#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 1.88 -4.06 2.03 -0.00 -1.22 -4.76 115.22 109.08 1t17 n HIS 2 Ca 0.00 0.74 -0.31 0.00 -0.00 0.00 0.00 57.72 58.14 1t17 n HIS 2 Cb 0.00 -2.38 -0.16 0.00 -0.00 0.00 0.00 29.99 27.45 1t17 n HIS 2 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1t17 s ARG 3 N 3.71 2.55 -0.13 -0.41 3.52 -1.26 -3.01 118.95 123.92 1t17 s ARG 3 Ca 1.03 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1t17 s ARG 3 Cb -1.23 -2.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1t17 s ARG 3 CO 0.70 -0.26 -0.08 -1.01 -0.81 0.00 0.00 175.30 173.85 1t17 s HIS 4 N 1.38 2.93 0.08 5.12 3.76 -0.74 -4.98 115.29 122.84 1t17 s HIS 4 Ca 0.04 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1t17 s HIS 4 Cb -0.14 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1t17 s HIS 4 CO -0.11 -0.02 0.02 0.08 -0.85 0.00 0.00 174.74 173.86 1t17 s VAL 5 N 0.13 4.17 -0.08 -0.90 1.01 -1.26 -1.59 120.40 121.87 1t17 s VAL 5 Ca -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1t17 s VAL 5 Cb -0.14 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.30 1t17 s VAL 5 CO 0.04 0.15 0.09 -0.69 0.00 0.00 0.00 175.10 174.68 1t17 s VAL 6 N -1.31 -0.14 -0.10 2.92 1.01 0.21 -4.99 120.40 118.01 1t17 s VAL 6 Ca 0.26 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1t17 s VAL 6 Cb -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1t17 s VAL 6 CO 0.18 0.06 -0.21 -0.89 0.00 0.00 0.00 175.10 174.24 1t17 s THR 7 N 2.19 1.86 0.25 3.92 2.01 -1.26 0.00 115.64 124.61 1t17 s THR 7 Ca 0.04 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1t17 s THR 7 Cb -0.13 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1t17 s THR 7 CO -0.05 0.52 0.13 -0.54 -0.69 0.00 0.00 174.62 173.99 1t17 s LYS 8 N 0.53 1.40 -0.06 4.92 3.01 -0.39 -5.01 119.74 124.14 1t17 s LYS 8 Ca -0.15 -1.76 -0.00 0.00 -1.01 0.00 0.00 55.97 53.04 1t17 s LYS 8 Cb -0.17 0.01 0.02 0.00 -1.01 0.00 0.00 37.83 36.68 1t17 s LYS 8 CO 0.05 -0.39 -0.02 0.08 0.51 0.00 0.00 175.35 175.58 1t17 s VAL 9 N -3.85 0.46 -0.16 3.17 1.01 -1.26 -1.40 120.40 118.37 1t17 s VAL 9 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1t17 s VAL 9 Cb 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1t17 s VAL 9 CO 0.15 0.24 -0.04 -0.76 0.00 0.00 0.00 175.10 174.68 1t17 s LEU 10 N 1.39 1.47 -1.13 3.92 1.43 0.11 -4.96 118.68 120.92 1t17 s LEU 10 Ca -0.04 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 1t17 s LEU 10 Cb -0.13 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.17 1t17 s LEU 10 CO -0.03 -0.19 2.17 -0.81 0.23 0.00 0.00 176.35 177.72 1t17 n PRO 11 N 4.91 2.30 -3.57 1.29 -0.04 -1.26 -1.51 135.00 137.11 1t17 n PRO 11 Ca -0.11 -2.10 -0.17 0.00 -0.04 0.00 0.00 63.50 61.08 1t17 n PRO 11 Cb 0.48 -2.98 -0.05 0.00 -0.04 0.00 0.00 33.50 30.92 1t17 n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1t17 n TYR 12 N 6.14 0.09 -2.05 0.54 4.01 -1.26 -4.92 117.16 119.71 1t17 n TYR 12 Ca 0.53 -1.71 -0.30 0.00 -0.16 0.00 0.00 57.90 56.26 1t17 n TYR 12 Cb 0.34 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.38 1t17 n TYR 12 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1t17 s THR 13 N -2.54 4.56 -1.38 -0.72 -4.23 -1.26 -4.51 115.64 105.55 1t17 s THR 13 Ca 0.13 0.66 0.23 0.00 -1.18 0.00 0.00 61.69 61.53 1t17 s THR 13 Cb 0.01 -3.80 0.37 0.00 1.34 0.00 0.00 72.50 70.41 1t17 s THR 13 CO 0.10 -1.00 1.74 -0.81 -0.54 0.00 0.00 174.62 174.10 1t17 n PRO 14 N -2.68 0.29 -0.03 3.99 -0.04 -1.26 -3.06 135.00 132.20 1t17 n PRO 14 Ca 0.05 0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1t17 n PRO 14 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.21 -0.85 3.54 3.58 -2.01 -3.11 116.42 117.77 1t17 h ASP 15 Ca 0.00 -0.67 0.19 0.00 0.42 0.00 0.00 57.03 56.98 1t17 h ASP 15 Cb 0.23 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1t17 h ASP 15 CO 0.00 0.84 0.57 1.56 -2.88 0.00 0.00 179.24 179.33 1t17 h GLN 16 N -0.41 0.36 -0.65 0.28 1.08 -1.94 0.42 115.11 114.24 1t17 h GLN 16 Ca -0.01 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1t17 h GLN 16 Cb 0.84 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 1t17 h GLN 16 CO 0.04 0.24 0.19 -0.07 -0.95 0.00 0.00 178.83 178.27 1t17 h LEU 17 N 0.37 0.94 -1.46 1.46 3.38 -1.67 -2.25 115.31 116.07 1t17 h LEU 17 Ca 0.43 -0.17 0.30 0.00 0.09 0.00 0.00 57.88 58.53 1t17 h LEU 17 Cb 1.12 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 1t17 h LEU 17 CO -0.14 0.89 0.72 0.15 0.09 0.00 0.00 178.44 180.15 1t17 h PHE 18 N 0.97 0.54 0.02 1.13 3.04 -0.08 1.06 116.94 123.61 1t17 h PHE 18 Ca 0.21 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.97 1t17 h PHE 18 Cb 0.30 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1t17 h PHE 18 CO 0.02 0.01 -0.96 0.93 -2.02 0.00 0.00 178.31 176.29 1t17 h GLU 19 N 0.29 0.07 -0.13 1.11 5.08 -1.42 -2.71 114.58 116.88 1t17 h GLU 19 Ca 0.62 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.82 1t17 h GLU 19 Cb 1.76 