#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 -0.20 -3.76 2.03 -0.00 -1.24 -4.74 115.22 107.32 1t17 n HIS 2 Ca 0.00 0.94 -0.25 0.00 -0.00 0.00 0.00 57.72 58.41 1t17 n HIS 2 Cb 0.00 -2.00 -0.17 0.00 -0.00 0.00 0.00 29.99 27.81 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 -0.99 0.62 -0.15 -0.41 3.52 -1.26 -3.17 118.95 117.10 1t17 s ARG 3 Ca 0.65 -0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 56.13 1t17 s ARG 3 Cb -0.92 -1.38 -0.03 0.00 -1.56 0.00 0.00 34.95 31.05 1t17 s ARG 3 CO 0.56 -0.42 0.01 -1.01 -0.81 0.00 0.00 175.30 173.63 1t17 s HIS 4 N 1.94 3.13 -0.13 5.12 3.76 0.18 -4.96 115.29 124.33 1t17 s HIS 4 Ca 0.03 -0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 54.84 1t17 s HIS 4 Cb -0.14 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 1t17 s HIS 4 CO -0.06 0.13 -0.03 0.54 -0.85 0.00 0.00 174.74 174.47 1t17 s VAL 5 N 0.12 3.97 -0.28 -0.90 0.11 -1.26 -1.10 120.40 121.06 1t17 s VAL 5 Ca 0.02 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1t17 s VAL 5 Cb -0.13 -2.71 0.09 0.00 -1.53 0.00 0.00 36.38 32.10 1t17 s VAL 5 CO 0.02 0.53 0.05 -0.69 -3.33 0.00 0.00 175.10 171.67 1t17 s VAL 6 N -0.02 1.24 -0.09 2.04 1.01 -0.22 -4.99 120.40 119.36 1t17 s VAL 6 Ca 0.01 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1t17 s VAL 6 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1t17 s VAL 6 CO 0.02 -0.48 -0.11 -0.89 0.00 0.00 0.00 175.10 173.65 1t17 s THR 7 N 1.47 3.32 0.21 3.92 2.01 -1.26 -0.47 115.64 124.83 1t17 s THR 7 Ca 0.05 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1t17 s THR 7 Cb -0.18 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1t17 s THR 7 CO -0.16 0.56 0.24 -1.59 -0.69 0.00 0.00 174.62 172.98 1t17 s LYS 8 N -0.24 1.29 -0.06 4.92 0.00 -0.53 -5.02 119.74 120.09 1t17 s LYS 8 Ca 0.02 -1.47 -0.00 0.00 0.00 0.00 0.00 55.97 54.52 1t17 s LYS 8 Cb -0.13 0.34 0.03 0.00 0.00 0.00 0.00 37.83 38.06 1t17 s LYS 8 CO 0.03 -0.46 -0.02 0.08 0.00 0.00 0.00 175.35 174.97 1t17 s VAL 9 N -4.10 0.46 -0.14 1.79 1.01 -1.26 -1.38 120.40 116.78 1t17 s VAL 9 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1t17 s VAL 9 Cb 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1t17 s VAL 9 CO 0.10 0.24 -0.12 -0.76 0.00 0.00 0.00 175.10 174.56 1t17 s LEU 10 N 1.46 1.55 -1.20 3.92 1.43 -0.60 -4.97 118.68 120.27 1t17 s LEU 10 Ca -0.03 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 1t17 s LEU 10 Cb -0.13 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1t17 s LEU 10 CO -0.03 -0.07 1.91 -0.81 0.23 0.00 0.00 176.35 177.58 1t17 n PRO 11 N 4.81 2.34 -3.53 1.29 -0.04 -1.26 -1.68 135.00 136.94 1t17 n PRO 11 Ca -0.16 -2.68 -0.12 0.00 -0.04 0.00 0.00 63.50 60.51 1t17 n PRO 11 Cb 0.50 -3.45 -0.02 0.00 -0.04 0.00 0.00 33.50 30.49 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 9.91 -1.36 -1.68 0.54 4.01 -1.26 -4.91 117.16 122.41 1t17 