06 -3.88 -0.05 0.00 -0.45 0.00 0.00 34.95 30.63 1t17 s ARG 69 CO -0.11 -1.24 0.25 0.54 -0.68 0.00 0.00 175.30 174.06 1t17 s VAL 70 N 4.11 5.27 -0.18 3.52 0.11 0.28 -1.34 120.40 132.18 1t17 s VAL 70 Ca 0.45 0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 59.75 1t17 s VAL 70 Cb -0.09 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 1t17 s VAL 70 CO 0.27 0.23 0.02 -0.13 -3.33 0.00 0.00 175.10 172.16 1t17 s ARG 71 N 1.75 3.79 0.12 1.54 0.52 0.35 -1.26 118.95 125.76 1t17 s ARG 71 Ca 0.10 -0.44 0.09 0.00 -0.52 0.00 0.00 55.73 54.95 1t17 s ARG 71 Cb -0.16 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1t17 s ARG 71 CO 0.10 0.20 -0.16 0.50 0.02 0.00 0.00 175.30 175.96 1t17 s ARG 72 N 0.52 1.87 -0.10 3.54 3.52 0.12 -1.32 118.95 127.09 1t17 s ARG 72 Ca 0.00 -1.17 -0.06 0.00 -0.13 0.00 0.00 55.73 54.38 1t17 s ARG 72 Cb -0.14 -2.15 0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1t17 s ARG 72 CO 0.02 0.48 0.25 0.34 -0.81 0.00 0.00 175.30 175.57 1t17 s ASP 73 N -2.23 -0.26 -0.01 -2.12 3.68 -1.10 -0.72 116.67 113.90 1t17 s ASP 73 Ca 0.19 0.52 0.18 0.00 2.13 0.00 0.00 52.55 55.58 1t17 s ASP 73 Cb -0.10 0.42 -0.22 0.00 -1.45 0.00 0.00 42.92 41.57 1t17 s ASP 73 CO 0.11 -0.15 0.68 2.29 0.13 0.00 0.00 175.17 178.23 1t17 n LYS 74 N 4.04 0.88 0.01 4.34 2.85 0.37 -2.38 118.16 128.27 1t17 n LYS 74 Ca -0.23 -0.04 0.03 0.00 -1.05 0.00 0.00 58.31 57.02 1t17 n LYS 74 Cb 0.54 -1.38 -0.11 0.00 -0.65 0.00 0.00 35.03 33.43 1t17 n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t17 n ASP 75 N -1.62 0.42 -0.02 -5.58 9.92 -1.23 -4.20 116.55 114.25 1t17 n ASP 75 Ca 0.02 0.18 0.06 0.00 -0.53 0.00 0.00 54.79 54.52 1t17 n ASP 75 Cb 0.34 0.95 -0.13 0.00 -0.64 0.00 0.00 41.12 41.63 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t17 n ALA 76 N -2.38 2.49 -3.13 2.24 0.00 -1.26 -4.99 120.51 113.47 1t17 n ALA 76 Ca -0.11 -0.52 -0.23 0.00 0.00 0.00 0.00 53.44 52.59 1t17 n ALA 76 Cb 0.77 -0.52 0.04 0.00 0.00 0.00 0.00 19.45 19.74 1t17 n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t17 n ARG 77 N -2.18 -5.54 -4.22 0.00 3.00 -1.00 -4.96 116.66 101.76 1t17 n ARG 77 Ca -0.07 0.90 -0.13 0.00 -0.01 0.00 0.00 57.85 58.54 1t17 n ARG 77 Cb 0.54 -5.80 -0.10 0.00 0.00 0.00 0.00 32.46 27.10 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1t17 s SER 78 N -2.83 1.55 0.03 0.55 1.04 -1.22 -4.07 113.70 108.75 1t17 s SER 78 Ca 0.36 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1t17 s SER 78 Cb -0.16 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1t17 s SER 78 CO 0.45 -0.38 -0.15 -0.63 0.98 0.00 0.00 173.24 173.51 1t17 s ILE 79 N -3.41 1.18 0.00 -1.02 -1.09 -0.09 -2.73 121.20 114.05 1t17 s ILE 79 Ca 0.15 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.65 1t17 s ILE 79 Cb 0.03 -1.04 -0.00 0.00 -1.58 0.00 0.00 42.46 39.87 1t17 s ILE 79 CO -0.01 0.11 -0.03 -0.62 -1.23 0.00 0.00 174.94 173.15 1t17 s ASP 80 N -0.94 0.32 -0.05 3.58 2.15 -0.43 -1.62 116.67 119.67 1t17 s ASP 80 Ca 0.03 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 1t17 s ASP 80 Cb -0.07 -0.02 0.03 0.00 -0.30 