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.05 1t17 h GLU 19 CO -0.27 0.97 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.50 1t17 h LEU 20 N 0.03 0.35 -1.77 1.33 3.38 0.11 0.98 115.31 119.72 1t17 h LEU 20 Ca -0.03 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1t17 h LEU 20 Cb 1.66 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1t17 h LEU 20 CO 0.13 0.78 -0.03 0.58 0.09 0.00 0.00 178.44 179.99 1t17 h VAL 21 N -0.06 1.07 -0.59 1.22 2.07 -0.27 -0.90 116.25 118.79 1t17 h VAL 21 Ca 0.02 -0.29 -0.25 0.00 0.82 0.00 0.00 66.70 67.00 1t17 h VAL 21 Cb 0.68 1.05 -0.15 0.00 -1.52 0.00 0.00 31.29 31.35 1t17 h VAL 21 CO 0.04 0.09 0.20 0.61 0.02 0.00 0.00 177.57 178.52 1t17 n GLY 22 N -1.31 4.44 0.01 2.17 0.00 -1.02 -4.52 105.19 104.96 1t17 n GLY 22 Ca -0.02 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.86 0.05 0.15 1.61 -0.08 0.32 0.20 116.55 117.94 1t17 n ASP 23 Ca 0.40 0.52 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 1t17 n ASP 23 Cb 1.26 -0.53 0.24 0.00 2.34 0.00 0.00 41.12 44.43 1t17 n ASP 23 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1t17 h VAL 24 N 0.00 0.00 0.00 5.18 -1.51 -1.81 -3.31 116.25 114.80 1t17 h VAL 24 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1t17 h VAL 24 Cb 0.17 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1t17 h VAL 24 CO 0.00 0.00 -0.10 -0.67 -1.23 0.00 0.00 177.57 175.57 1t17 n ASP 25 N -2.65 0.22 0.00 4.19 2.03 0.20 -4.01 116.55 116.53 1t17 n ASP 25 Ca 0.04 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 54.02 1t17 n ASP 25 Cb 0.49 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.08 0.76 -2.92 -1.67 0.00 0.55 -5.07 120.51 112.08 1t17 n ALA 26 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1t17 n ALA 26 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.26 0.00 0.00 4.11 -1.24 -4.95 117.16 114.81 1t17 n TYR 27 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1t17 n TYR 27 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 39.34 38.38 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 1.05 0.00 0.00 -3.48 -0.04 -1.26 -4.62 135.00 126.65 1t17 n PRO 28 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1t17 n PRO 28 Cb 0.46 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1t17 n PRO 28 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1t17 n LYS 29 N -0.31 0.00 -3.76 0.54 4.76 -1.26 -4.93 118.16 113.20 1t17 n LYS 29 Ca 0.00 0.33 -0.01 0.00 -2.87 0.00 0.00 58.31 55.77 1t17 n LYS 29 Cb 0.00 -0.84 -0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1t17 n LYS 29 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1t17 s PHE 30 N -0.68 -0.04 -0.32 2.13 -0.71 -1.26 -5.13 117.98 111.96 1t17 s PHE 30 Ca 0.00 -0.18 0.00 0.00 -1.04 0.00 0.00 56.93 55.71 1t17 s PHE 30 Cb 0.00 0.60 0.14 0.00 -1.21 0.00 0.00 43.02 42.55 1t17 s PHE 30 CO 0.00 -0.55 0.28 0.14 -1.34 0.00 0.00 175.22 173.75 1t17 s VAL 31 N -2.56 -0.24 0.12 -2.49 -7.23 -1.26 -4.96 120.40 101.78 1t17 s VAL 31 Ca 0.17 -0.88 -0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1t17 s VAL 31 Cb 0.01 -0.91 -0.17 0.00 0.56 0.00 0.00 36.38 35.86 1t17 s VAL 31 CO 0.00 -0.63 1.30 1.55 -0.31 0.00 0.00 175.10 177.01 1t17 h PRO 32 N 7.72 0.55 0.00 4.82 0.13 -1.96 -2.88 132.00 140.38 1t17 h PRO 32 Ca -0.06 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1t17 h PRO 32 Cb 1.04 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1t17 h PRO 32 CO 0.30 1.16 0.21 0.11 -0.23 0.00 0.00 178.00 179.55 1t17 h TRP 33 N 0.34 0.00 -4.47 1.56 0.09 -1.91 -3.42 115.95 108.13 1t17 h TRP 33 Ca -0.08 0.00 -0.43 0.00 0.09 0.00 0.00 58.89 58.47 1t17 h TRP 33 Cb 1.52 0.00 -0.10 0.00 0.08 0.00 0.00 29.16 30.67 1t17 h TRP 33 CO 0.07 0.00 -0.36 1.51 0.09 0.00 0.00 178.44 179.75 1t17 n ILE 34 N -2.82 0.00 0.00 0.12 3.06 -1.09 -4.81 119.36 113.82 1t17 n ILE 34 Ca -0.02 -1.86 0.00 0.00 -2.50 0.00 0.00 62.75 58.37 1t17 n ILE 34 Cb 0.26 0.68 0.00 0.00 0.54 0.00 0.00 39.64 41.12 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 -0.71 0.00 -3.91 9.51 5.66 -1.25 -4.61 114.28 118.97 1t17 n THR 35 Ca -0.04 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.70 1t17 n THR 35 Cb 0.48 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.90 1.66 -0.07 1.09 0.00 -1.26 -4.94 107.32 102.89 1t17 s GLY 36 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 44.72 43.38 1t17 s GLY 36 CO 0.00 -1.03 0.76 -3.16 0.00 0.00 0.00 173.10 169.67 1t17 s MET 37 N -3.34 0.95 -0.28 2.90 0.00 -1.25 -0.72 119.30 117.57 1t17 s MET 37 Ca 0.35 0.22 -0.20 0.00 0.00 0.00 0.00 55.69 56.06 1t17 s MET 37 Cb -0.11 0.45 0.08 0.00 0.00 0.00 0.00 34.83 35.25 1t17 s MET 37 CO 0.29 -0.30 0.73 0.50 0.00 0.00 0.00 175.02 176.24 1t17 s ARG 38 N -1.22 0.74 -0.09 3.16 6.06 -0.75 -4.97 118.95 121.88 1t17 s ARG 38 Ca -0.09 1.09 0.00 0.00 -2.50 0.00 0.00 55.73 54.24 1t17 s ARG 38 Cb -0.00 0.25 0.02 0.00 0.06 0.00 0.00 34.95 35.28 1t17 s ARG 38 CO 0.08 -0.12 -0.08 0.95 -2.50 0.00 0.00 