n TYR 12 Ca 0.48 -1.90 -0.31 0.00 -0.16 0.00 0.00 57.90 56.02 1t17 n TYR 12 Cb 0.44 0.49 0.05 0.00 -0.31 0.00 0.00 39.34 40.00 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 -2.70 3.99 -2.00 -0.72 -4.23 -1.26 -4.29 115.64 104.43 1t17 s THR 13 Ca 0.23 0.65 0.22 0.00 -1.18 0.00 0.00 61.69 61.61 1t17 s THR 13 Cb -0.01 -3.48 0.63 0.00 1.34 0.00 0.00 72.50 70.98 1t17 s THR 13 CO 0.16 -0.85 1.72 -0.81 -0.54 0.00 0.00 174.62 174.30 1t17 n PRO 14 N -3.07 0.75 -0.07 3.99 -0.04 -1.26 -3.11 135.00 132.20 1t17 n PRO 14 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1t17 n PRO 14 Cb 0.54 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.47 -0.24 3.54 1.82 -2.01 -2.62 116.42 117.38 1t17 h ASP 15 Ca 0.00 -0.46 0.07 0.00 -0.39 0.00 0.00 57.03 56.25 1t17 h ASP 15 Cb 0.00 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 1t17 h ASP 15 CO 0.00 0.83 0.44 1.56 -1.61 0.00 0.00 179.24 180.46 1t17 h GLN 16 N 0.11 0.00 -0.04 0.28 4.20 -1.94 0.53 115.11 118.25 1t17 h GLN 16 Ca 0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 1t17 h GLN 16 Cb 0.68 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.48 1t17 h GLN 16 CO 0.04 0.00 -0.77 -0.07 -0.67 0.00 0.00 178.83 177.36 1t17 h LEU 17 N 0.00 0.74 -1.26 1.46 3.38 -1.68 -2.98 115.31 114.98 1t17 h LEU 17 Ca 0.11 -0.71 0.34 0.00 0.09 0.00 0.00 57.88 57.71 1t17 h LEU 17 Cb 1.00 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 1t17 h LEU 17 CO -0.00 1.35 0.70 0.15 0.09 0.00 0.00 178.44 180.73 1t17 h PHE 18 N 0.20 0.70 0.08 1.13 3.04 0.12 1.93 116.94 124.15 1t17 h PHE 18 Ca -0.08 0.03 -0.25 0.00 3.98 0.00 0.00 57.97 61.64 1t17 h PHE 18 Cb 1.44 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 1t17 h PHE 18 CO 0.12 -0.11 -1.13 0.93 -2.02 0.00 0.00 178.31 176.09 1t17 h GLU 19 N 0.26 0.22 -0.20 1.11 5.08 -1.54 -2.84 114.58 116.67 1t17 h GLU 19 Ca 0.72 -0.35 -0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1t17 h GLU 19 Cb 1.94 0.12 0.01 0.00 0.50 0.00 0.00 28.75 31.32 1t17 h GLU 19 CO -0.44 1.14 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.95 1t17 h LEU 20 N 0.08 0.92 -0.93 1.33 -0.00 0.13 0.32 115.31 117.15 1t17 h LEU 20 Ca -0.10 -0.56 -0.01 0.00 -0.00 0.00 0.00 57.88 57.22 1t17 h LEU 20 Cb 1.85 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 42.19 1t17 h LEU 20 CO 0.18 1.35 0.54 0.58 -0.00 0.00 0.00 178.44 181.10 1t17 h VAL 21 N 0.57 1.26 -0.64 1.22 2.07 0.24 -1.46 116.25 119.52 1t17 h VAL 21 Ca -0.03 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1t17 h VAL 21 Cb 1.30 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1t17 h VAL 21 CO 0.14 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.62 1t17 n GLY 22 N -1.20 2.81 0.36 2.17 0.00 -1.07 -4.45 105.19 103.81 1t17 n GLY 22 Ca 0.10 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.39 1t17 n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t17 h ASP 23 N 4.09 0.00 0.42 1.61 3.58 0.77 2.14 116.42 129.03 1t17 h ASP 23 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t17 h ASP 23 Cb 1.