0.00 0.00 42.92 42.56 1t17 s ASP 80 CO 0.01 -0.01 0.02 -0.69 -0.17 0.00 0.00 175.17 174.33 1t17 s VAL 81 N -0.25 0.19 0.17 1.11 1.01 0.16 0.13 120.40 122.92 1t17 s VAL 81 Ca -0.01 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1t17 s VAL 81 Cb -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1t17 s VAL 81 CO -0.00 0.21 -0.20 -0.44 0.00 0.00 0.00 175.10 174.67 1t17 s SER 82 N 1.79 3.71 0.22 3.32 0.01 -0.45 -1.18 113.70 121.11 1t17 s SER 82 Ca 0.01 -0.72 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1t17 s SER 82 Cb -0.13 -0.42 -0.09 0.00 0.21 0.00 0.00 66.02 65.59 1t17 s SER 82 CO -0.04 0.13 1.33 -0.22 0.41 0.00 0.00 173.24 174.86 1t17 s LEU 83 N -2.54 4.41 0.14 2.44 0.20 -1.08 -0.67 118.68 121.57 1t17 s LEU 83 Ca 0.20 2.47 0.00 0.00 0.69 0.00 0.00 54.13 57.49 1t17 s LEU 83 Cb -0.09 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 1t17 s LEU 83 CO 0.11 -0.56 0.00 -0.11 -0.29 0.00 0.00 176.35 175.50 1t17 n LEU 84 N 2.46 0.87 0.00 -0.68 -0.00 -1.24 -4.77 117.00 113.64 1t17 n LEU 84 Ca 0.06 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1t17 n LEU 84 Cb 0.42 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1t17 n LEU 84 CO 0.58 -0.77 0.04 0.00 -0.00 0.00 0.00 177.39 177.25 1t17 n TYR 85 N -3.49 0.00 0.00 1.96 9.36 -0.97 -5.02 117.16 119.00 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1t17 n TYR 85 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1t17 n GLY 86 N 0.14 -1.79 3.79 2.98 0.00 0.78 -4.60 105.19 106.48 1t17 n GLY 86 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1t17 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t17 s PRO 87 N 0.00 1.13 -0.36 1.61 0.04 -1.26 -4.79 135.00 131.37 1t17 s PRO 87 Ca 0.00 0.29 0.08 0.00 0.04 0.00 0.00 61.00 61.41 1t17 s PRO 87 Cb 0.00 -1.84 0.45 0.00 0.04 0.00 0.00 34.50 33.15 1t17 s PRO 87 CO 0.00 -2.20 1.13 1.19 0.04 0.00 0.00 177.00 177.16 1t17 n PHE 88 N -3.77 2.80 0.17 0.56 3.01 -1.26 -4.76 117.46 114.22 1t17 n PHE 88 Ca 0.07 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.87 1t17 n PHE 88 Cb 0.59 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1t17 n LYS 89 N -0.55 0.00 -3.65 -1.08 4.81 -1.26 -5.15 118.16 111.28 1t17 n LYS 89 Ca 0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.79 1t17 n LYS 89 Cb 0.81 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.79 1t17 n LYS 89 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1t17 s ARG 90 N -2.00 0.01 -0.30 1.64 0.52 -1.26 -5.01 118.95 112.55 1t17 s ARG 90 Ca 0.00 0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.07 1t17 s ARG 90 Cb 0.00 0.01 0.18 0.00 0.52 0.00 0.00 34.95 35.65 1t17 s ARG 90 CO 0.00 -0.00 1.09 -1.17 0.02 0.00 0.00 175.30 175.23 1t17 s LEU 91 N 0.15 -0.41 -0.02 2.53 2.96 -1.26 -1.19 118.68 121.44 1t17 s LEU 91 Ca 0.06 0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1t17 s LEU 91 Cb -0.05 1.44 0.00 0.00 0.50 0.00 0.00 46.19 48.08 1t17 s LEU 91 CO -0.16 -0.08 0.06 0.20 -1.32 0.00 0.00 176.35 175.06 1t17 s ASN 92 N 2.45 -0.03 -0.04 3.68 -0.87 -0.50 -2.65 114.94 116.98 1t17 s ASN 92 Ca -0.01 