175.30 173.62 1t17 s THR 39 N 1.08 0.94 0.00 4.11 -4.23 -1.26 -0.66 115.64 115.62 1t17 s THR 39 Ca -0.06 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1t17 s THR 39 Cb -0.05 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1t17 s THR 39 CO -0.11 0.34 0.00 -2.67 -0.54 0.00 0.00 174.62 171.64 1t17 n TRP 40 N 4.55 0.00 -2.46 3.99 2.14 -0.82 -4.98 117.44 119.86 1t17 n TRP 40 Ca -0.16 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.36 1t17 n TRP 40 Cb 0.51 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.97 1t17 n TRP 40 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1t17 n ASN 41 N 0.00 -1.47 0.00 -0.67 3.02 -1.26 -1.08 115.26 113.80 1t17 n ASN 41 Ca 0.00 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1t17 n ASN 41 Cb 0.00 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.46 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t17 n GLY 42 N 1.35 -0.82 3.16 7.41 0.00 -1.26 -1.30 105.19 113.73 1t17 n GLY 42 Ca -0.32 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.67 0.92 -0.06 1.61 1.70 0.13 -4.97 118.95 117.61 1t17 s ARG 43 Ca 0.00 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 1t17 s ARG 43 Cb 0.00 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1t17 s ARG 43 CO 0.00 -0.26 -0.04 0.54 -1.08 0.00 0.00 175.30 174.46 1t17 s VAL 44 N -4.03 0.55 -0.04 4.99 0.11 -1.26 -0.76 120.40 119.96 1t17 s VAL 44 Ca 0.22 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1t17 s VAL 44 Cb 0.07 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1t17 s VAL 44 CO 0.01 0.25 -0.07 -0.62 -3.33 0.00 0.00 175.10 171.34 1t17 s ASP 45 N 1.20 1.07 0.55 3.54 2.15 -0.01 -5.01 116.67 120.16 1t17 s ASP 45 Ca -0.06 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1t17 s ASP 45 Cb -0.14 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.08 1t17 s ASP 45 CO -0.02 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1t17 n GLY 46 N 3.66 2.70 2.04 2.66 0.00 -1.26 0.33 105.19 115.31 1t17 n GLY 46 Ca -0.22 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 8.12 5.28 -2.70 4.61 0.00 -1.26 -4.88 120.51 129.69 1t17 n ALA 47 Ca 0.00 -2.45 -0.12 0.00 0.00 0.00 0.00 53.44 50.87 1t17 n ALA 47 Cb 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 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 -3.04 0.57 -0.04 0.00 1.01 0.15 0.15 120.40 119.20 1t17 s VAL 48 Ca 0.47 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1t17 s VAL 48 Cb 0.39 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1t17 s VAL 48 CO 0.05 -0.50 0.12 -0.94 0.00 0.00 0.00 175.10 173.84 1t17 s SER 49 N -1.92 -0.10 -0.06 3.32 1.04 0.16 -0.83 113.70 115.31 1t17 s SER 49 Ca -0.05 0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 1t17 s SER 49 Cb -0.06 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1t17 s SER 49 CO -0.01 -0.09 -0.02 -0.89 0.98 0.00 0.00 173.24 173.21 1t17 s THR 50 N -0.16 0.46 0.27 2.02 2.01 0.06 0.44 115.64 120.74 1t17 s THR 50 Ca -0.02 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 1t17 s THR 50 Cb -0.02 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 1t17 s THR 50 CO 0.00 0.24 0.50 0.68 -0.69 0.00 0.00 174.62 175.35 1t17 s VAL 51 N 1.42 0.00 0.23 3.82 -7.23 -0.39 0.19 120.40 118.44 1t17 s VAL 51 Ca -0.03 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1t17 s VAL 51 Cb -0.13 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 1t17 s VAL 51 CO -0.03 0.00 1.07 -1.81 -0.31 0.00 0.00 175.10 174.03 1t17 s ASP 52 N -3.05 7.33 -0.25 4.85 1.01 -0.24 -0.15 116.67 126.17 1t17 s ASP 52 Ca 0.23 2.14 0.01 0.00 0.71 0.00 0.00 52.55 55.65 1t17 s ASP 52 Cb -0.01 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1t17 s ASP 52 CO 0.11 -0.13 -0.05 0.00 0.21 0.00 0.00 175.17 175.31 1t17 s ALA 53 N -0.77 2.17 -0.53 5.23 0.00 0.57 -1.94 121.76 126.50 1t17 s ALA 53 Ca 0.46 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 1t17 s ALA 53 Cb -0.30 -1.53 0.12 0.00 0.00 0.00 0.00 23.12 21.41 1t17 s ALA 53 CO 0.37 -1.27 0.48 -2.00 0.00 0.00 0.00 175.76 173.34 1t17 s GLU 54 N 1.29 2.97 0.20 0.00 2.12 0.17 -0.57 118.70 124.87 1t17 s GLU 54 Ca -0.04 -1.66 0.06 0.00 0.36 0.00 0.00 54.97 53.69 1t17 s GLU 54 Cb -0.19 -4.26 -0.04 0.00 0.26 0.00 0.00 34.13 29.90 1t17 s GLU 54 CO -0.07 -1.28 0.16 0.00 -0.54 0.00 0.00 175.26 173.53 1t17 s ALA 55 N 1.60 3.58 0.46 6.30 0.00 -0.37 -1.81 121.76 131.50 1t17 s ALA 55 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1t17 s ALA 55 Cb -0.29 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1t17 s ALA 55 CO 0.03 0.39 0.07 1.04 0.00 0.00 0.00 175.76 177.30 1t17 n GLN 56 N -0.71 0.69 -4.00 0.00 6.02 0.11 -1.74 117.38 117.74 1t17 n GLN 56 Ca -0.08 -3.55 -0.22 0.00 -0.01 0.00 0.00 57.00 53.14 1t17 n GLN 56 Cb 0.56 1.41 -0.17 0.00 1.02 0.00 0.00 30.24 33.07 1t17 n GLN 56 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1t17 s VAL 57 N -2.94 0.58 -0.42 5.09 -7.23 -1.23 -3.94 120.40 110.30 1t17 s VAL 57 Ca 0.10 -0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.25 1t17 s VAL 57 Cb 0.00 -0.64 0.20 0.00 0.56 0.00 0.00 36.38 36.50 1t17 s VAL 57 CO 0.07 0.26 0.42 0.61 -0.31 0.00 0.00 175.10 176.15 1t17 n GLY 58 N 4.56 2.51 0.00 2.32 0.00 -1.26 -4.40 105.19 108.93 1t17 n GLY 58 Ca -0.17 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 2.26 0.00 1.94 1.61 7.35 -1.26 -4.80 117.46 124.56 1t17 n PHE 59 Ca 0.26 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.98 1t17 n PHE 59 Cb 0.49 0.00 0.16 0.00 0.35 0.00 0.00 39.48 40.48 1t17 n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1t17 n SER 60 N 0.00 0.00 0.00 -2.13 3.41 -1.26 -4.82 113.62 108.82 1t17 n SER 60 Ca 0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1t17 n SER 60 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1t17 n PHE 61 N -0.59 0.00 -3.90 7.33 7.35 -1.26 -4.90 117.46 121.49 1t17 n PHE 61 Ca 0.04 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.43 1t17 n PHE 61 Cb 0.02 -1.60 -0.14 0.00 0.35 0.00 0.00 39.48 38.10 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 0.00 3.91 -0.90 -2.13 2.96 -1.26 -5.05 118.68 116.21 1t17 s LEU 62 Ca 0.00 -2.56 -0.24 0.00 -0.22 0.00 0.00 54.13 51.11 1t17 s LEU 62 Cb 0.00 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.26 1t17 s LEU 62 CO 0.00 -0.30 1.64 -0.60 -1.32 0.00 0.00 176.35 175.77 1t17 s ARG 63 N 0.37 3.08 -0.08 1.98 3.00 -1.26 -4.68 118.95 121.36 1t17 s ARG 63 Ca 0.15 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.73 54.28 1t17 s ARG 63 Cb -0.23 -5.00 0.03 0.00 0.00 0.00 0.00 34.95 29.75 1t17 s ARG 63 CO -0.05 -2.66 0.19 -1.21 0.00 0.00 0.00 175.30 171.58 1t17 s GLU 64 N 5.99 0.18 -0.00 5.12 2.02 -1.26 -5.06 118.70 125.69 1t17 s GLU 64 Ca 0.55 0.36 -0.04 0.00 0.02 0.00 0.00 54.97 55.87 1t17 s GLU 64 Cb -0.05 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 1t17 s GLU 64 CO -0.00 -0.10 0.21 -1.59 0.02 0.00 0.00 175.26 173.79 1t17 s LYS 65 N 0.72 3.48 0.04 1.61 -2.85 -1.26 -3.54 119.74 117.93 1t17 s LYS 65 Ca -0.05 -0.25 -0.03 0.00 -1.00 0.00 0.00 55.97 54.63 1t17 s LYS 65 Cb -0.07 -3.08 -0.02 0.00 -2.06 0.00 0.00 37.83 32.60 1t17 s LYS 65 CO -0.04 0.66 0.04 -0.06 0.10 0.00 0.00 175.35 176.05 1t17 s PHE 66 N -1.33 0.29 0.01 1.78 0.08 -0.71 -5.00 117.98 113.10 1t17 s PHE 66 Ca 0.28 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1t17 s PHE 66 Cb -0.13 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 1t17 s PHE 66 CO 0.18 -0.33 -0.12 0.00 -0.10 0.00 0.00 175.22 174.85 1t17 s ALA 67 N -2.66 1.00 0.24 5.36 0.00 -1.26 -1.24 121.76 123.21 1t17 s ALA 67 Ca -0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 1t17 s ALA 67 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1t17 s ALA 67 CO -0.05 0.22 0.39 0.95 0.00 0.00 0.00 175.76 177.27 1t17 s THR 68 N -0.46 0.00 -0.45 0.00 -4.23 0.26 -1.91 115.64 108.85 1t17 s THR 68 Ca 0.03 -1.57 -0.19 0.00 -1.18 0.00 0.00 61.69 58.78 1t17 s THR 68 Cb -0.06 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.50 1t17 s THR 68 CO 0.00 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.64 1t17 s ARG 69 N -3.97 3.18 -0.02 3.99 1.70 0.71 0.21 118.95 124.76 1t17 s ARG 69 Ca 0.27 -0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 54.74 1t17 s ARG 69 Cb 0.01 -3.99 -0.05 0.00 -0.57 0.00 0.00 34.95 30.35 1t17 s ARG 69 CO 0.11 -1.00 0.47 0.54 -1.08 0.00 0.00 175.30 174.34 1t17 s VAL 70 N 2.53 5.01 -0.20 4.99 0.11 0.79 -1.52 120.40 132.11 1t17 s VAL 70 Ca 0.17 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.20 1t17 s VAL 70 Cb -0.16 -3.79 0.05 0.00 -1.53 0.00 0.00 36.38 30.94 1t17 s VAL 70 CO 0.16 0.49 -0.06 -0.13 -3.33 0.00 0.00 175.10 172.22 1t17 s ARG 71 N -0.52 1.63 0.10 1.54 0.52 0.41 -1.27 118.95 121.36 1t17 s ARG 71 Ca 0.26 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 1t17 s ARG 71 Cb -0.17 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1t17 s ARG 71 CO 0.14 -0.49 0.15 0.50 0.02 0.00 0.00 175.30 175.61 1t17 s ARG 72 N 1.50 3.10 -0.09 3.54 3.52 0.17 -0.86 118.95 129.83 1t17 s ARG 72 Ca -0.02 -0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1t17 s ARG 72 Cb -0.17 -2.82 0.05 0.00 -1.56 0.00 0.00 34.95 30.45 1t17 s ARG 72 CO -0.07 0.56 0.18 0.34 -0.81 0.00 0.00 175.30 175.50 1t17 s ASP 73 N -2.64 0.35 0.00 -2.12 -1.08 -0.94 0.37 116.67 110.60 1t17 s ASP 73 Ca 0.32 0.39 0.25 0.00 -0.52 0.00 0.00 52.55 52.99 1t17 s ASP 73 Cb -0.12 0.34 0.48 0.00 -1.46 0.00 0.00 42.92 42.16 1t17 s ASP 73 CO 0.25 -0.21 1.39 2.29 0.52 0.00 0.00 175.17 179.41 1t17 n LYS 74 N 4.92 0.89 -0.01 4.34 2.85 0.12 -0.54 118.16 130.74 1t17 n LYS 74 Ca -0.13 -0.61 0.04 0.00 -1.05 0.00 0.00 58.31 56.56 1t17 n LYS 74 Cb 0.51 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.27 1t17 n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1t17 n ASP 75 N -0.52 0.29 -0.02 -5.58 2.03 -1.21 -4.34 116.55 107.20 1t17 n ASP 75 Ca 0.11 0.12 0.01 0.00 0.52 0.00 0.00 54.79 55.55 1t17 n ASP 75 Cb 0.38 1.19 -0.07 0.00 -0.72 0.00 0.00 41.12 41.90 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 76 N -2.39 2.14 -2.84 -1.67 0.00 -1.25 -5.01 120.51 109.50 1t17 n ALA 76 Ca -0.11 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 52.80 1t17 n ALA 76 Cb 0.75 -0.19 0.03 0.00 0.00 0.00 0.00 19.45 20.04 1t17 n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1t17 n ARG 77 N -2.03 -3.67 -4.32 0.00 0.63 0.30 -4.92 116.66 102.65 1t17 n ARG 77 Ca -0.07 0.62 -0.17 0.00 -0.92 0.00 0.00 57.85 57.31 1t17 n ARG 77 Cb 0.46 -4.89 -0.10 0.00 0.45 0.00 0.00 32.46 28.38 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1t17 s SER 78 N -2.86 1.97 0.08 6.15 1.04 -1.16 -4.07 113.70 114.85 1t17 s SER 78 Ca 0.24 -1.15 0.05 0.00 0.48 0.00 0.00 55.95 55.56 1t17 s SER 78 Cb -0.10 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1t17 s SER 78 CO 0.29 -0.43 -0.13 -0.63 0.98 0.00 0.00 173.24 173.32 1t17 s ILE 79 N -3.32 1.08 -0.04 -1.02 -1.09 -1.00 -2.22 121.20 113.58 1t17 s ILE 79 Ca 0.25 -1.39 -0.04 0.00 -2.23 0.00 0.00 60.65 57.25 1t17 s ILE 79 Cb 0.04 -1.14 0.01 0.00 -1.58 0.00 0.00 42.46 39.80 1t17 s ILE 79 CO 0.07 -0.30 0.11 -0.62 -1.23 0.00 0.00 174.94 172.97 1t17 s ASP 80 N -1.92 -0.11 -0.06 3.58 3.68 -0.04 -0.92 116.67 120.89 1t17 s ASP 80 Ca -0.00 0.22 -0.00 0.00 2.13 0.00 0.00 52.55 54.90 1t17 s ASP 80 Cb -0.08 0.21 0.03 0.00 -1.45 0.00 0.00 42.92 41.62 1t17 s ASP 80 CO 0.02 -0.05 -0.02 -0.69 0.13 0.00 0.00 175.17 174.56 1t17 s VAL 81 N 0.21 0.47 0.14 1.11 1.01 -0.54 0.16 120.40 122.95 1t17 s VAL 81 Ca -0.01 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.09 1t17 s VAL 81 Cb -0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1t17 s VAL 81 CO -0.01 0.25 -0.26 -0.44 0.00 0.00 0.00 175.10 174.64 1t17 s SER 82 N 1.55 3.35 0.24 3.32 0.01 -0.58 -0.83 113.70 120.77 1t17 s SER 82 Ca -0.01 -0.77 -0.31 0.00 1.31 0.00 0.00 55.95 56.17 1t17 s SER 82 Cb -0.13 -0.23 -0.11 0.00 0.21 0.00 0.00 66.02 65.75 1t17 s SER 82 CO -0.03 0.17 1.64 -0.22 0.41 0.00 0.00 173.24 175.20 1t17 s LEU 83 N -2.18 4.36 0.09 2.44 1.98 -0.99 -0.20 118.68 124.17 1t17 s LEU 83 Ca 0.15 2.87 0.00 0.00 -2.89 0.00 0.00 54.13 54.27 1t17 s LEU 83 Cb -0.10 -3.62 0.00 0.00 0.66 0.00 0.00 46.19 43.14 1t17 s LEU 83 CO 0.07 -0.92 0.00 -0.11 -1.89 0.00 0.00 176.35 173.50 1t17 n LEU 84 N 3.13 0.62 0.00 -0.68 0.00 -1.22 -4.73 117.00 114.12 1t17 n LEU 84 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1t17 n LEU 84 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.64 1t17 n LEU 84 CO 0.63 -0.55 0.09 0.00 0.00 0.00 0.00 177.39 177.56 1t17 n TYR 85 N -3.31 0.00 0.00 1.96 4.19 -0.99 -5.02 117.16 113.98 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1t17 n TYR 85 Cb 0.13 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.96 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1t17 n GLY 86 N 0.30 -3.46 3.65 2.98 0.00 -0.80 -4.74 105.19 103.12 1t17 n GLY 86 Ca 0.00 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 4.14 -0.92 1.61 0.04 -1.26 -4.90 135.00 133.71 1t17 s PRO 87 Ca 0.00 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1t17 s PRO 87 Cb 0.00 -3.81 -0.12 0.00 0.04 0.00 0.00 34.50 30.61 1t17 s PRO 87 CO 0.00 -0.83 2.79 1.19 0.04 0.00 0.00 177.00 180.19 1t17 n PHE 88 N 6.92 1.36 0.00 0.56 3.72 -1.26 -3.20 117.46 125.56 1t17 n PHE 88 Ca 0.14 -2.20 0.00 0.00 -0.05 0.00 0.00 57.45 55.34 1t17 n PHE 88 Cb 0.45 -1.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1t17 n LYS 89 N 3.42 0.00 0.00 -1.08 0.00 -1.26 -5.13 118.16 114.11 1t17 n LYS 89 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.87 1t17 n LYS 89 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.28 1t17 n LYS 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1t17 n ARG 90 N -2.22 0.00 -3.15 1.64 1.74 -1.20 -5.01 116.66 108.47 1t17 n ARG 90 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1t17 n ARG 90 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1t17 n ARG 90 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1t17 s LEU 91 N 0.00 -0.53 0.10 0.55 0.20 -1.26 -0.62 118.68 117.12 1t17 s LEU 91 Ca 0.00 0.31 -0.02 0.00 0.69 0.00 0.00 54.13 55.11 1t17 s LEU 91 Cb 0.00 1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 47.16 1t17 s LEU 91 CO 0.00 -0.10 0.04 0.20 -0.29 0.00 0.00 176.35 176.20 1t17 s ASN 92 N 2.95 0.36 0.13 3.68 -0.87 0.26 -2.36 114.94 119.09 1t17 s ASN 92 Ca 0.03 -1.07 -0.16 0.00 -1.57 0.00 0.00 52.86 50.08 1t17 s ASN 92 Cb -0.10 0.27 0.03 0.00 -0.02 0.00 0.00 41.25 41.43 1t17 s ASN 92 CO -0.13 -0.68 0.39 0.21 -2.57 0.00 0.00 177.10 174.32 1t17 s ASN 93 N -2.98 -0.21 -0.26 -1.22 2.47 -0.01 0.44 114.94 113.16 1t17 s ASN 93 Ca 0.16 -0.35 -0.24 0.00 0.42 0.00 0.00 52.86 52.85 1t17 s ASN 93 Cb 0.07 0.47 0.07 0.00 -1.45 0.00 0.00 41.25 40.41 1t17 s ASN 93 CO -0.04 -0.86 0.70 -0.83 -3.72 0.00 0.00 177.10 172.35 1t17 s GLY 94 N -2.81 -0.53 0.06 1.21 0.00 -0.47 -1.47 107.32 103.30 1t17 s GLY 94 Ca 0.04 