0.05 0.02 0.00 -1.57 0.00 0.00 52.86 51.35 1t17 s ASN 92 Cb -0.06 0.14 0.01 0.00 -0.02 0.00 0.00 41.25 41.33 1t17 s ASN 92 CO -0.16 -0.07 -0.06 0.20 -2.57 0.00 0.00 177.10 174.44 1t17 s ASN 93 N -0.21 1.04 -0.01 -1.22 0.01 -0.33 0.35 114.94 114.57 1t17 s ASN 93 Ca -0.03 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1t17 s ASN 93 Cb -0.02 -0.42 -0.00 0.00 0.41 0.00 0.00 41.25 41.22 1t17 s ASN 93 CO 0.00 -0.01 -0.07 -0.83 -1.51 0.00 0.00 177.10 174.68 1t17 s GLY 94 N 0.62 0.38 -0.23 0.66 0.00 -0.45 0.37 107.32 108.67 1t17 s GLY 94 Ca -0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.34 1t17 s GLY 94 CO 0.01 -0.17 -0.01 -0.98 0.00 0.00 0.00 173.10 171.95 1t17 s TRP 95 N -0.02 1.99 0.03 1.90 0.23 -0.64 -1.84 118.94 120.60 1t17 s TRP 95 Ca 0.01 -1.55 0.04 0.00 -2.03 0.00 0.00 56.10 52.57 1t17 s TRP 95 Cb -0.05 -1.49 -0.04 0.00 0.03 0.00 0.00 33.47 31.93 1t17 s TRP 95 CO -0.00 -0.74 -0.07 1.03 0.96 0.00 0.00 176.95 178.13 1t17 s ARG 96 N 1.53 2.47 -0.30 4.98 1.81 -0.82 -0.91 118.95 127.72 1t17 s ARG 96 Ca -0.02 -0.79 -0.02 0.00 -1.72 0.00 0.00 55.73 53.17 1t17 s ARG 96 Cb -0.18 -2.47 0.12 0.00 -0.45 0.00 0.00 34.95 31.97 1t17 s ARG 96 CO -0.09 0.58 0.20 -0.06 -0.68 0.00 0.00 175.30 175.25 1t17 s PHE 97 N -1.07 0.05 -0.12 -0.53 0.08 -1.26 -0.88 117.98 114.26 1t17 s PHE 97 Ca 0.19 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1t17 s PHE 97 Cb -0.11 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1t17 s PHE 97 CO 0.10 -0.87 -0.19 -1.64 -0.10 0.00 0.00 175.22 172.52 1t17 s MET 98 N 2.09 3.20 0.47 0.44 -1.94 0.13 -4.91 119.30 118.77 1t17 s MET 98 Ca 0.10 -0.79 -0.21 0.00 -1.71 0.00 0.00 55.69 53.08 1t17 s MET 98 Cb -0.16 -2.46 -0.09 0.00 2.01 0.00 0.00 34.83 34.14 1t17 s MET 98 CO -0.31 0.19 1.04 -1.25 -0.01 0.00 0.00 175.02 174.67 1t17 s PRO 99 N 0.37 3.88 -0.41 2.03 0.04 -1.26 -0.28 135.00 139.37 1t17 s PRO 99 Ca -0.15 1.40 0.09 0.00 0.04 0.00 0.00 61.00 62.38 1t17 s PRO 99 Cb -0.17 -2.20 0.30 0.00 0.04 0.00 0.00 34.50 32.47 1t17 s PRO 99 CO 0.07 -0.37 0.76 0.39 0.04 0.00 0.00 177.00 177.89 1t17 n GLU 100 N -0.76 0.88 0.00 4.56 1.02 -0.60 -4.83 120.64 120.93 1t17 n GLU 100 Ca 0.08 -2.89 0.00 0.00 -0.02 0.00 0.00 57.16 54.33 1t17 n GLU 100 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1t17 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t17 n GLY 101 N 0.77 0.77 0.19 0.62 0.00 -1.26 -4.27 105.19 102.01 1t17 n GLY 101 Ca 0.19 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.82 1t17 n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t17 h ASP 102 N 0.00 0.00 -2.39 1.61 2.03 -1.98 -3.45 116.42 112.23 1t17 h ASP 102 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1t17 h ASP 102 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 1t17 h ASP 102 CO 0.00 0.06 -0.60 0.00 -1.03 0.00 0.00 179.24 177.67 1t17 s ALA 103 N -3.20 3.34 0.08 4.15 0.00 -1.26 -4.18 121.76 120.68 1t17 s ALA 103 Ca 0.05 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.59 1t17 s ALA 103 Cb 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1t17 s ALA 103 CO 0.70 0.33 -0.08 -0.08 0.00 0.00 0.00 175.76 176.63 1t17 s THR 104 N -2.08 3.51 -0.13 0.00 -1.32 -0.56 -1.55 115.64 113.50 1t17 s THR 104 Ca 0.31 -1.11 -0.03 0.00 -1.21 0.00 0.00 61.69 59.65 1t17 s THR 104 Cb -0.08 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1t17 s THR 104 CO 0.21 0.19 -0.02 -0.60 -2.21 0.00 0.00 174.62 172.19 1t17 s ARG 105 N -2.02 3.45 -0.12 7.08 3.52 0.61 -1.77 118.95 129.70 1t17 s ARG 105 Ca 0.21 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1t17 s ARG 105 Cb -0.11 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1t17 s ARG 105 CO 0.13 0.40 -0.21 0.08 -0.81 0.00 0.00 175.30 174.88 1t17 s VAL 106 N -0.05 1.94 -0.26 7.11 1.01 0.26 -0.70 120.40 129.71 1t17 s VAL 106 Ca 0.02 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1t17 s VAL 106 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1t17 s VAL 106 CO 0.02 0.53 0.05 -1.61 0.00 0.00 0.00 175.10 174.09 1t17 s GLU 107 N 0.74 3.41 -0.42 2.72 2.02 -0.06 -1.47 118.70 125.64 1t17 s GLU 107 Ca -0.10 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 1t17 s GLU 107 Cb -0.16 -3.28 0.06 0.00 0.10 0.00 0.00 34.13 30.85 1t17 s GLU 107 CO 0.01 -0.28 0.28 -0.06 0.02 0.00 0.00 175.26 175.23 1t17 s PHE 108 N 1.55 3.28 -0.26 1.61 0.40 0.28 -1.94 117.98 122.90 1t17 s PHE 108 Ca 0.05 -1.16 -0.07 0.00 -0.60 0.00 0.00 56.93 55.15 1t17 s PHE 108 Cb -0.16 -2.84 -0.02 0.00 0.51 0.00 0.00 43.02 40.52 1t17 s PHE 108 CO 0.02 -0.76 0.08 0.14 0.70 0.00 0.00 175.22 175.39 1t17 s VAL 109 N 1.53 4.29 -0.08 -0.44 -7.23 -0.76 -1.05 120.40 116.66 1t17 s VAL 109 Ca 0.03 -0.26 0.05 0.00 -1.81 0.00 0.00 61.98 59.99 1t17 s VAL 109 Cb -0.22 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 1t17 s VAL 109 CO 0.05 0.28 -0.23 0.27 -0.31 0.00 0.00 175.10 175.16 1t17 s ILE 110 N 1.60 2.17 -0.06 -0.62 -5.25 -0.50 -1.34 121.20 117.19 1t17 s ILE 110 Ca 0.06 -1.01 0.01 0.00 -0.99 0.00 0.00 60.65 58.72 1t17 s ILE 110 Cb -0.16 -1.81 0.02 0.00 2.95 0.00 0.00 42.46 43.47 1t17 s ILE 110 CO 0.04 0.56 -0.06 -1.61 -1.79 0.00 0.00 174.94 172.09 1t17 s GLU 111 N 0.01 1.04 0.28 0.37 2.02 0.15 -1.22 118.70 121.35 1t17 s GLU 111 Ca -0.08 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1t17 s GLU 111 Cb -0.15 -1.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.98 1t17 s GLU 111 CO 0.05 -0.12 0.11 -0.06 0.02 0.00 0.00 175.26 175.26 1t17 s PHE 112 N 1.13 1.59 -0.06 1.61 0.40 -1.13 -1.41 117.98 120.12 1t17 s PHE 112 Ca -0.07 -1.21 -0.02 0.00 -0.60 0.00 0.00 56.93 55.02 1t17 s PHE 112 Cb -0.14 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.50 1t17 s PHE 112 CO -0.01 -0.35 0.10 0.00 0.70 0.00 0.00 175.22 175.66 1t17 s ALA 113 N -3.68 0.05 0.21 5.36 0.00 -0.33 -3.50 121.76 119.87 1t17 s ALA 113 Ca 0.37 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1t17 s ALA 113 Cb 0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1t17 s ALA 113 CO 0.15 -0.46 -0.12 -0.06 0.00 0.00 0.00 175.76 175.26 1t17 s PHE 114 N 2.05 1.71 -0.14 0.00 0.08 -1.26 -4.77 117.98 115.66 1t17 s PHE 114 Ca 0.02 -0.62 -0.11 0.00 0.12 0.00 0.00 56.93 56.34 