1.98 0.08 0.00 0.00 0.00 0.00 44.72 46.81 1t17 s GLY 94 CO -0.11 1.71 -0.20 -0.98 0.00 0.00 0.00 173.10 173.52 1t17 s TRP 95 N 0.41 2.50 -0.00 1.90 0.52 -0.09 -1.61 118.94 122.57 1t17 s TRP 95 Ca -0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 56.10 55.80 1t17 s TRP 95 Cb -0.05 -1.42 -0.00 0.00 -1.15 0.00 0.00 33.47 30.84 1t17 s TRP 95 CO 0.00 0.26 0.06 1.03 0.02 0.00 0.00 176.95 178.32 1t17 s ARG 96 N -1.55 0.30 -0.28 4.98 1.81 0.56 -2.39 118.95 122.38 1t17 s ARG 96 Ca 0.15 -0.32 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 1t17 s ARG 96 Cb -0.10 0.12 0.15 0.00 -0.45 0.00 0.00 34.95 34.67 1t17 s ARG 96 CO 0.06 -0.06 0.39 -0.06 -0.68 0.00 0.00 175.30 174.95 1t17 s PHE 97 N -0.97 -0.92 0.00 -0.53 0.40 -1.26 -0.94 117.98 113.76 1t17 s PHE 97 Ca -0.11 0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.61 1t17 s PHE 97 Cb -0.06 -0.17 -0.02 0.00 0.51 0.00 0.00 43.02 43.28 1t17 s PHE 97 CO 0.00 -0.94 -0.17 -1.64 0.70 0.00 0.00 175.22 173.17 1t17 s MET 98 N 2.52 1.32 0.69 0.44 -1.94 0.30 -4.92 119.30 117.71 1t17 s MET 98 Ca 0.10 -0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 53.31 1t17 s MET 98 Cb -0.13 -1.30 0.00 0.00 2.01 0.00 0.00 34.83 35.42 1t17 s MET 98 CO -0.29 0.35 1.06 -1.25 -0.01 0.00 0.00 175.02 174.88 1t17 s PRO 99 N -0.58 2.97 -0.40 2.03 0.04 -1.26 0.09 135.00 137.88 1t17 s PRO 99 Ca 0.06 0.96 0.10 0.00 0.04 0.00 0.00 61.00 62.17 1t17 s PRO 99 Cb -0.07 -1.99 0.35 0.00 0.04 0.00 0.00 34.50 32.83 1t17 s PRO 99 CO -0.00 -1.08 0.98 -0.85 0.04 0.00 0.00 177.00 176.09 1t17 n GLU 100 N -3.07 1.03 0.00 4.56 0.28 -0.43 -4.73 120.64 118.29 1t17 n GLU 100 Ca 0.08 -2.63 0.00 0.00 -0.16 0.00 0.00 57.16 54.45 1t17 n GLU 100 Cb 0.53 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1t17 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1t17 n GLY 101 N 0.18 0.59 0.15 -1.84 0.00 -1.26 -4.33 105.19 98.68 1t17 n GLY 101 Ca 0.13 -1.31 0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.69 1.61 3.04 -2.00 -3.46 116.42 113.92 1t17 h ASP 102 Ca 0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 1t17 h ASP 102 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.23 1t17 h ASP 102 CO 0.00 0.07 -0.46 0.00 -2.04 0.00 0.00 179.24 176.81 1t17 s ALA 103 N -3.26 3.76 0.08 4.15 0.00 -1.26 -4.66 121.76 120.57 1t17 s ALA 103 Ca 0.02 -1.88 0.08 0.00 0.00 0.00 0.00 51.96 50.17 1t17 s ALA 103 Cb 0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1t17 s ALA 103 CO 0.75 -0.10 -0.17 -0.08 0.00 0.00 0.00 175.76 176.16 1t17 s THR 104 N -2.46 2.91 -0.08 0.00 -1.32 -0.57 -1.31 115.64 112.81 1t17 s THR 104 Ca 0.42 -1.33 0.02 0.00 -1.21 0.00 0.00 61.69 59.60 1t17 s THR 104 Cb -0.02 -2.30 -0.02 0.00 -1.51 0.00 0.00 72.50 68.65 1t17 s THR 104 CO 0.25 0.20 -0.13 -0.60 -2.21 0.00 0.00 174.62 172.14 1t17 s ARG 105 N -1.85 2.89 -0.05 7.08 3.52 0.11 0.04 118.95 130.69 1t17 s ARG 105 Ca 0.17 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 55.16 1t17 s ARG 105 Cb -0.11 -2.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1t17 s ARG 105 CO 0.09 0.46 -0.23 0.08 -0.81 0.00 0.00 175.30 174.89 1t17 s VAL 106 N -0.30 1.85 -0.07 7.11 1.01 -0.50 -0.54 120.40 128.95 1t17 s VAL 106 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1t17 s VAL 106 Cb -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1t17 s VAL 106 CO 0.03 0.52 -0.15 -1.61 0.00 0.00 0.00 175.10 173.89 1t17 s GLU 107 N -0.18 2.01 -0.15 2.72 2.02 -0.11 -1.26 118.70 123.75 1t17 s GLU 107 Ca -0.01 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1t17 s GLU 107 Cb -0.12 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.52 1t17 s GLU 107 CO 0.02 0.06 -0.12 0.12 0.02 0.00 0.00 175.26 175.36 1t17 s PHE 108 N 0.60 2.03 -0.16 1.61 5.36 0.10 -0.32 117.98 127.20 1t17 s PHE 108 Ca -0.15 -1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 54.65 1t17 s PHE 108 Cb -0.16 -1.51 -0.01 0.00 -0.34 0.00 0.00 43.02 40.99 1t17 s PHE 108 CO 0.05 -0.64 -0.12 0.54 -1.46 0.00 0.00 175.22 173.59 1t17 s VAL 109 N 1.53 2.99 -0.05 3.12 0.11 -0.63 -0.62 120.40 126.84 1t17 s VAL 109 Ca 0.04 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1t17 s VAL 109 Cb -0.13 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1t17 s VAL 109 CO -0.10 0.50 -0.22 0.27 -3.33 0.00 0.00 175.10 172.22 1t17 s ILE 110 N 0.79 2.37 -0.06 7.04 -0.00 -0.62 -1.37 121.20 129.35 1t17 s ILE 110 Ca -0.04 -0.97 -0.01 0.00 -0.00 0.00 0.00 60.65 59.63 1t17 s ILE 110 Cb -0.15 -1.88 0.03 0.00 -0.00 0.00 0.00 42.46 40.46 1t17 s ILE 110 CO 0.01 0.57 0.01 -1.61 -0.00 0.00 0.00 174.94 173.92 1t17 s GLU 111 N -0.39 0.46 0.05 0.37 2.02 0.17 -1.79 118.70 119.58 1t17 s GLU 111 Ca 0.04 0.14 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 1t17 s GLU 111 Cb -0.12 -0.82 0.01 0.00 0.10 0.00 0.00 34.13 33.30 1t17 s GLU 111 CO 0.02 -0.28 0.23 -0.59 0.02 0.00 0.00 175.26 174.66 1t17 s PHE 112 N 1.84 0.01 -0.21 1.61 -0.12 -1.16 0.93 117.98 120.87 1t17 s PHE 112 Ca 0.02 -0.23 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 1t17 s PHE 112 Cb -0.12 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.25 1t17 s PHE 112 CO -0.04 -0.47 0.00 0.00 -0.05 0.00 0.00 175.22 174.66 1t17 s ALA 113 N -2.70 2.99 0.48 1.99 0.00 0.20 -3.42 121.76 121.31 1t17 s ALA 113 Ca -0.04 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1t17 s ALA 113 Cb -0.00 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.35 1t17 s ALA 113 CO -0.04 -0.28 0.60 -0.06 0.00 0.00 0.00 175.76 175.97 1t17 s PHE 114 N 1.23 2.21 -0.21 0.00 0.08 -1.26 -4.92 117.98 115.12 1t17 s PHE 114 Ca 0.03 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.36 1t17 s PHE 114 Cb -0.15 -2.25 -0.11 0.00 -0.57 0.00 0.00 43.02 39.95 1t17 s PHE 114 CO 0.01 -0.62 -0.14 1.63 -0.10 0.00 0.00 175.22 175.99 1t17 n LYS 115 N -1.92 0.54 -2.90 0.44 4.01 -1.26 -4.87 118.16 112.20 1t17 n LYS 115 Ca 0.09 0.41 -0.42 0.00 -0.51 0.00 0.00 58.31 57.88 1t17 n LYS 115 Cb 0.61 -1.60 -0.04 0.00 -0.51 0.00 0.00 35.03 33.48 1t17 n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1t17 s SER 116 N -6.59 6.84 0.44 4.39 0.01 -1.26 -4.92 113.70 112.62 1t17 s SER 116 Ca -0.28 1.05 0.10 0.00 1.31 0.00 0.00 55.95 58.13 1t17 s SER 116 Cb 0.07 -2.43 0.97 0.00 0.21 0.00 0.00 66.02 64.84 1t17 s SER 116 CO 0.45 -0.49 2.06 0.00 0.41 0.00 0.00 173.24 175.67 1t17 h ALA 117 N 7.62 1.76 0.17 1.44 0.00 -1.99 0.45 119.26 128.71 1t17 h ALA 117 Ca -0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1t17 h ALA 117 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1t17 h ALA 117 CO 0.86 0.20 -0.08 -0.07 0.00 0.00 0.00 179.25 180.16 1t17 h LEU 118 N 0.32 -0.19 -1.96 0.00 -0.00 -2.00 -2.88 115.31 108.60 1t17 h LEU 118 Ca 0.08 -0.30 -0.02 0.00 -0.00 0.00 0.00 57.88 57.64 1t17 h LEU 118 Cb 0.04 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1t17 h LEU 118 CO -0.01 0.23 -0.10 -0.07 -0.00 0.00 0.00 178.44 178.49 1t17 h LEU 119 N -0.66 0.00 -0.05 1.67 3.38 -1.85 0.18 115.31 117.98 1t17 h LEU 119 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1t17 h LEU 119 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1t17 h LEU 119 CO 0.04 0.10 -0.12 -0.78 0.09 0.00 0.00 178.44 177.77 1t17 h ASP 120 N 0.00 -0.36 0.38 -0.43 -0.00 0.10 1.34 116.42 117.45 1t17 h ASP 120 Ca -0.00 0.06 -0.25 0.00 -0.00 0.00 0.00 57.03 56.84 1t17 h ASP 120 Cb 0.23 0.16 0.01 0.00 -0.00 0.00 0.00 39.33 39.73 1t17 h ASP 120 CO 0.01 -0.17 -1.08 0.00 -0.00 0.00 0.00 179.24 178.01 1t17 h ALA 121 N 0.83 0.23 -0.13 -0.78 0.00 -1.25 0.65 119.26 118.80 1t17 h ALA 121 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1t17 h ALA 121 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1t17 h ALA 121 CO -0.16 0.84 0.09 1.98 0.00 0.00 0.00 179.25 181.99 1t17 h MET 122 N 0.19 0.18 -0.01 0.00 4.05 -0.23 0.76 114.93 119.87 1t17 h MET 122 Ca -0.11 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 1t17 h MET 122 Cb 1.75 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.51 1t17 h MET 122 CO 0.19 0.13 -0.20 -0.07 0.23 0.00 0.00 176.91 177.18 1t17 h LEU 123 N 0.17 0.20 -0.98 3.39 3.38 0.17 -2.70 115.31 118.94 1t17 h LEU 123 Ca 0.05 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1t17 h LEU 123 Cb -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1t17 h LEU 123 CO -0.01 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.43 1t17 n ALA 124 N -2.51 1.22 -0.06 1.53 0.00 0.22 -0.35 120.51 120.55 1t17 n ALA 124 Ca -0.09 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1t17 n ALA 124 Cb 0.46 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 1t17 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t17 h ALA 125 N 2.09 0.01 0.00 0.00 0.00 0.73 -3.30 119.26 118.79 1t17 h ALA 125 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1t17 h ALA 125 Cb 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1t17 h ALA 125 CO 0.00 0.02 -0.01 -2.95 0.00 0.00 0.00 179.25 176.31 1t17 h ASN 126 N -1.00 0.00 -0.89 0.00 7.08 -1.08 -2.85 115.58 116.83 1t17 h ASN 126 Ca -0.01 0.00 0.22 0.00 -3.08 0.00 0.00 56.30 53.43 1t17 h ASN 126 Cb 0.59 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 36.71 1t17 h ASN 126 CO -0.00 0.01 0.40 1.62 -2.08 0.00 0.00 177.43 177.38 1t17 h VAL 127 N 0.00 0.49 -0.59 6.14 3.04 -0.76 0.63 116.25 125.20 1t17 h VAL 127 Ca -0.00 -0.14 0.01 0.00 -1.01 0.00 0.00 66.70 65.55 1t17 h VAL 127 Cb 0.44 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.73 1t17 h VAL 127 CO 0.00 0.08 0.39 -0.78 -1.01 0.00 0.00 177.57 176.25 1t17 h ASP 128 N 0.42 0.67 0.42 3.17 3.58 -1.66 0.12 116.42 123.15 1t17 h ASP 128 Ca 0.55 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.97 1t17 h ASP 128 Cb 1.04 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1t17 h ASP 128 CO -0.52 0.48 -0.20 0.03 -2.88 0.00 0.00 179.24 176.15 1t17 h ARG 129 N 0.79 -0.55 -0.63 0.28 2.47 -0.05 0.55 114.38 117.24 1t17 h ARG 129 Ca 0.22 0.04 0.13 0.00 -1.26 0.00 0.00 59.98 