1t17 s PHE 114 Cb -0.12 -0.84 -0.24 0.00 -0.57 0.00 0.00 43.02 41.25 1t17 s PHE 114 CO -0.04 0.32 0.34 0.87 -0.10 0.00 0.00 175.22 176.60 1t17 h LYS 115 N 2.53 0.20 -6.29 0.44 6.56 -2.01 -3.44 116.57 114.55 1t17 h LYS 115 Ca -0.38 -0.34 -0.59 0.00 -1.06 0.00 0.00 60.65 58.28 1t17 h LYS 115 Cb 1.22 0.13 -0.10 0.00 -0.57 0.00 0.00 32.23 32.91 1t17 h LYS 115 CO 0.63 1.16 0.67 -1.12 -2.06 0.00 0.00 179.45 178.73 1t17 s SER 116 N -7.01 6.53 0.59 0.86 0.01 -1.26 -4.87 113.70 108.55 1t17 s SER 116 Ca -0.24 0.20 0.29 0.00 1.31 0.00 0.00 55.95 57.51 1t17 s SER 116 Cb 0.06 -2.48 1.57 0.00 0.21 0.00 0.00 66.02 65.39 1t17 s SER 116 CO 0.72 -1.11 1.99 0.00 0.41 0.00 0.00 173.24 175.26 1t17 h ALA 117 N 9.13 1.94 0.20 1.44 0.00 -1.99 0.51 119.26 130.49 1t17 h ALA 117 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1t17 h ALA 117 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1t17 h ALA 117 CO 1.05 -0.50 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 1t17 h LEU 118 N 0.00 -0.22 -2.46 0.00 -0.00 -1.99 -2.97 115.31 107.67 1t17 h LEU 118 Ca 0.14 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1t17 h LEU 118 Cb 0.83 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1t17 h LEU 118 CO -0.00 0.31 -0.02 -0.07 -0.00 0.00 0.00 178.44 178.66 1t17 h LEU 119 N -0.97 0.00 0.15 1.67 3.38 -1.59 0.37 115.31 118.32 1t17 h LEU 119 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1t17 h LEU 119 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1t17 h LEU 119 CO 0.04 0.02 -0.07 -0.78 0.09 0.00 0.00 178.44 177.74 1t17 h ASP 120 N 0.00 -0.17 0.49 -0.43 1.82 -0.02 0.49 116.42 118.60 1t17 h ASP 120 Ca -0.00 -0.07 -0.22 0.00 -0.39 0.00 0.00 57.03 56.35 1t17 h ASP 120 Cb 0.06 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 1t17 h ASP 120 CO 0.00 -0.03 -0.95 0.00 -1.61 0.00 0.00 179.24 176.65 1t17 h ALA 121 N 0.56 0.40 -0.01 -0.78 0.00 -1.17 0.15 119.26 118.40 1t17 h ALA 121 Ca -0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1t17 h ALA 121 Cb 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1t17 h ALA 121 CO 0.03 0.88 0.01 1.98 0.00 0.00 0.00 179.25 182.16 1t17 h MET 122 N 0.16 0.02 0.00 0.00 4.05 -0.11 0.73 114.93 119.77 1t17 h MET 122 Ca -0.07 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1t17 h MET 122 Cb 1.59 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.40 1t17 h MET 122 CO 0.15 0.05 -0.30 -0.07 0.23 0.00 0.00 176.91 176.97 1t17 h LEU 123 N -0.01 0.26 -1.45 3.39 3.38 -0.08 -2.97 115.31 117.82 1t17 h LEU 123 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1t17 h LEU 123 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1t17 h LEU 123 CO -0.00 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1t17 h ALA 124 N 0.25 1.00 0.06 1.53 0.00 -0.67 0.91 119.26 122.34 1t17 h ALA 124 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1t17 h ALA 124 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1t17 h ALA 124 CO 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 1t17 h ALA 125 N 2.05 -0.08 0.00 0.00 0.00 0.61 -3.26 119.26 118.57 1t17 h ALA 125 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1t17 h ALA 125 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1t17 h ALA 125 CO 0.00 -0.12 -0.20 -2.95 0.00 0.00 0.00 179.25 175.98 1t17 h ASN 126 N -0.92 0.00 -0.94 0.00 7.08 -1.22 -2.76 115.58 116.83 1t17 h ASN 126 Ca -0.01 0.00 0.25 0.00 -3.08 0.00 0.00 56.30 53.46 1t17 h ASN 126 Cb 0.59 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.70 1t17 h ASN 126 CO 0.01 0.20 0.43 1.62 -2.08 0.00 0.00 177.43 177.62 1t17 h VAL 127 N 0.00 0.41 -0.53 6.14 3.04 -0.89 0.91 116.25 125.33 1t17 h VAL 127 Ca -0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 66.70 65.52 1t17 h VAL 127 Cb 0.54 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.80 1t17 h VAL 127 CO 0.03 0.07 0.17 -0.78 -1.01 0.00 0.00 177.57 176.05 1t17 h ASP 128 N 0.37 0.76 -0.30 3.17 1.82 -1.60 -0.04 116.42 120.60 1t17 h ASP 128 Ca 0.61 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1t17 h ASP 128 Cb 1.25 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 1t17 h ASP 128 CO -0.57 0.76 0.17 0.03 -1.61 0.00 0.00 179.24 178.02 1t17 h ARG 129 N 0.72 0.41 -0.44 0.28 2.47 0.50 0.51 114.38 118.83 1t17 h ARG 129 Ca 0.17 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1t17 h ARG 129 Cb 0.26 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1t17 h ARG 129 CO -0.01 0.32 0.27 0.00 0.56 0.00 0.00 179.97 181.11 1t17 h ALA 130 N 1.06 0.56 0.00 0.04 0.00 -0.10 0.38 119.26 121.20 1t17 h ALA 130 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1t17 h ALA 130 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1t17 h ALA 130 CO -0.02 -0.04 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 1t17 h ALA 131 N 1.19 1.48 -0.14 0.00 0.00 -0.62 0.72 119.26 121.89 1t17 h ALA 131 Ca 0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1t17 h ALA 131 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1t17 h ALA 131 CO -0.07 0.39 -0.26 0.78 0.00 0.00 0.00 179.25 180.09 1t17 h GLY 132 N 0.94 0.46 1.56 0.00 0.00 0.16 -0.52 103.07 105.65 1t17 h GLY 132 Ca -0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1t17 h GLY 132 CO 0.04 0.48 -0.32 0.07 0.00 0.00 0.00 176.54 176.81 1t17 h LYS 133 N 0.02 0.50 -0.46 4.80 5.09 -0.05 -1.19 116.57 125.28 1t17 h LYS 133 Ca 0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 60.65 60.44 1t17 h LYS 133 Cb 0.85 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.15 1t17 h LYS 133 CO 0.06 0.77 -0.06 1.25 -2.09 0.00 0.00 179.45 179.38 1t17 h LEU 134 N 0.43 0.85 -0.69 7.07 5.85 -0.82 0.70 115.31 128.71 1t17 h LEU 134 Ca 0.05 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1t17 h LEU 134 Cb 0.77 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1t17 h LEU 134 CO 0.06 0.98 0.27 0.40 -0.34 0.00 0.00 178.44 179.81 1t17 h ILE 135 N 0.69 1.24 -0.28 4.05 2.04 -0.82 -0.31 117.51 124.13 1t17 h ILE 135 Ca 0.12 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1t17 h ILE 135 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1t17 h ILE 135 CO 0.03 0.31 -0.18 0.00 0.00 0.00 0.00 178.15 178.31 1t17 h ALA 136 N 1.12 