59.10 1t17 h ARG 129 Cb -0.08 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.32 1t17 h ARG 129 CO -0.05 -0.34 0.43 0.00 0.56 0.00 0.00 179.97 180.57 1t17 h ALA 130 N -0.05 2.15 -0.12 0.04 0.00 -0.47 0.11 119.26 120.92 1t17 h ALA 130 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1t17 h ALA 130 Cb 0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1t17 h ALA 130 CO 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 1t17 h ALA 131 N 1.69 0.16 -0.54 0.00 0.00 -0.05 -1.46 119.26 119.06 1t17 h ALA 131 Ca 0.30 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1t17 h ALA 131 Cb 0.74 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1t17 h ALA 131 CO -0.07 -0.12 0.18 0.78 0.00 0.00 0.00 179.25 180.02 1t17 h GLY 132 N -0.07 0.72 1.00 0.00 0.00 0.10 0.73 103.07 105.55 1t17 h GLY 132 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1t17 h GLY 132 CO 0.01 -0.02 0.39 0.07 0.00 0.00 0.00 176.54 176.99 1t17 h LYS 133 N 0.35 0.93 -0.93 4.80 2.10 -1.19 -0.66 116.57 121.97 1t17 h LYS 133 Ca 0.27 -0.10 0.05 0.00 -2.00 0.00 0.00 60.65 58.87 1t17 h LYS 133 Cb 0.32 -0.19 -0.06 0.00 -0.90 0.00 0.00 32.23 31.40 1t17 h LYS 133 CO -0.29 0.69 0.60 1.37 -2.00 0.00 0.00 179.45 179.82 1t17 h LEU 134 N 0.93 0.98 -0.64 7.07 8.10 -0.06 0.14 115.31 131.83 1t17 h LEU 134 Ca 0.24 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.18 1t17 h LEU 134 Cb 0.01 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 39.99 1t17 h LEU 134 CO -0.04 0.66 0.22 0.40 -4.11 0.00 0.00 178.44 175.56 1t17 h ILE 135 N 1.14 1.24 -0.29 0.15 1.08 -0.05 -1.24 117.51 119.54 1t17 h ILE 135 Ca 0.39 -0.81 -0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1t17 h ILE 135 Cb 0.07 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1t17 h ILE 135 CO -0.14 0.31 -0.01 0.00 -0.69 0.00 0.00 178.15 177.62 1t17 h ALA 136 N 1.08 1.44 0.16 1.87 0.00 0.20 0.29 119.26 124.30 1t17 h ALA 136 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1t17 h ALA 136 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1t17 h ALA 136 CO -0.01 0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.56 1t17 h PHE 138 N -0.41 1.01 -0.10 0.00 3.57 -0.83 -0.94 116.94 119.25 1t17 h PHE 138 Ca -0.02 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1t17 h PHE 138 Cb 0.32 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1t17 h PHE 138 CO -0.01 0.75 0.06 1.49 -2.23 0.00 0.00 178.31 178.37 1t17 h GLU 139 N 0.97 0.14 -0.79 1.11 4.81 -0.28 0.97 114.58 121.52 1t17 h GLU 139 Ca 0.24 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 1t17 h GLU 139 Cb 0.13 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1t17 h GLU 139 CO -0.03 0.15 0.48 0.00 -0.73 0.00 0.00 179.01 178.88 1t17 h ALA 140 N 0.98 1.06 -0.37 2.92 0.00 -0.30 -0.03 119.26 123.51 1t17 h ALA 140 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1t17 h ALA 140 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t17 h ALA 140 CO -0.01 0.22 0.01 0.00 0.00 0.00 0.00 179.25 179.47 1t17 h ARG 141 N 0.89 0.57 -0.41 0.00 2.47 -0.71 0.46 114.38 117.66 1t17 h ARG 141 Ca 0.34 -0.13 -0.05 0.00 -1.26 0.00 0.00 59.98 58.88 1t17 h ARG 141 Cb 0.13 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1t17 h ARG 141 CO -0.16 0.59 0.06 0.00 0.56 0.00 0.00 179.97 181.03 1t17 h ALA 142 N 1.46 0.54 -0.05 0.04 0.00 0.91 0.98 119.26 123.14 1t17 h ALA 142 Ca 0.12 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1t17 h ALA 142 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1t17 h ALA 142 CO 0.01 0.25 -0.67 0.37 0.00 0.00 0.00 179.25 179.22 1t17 h GLN 143 N 0.52 0.21 -0.07 0.00 4.15 -0.62 -0.11 115.11 119.20 1t17 h GLN 143 Ca 0.12 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 1t17 h GLN 143 Cb 0.37 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1t17 h GLN 143 CO 0.01 0.80 -0.45 0.37 -1.93 0.00 0.00 178.83 177.62 1t17 h GLN 144 N 0.15 0.16 0.00 1.69 4.15 0.19 1.07 115.11 122.52 1t17 h GLN 144 Ca -0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1t17 h GLN 144 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1t17 h GLN 144 CO 0.10 0.59 -0.00 1.25 -1.93 0.00 0.00 178.83 178.84 1t17 h LEU 145 N 0.13 -0.00 -1.53 -2.39 5.85 -0.64 -3.24 115.31 113.49 1t17 h LEU 145 Ca 0.01 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1t17 h LEU 145 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1t17 h LEU 145 CO 0.07 0.72 -0.24 0.45 -0.34 0.00 0.00 178.44 179.10 1t17 h HIS 146 N -1.00 0.00 0.14 1.25 3.86 -1.05 -3.00 115.15 115.35 1t17 h HIS 146 Ca -0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1t17 h HIS 146 Cb 0.45 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 1t17 h HIS 146 CO 0.13 0.24 -0.42 0.78 0.86 0.00 0.00 177.93 179.51 1t17 h GLY 147 N 0.72 -0.87 0.00 2.45 0.00 0.11 -3.50 103.07 101.98 1t17 h GLY 147 Ca -0.00 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1t17 h GLY 147 CO 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.30