1.17 0.17 1.87 0.00 -0.97 -0.50 119.26 122.12 1t17 h ALA 136 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1t17 h ALA 136 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1t17 h ALA 136 CO -0.02 0.53 -0.08 0.00 0.00 0.00 0.00 179.25 179.68 1t17 h PHE 138 N -0.40 1.00 0.15 0.00 3.57 -0.84 0.40 116.94 120.83 1t17 h PHE 138 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1t17 h PHE 138 Cb 0.31 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1t17 h PHE 138 CO -0.02 0.58 -0.07 1.49 -2.23 0.00 0.00 178.31 178.06 1t17 h GLU 139 N 1.03 -0.19 -1.00 1.11 4.81 -0.78 0.44 114.58 120.00 1t17 h GLU 139 Ca 0.34 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.64 1t17 h GLU 139 Cb 0.05 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1t17 h GLU 139 CO -0.10 0.04 0.65 0.00 -0.73 0.00 0.00 179.01 178.86 1t17 h ALA 140 N 0.42 1.38 -0.55 2.92 0.00 -0.44 -0.11 119.26 122.89 1t17 h ALA 140 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1t17 h ALA 140 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1t17 h ALA 140 CO 0.03 0.46 0.10 0.00 0.00 0.00 0.00 179.25 179.84 1t17 h ARG 141 N 1.19 0.86 -0.43 0.00 3.08 -0.67 0.44 114.38 118.84 1t17 h ARG 141 Ca 0.43 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1t17 h ARG 141 Cb 0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1t17 h ARG 141 CO -0.17 0.79 0.14 0.00 -1.07 0.00 0.00 179.97 179.67 1t17 h ALA 142 N 1.29 0.57 -0.07 0.04 0.00 0.81 0.61 119.26 122.50 1t17 h ALA 142 Ca 0.17 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1t17 h ALA 142 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1t17 h ALA 142 CO 0.00 0.21 -0.58 0.37 0.00 0.00 0.00 179.25 179.25 1t17 h GLN 143 N 0.56 0.23 -0.36 0.00 4.15 -0.75 0.48 115.11 119.42 1t17 h GLN 143 Ca 0.14 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 1t17 h GLN 143 Cb 0.25 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1t17 h GLN 143 CO -0.01 0.75 -0.19 0.37 -1.93 0.00 0.00 178.83 177.82 1t17 h GLN 144 N 0.17 0.69 0.06 1.69 4.15 0.28 1.39 115.11 123.55 1t17 h GLN 144 Ca -0.00 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.16 1t17 h GLN 144 Cb 1.08 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1t17 h GLN 144 CO 0.09 0.84 -0.03 1.25 -1.93 0.00 0.00 178.83 179.05 1t17 h LEU 145 N 0.61 -0.07 -1.61 -2.39 6.46 -0.73 -3.07 115.31 114.52 1t17 h LEU 145 Ca 0.09 -0.49 -0.04 0.00 -0.12 0.00 0.00 57.88 57.32 1t17 h LEU 145 Cb 0.67 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1t17 h LEU 145 CO 0.05 0.63 -0.18 0.45 -0.62 0.00 0.00 178.44 178.77 1t17 h HIS 146 N -0.95 0.02 0.39 1.25 3.86 -0.92 -2.91 115.15 115.89 1t17 h HIS 146 Ca -0.01 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1t17 h HIS 146 Cb 0.55 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1t17 h HIS 146 CO 0.13 0.20 -0.32 0.78 0.86 0.00 0.00 177.93 179.58 1t17 h GLY 147 N 0.58 -0.79 0.00 2.45 0.00 0.18 -3.50 103.07 102.00 1t17 h GLY 147 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1t17 h GLY 147 CO 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.27