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.61 1t17 h ASP 23 CO 0.28 0.00 0.00 1.33 -2.88 0.00 0.00 179.24 177.97 1t17 n VAL 24 N -3.03 1.11 -2.02 2.25 0.24 -1.26 -3.09 118.33 112.52 1t17 n VAL 24 Ca 0.02 0.36 -0.04 0.00 -2.04 0.00 0.00 64.34 62.65 1t17 n VAL 24 Cb 0.61 -1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 31.69 1t17 n VAL 24 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1t17 n ASP 25 N -1.88 -0.49 0.00 -1.34 2.03 0.64 -4.36 116.55 111.15 1t17 n ASP 25 Ca 0.02 -1.62 0.00 0.00 0.52 0.00 0.00 54.79 53.70 1t17 n ASP 25 Cb 0.14 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.02 0.62 -2.80 -1.67 0.00 0.33 -5.05 120.51 111.97 1t17 n ALA 26 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1t17 n ALA 26 Cb 0.65 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 0.66 0.00 0.00 0.00 177.50 178.16 1t17 n TYR 27 N -0.24 -3.26 0.93 0.00 4.01 -1.26 -4.84 117.16 112.49 1t17 n TYR 27 Ca 0.00 1.52 0.11 0.00 -0.16 0.00 0.00 57.90 59.37 1t17 n TYR 27 Cb 0.00 -3.40 0.52 0.00 -0.31 0.00 0.00 39.34 36.15 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1t17 n PRO 28 N 0.99 0.18 0.02 -0.72 -0.04 -1.26 -4.60 135.00 129.56 1t17 n PRO 28 Ca -0.05 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1t17 n PRO 28 Cb 0.17 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.38 0.00 -3.69 0.54 4.76 -1.26 -5.18 118.16 111.95 1t17 n LYS 29 Ca 0.08 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.56 1t17 n LYS 29 Cb 0.21 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.41 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 -1.09 -0.00 -0.21 2.13 -0.71 -1.26 -5.14 117.98 111.68 1t17 s PHE 30 Ca 0.00 -0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 55.83 1t17 s PHE 30 Cb 0.00 0.51 0.10 0.00 -1.21 0.00 0.00 43.02 42.42 1t17 s PHE 30 CO 0.00 -0.06 0.22 0.08 -1.34 0.00 0.00 175.22 174.11 1t17 s VAL 31 N -2.07 -0.30 0.15 -2.49 1.01 -1.26 -5.01 120.40 110.43 1t17 s VAL 31 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1t17 s VAL 31 Cb 0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 36.38 35.56 1t17 s VAL 31 CO -0.05 -0.27 1.36 1.55 0.00 0.00 0.00 175.10 177.69 1t17 h PRO 32 N 8.32 0.39 0.00 2.72 0.13 -1.97 -2.81 132.00 138.77 1t17 h PRO 32 Ca -0.17 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1t17 h PRO 32 Cb 1.14 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1t17 h PRO 32 CO 0.30 1.04 0.06 0.11 -0.23 0.00 0.00 178.00 179.28 1t17 h TRP 33 N 0.24 0.00 -3.02 1.56 0.09 -1.94 -3.42 115.95 109.46 1t17 h TRP 33 Ca -0.06 0.00 -0.54 0.00 0.09 0.00 0.00 58.89 58.38 1t17 h TRP 33 Cb 1.46 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.57 1t17 h TRP 33 CO 0.05 0.00 -0.51 -1.50 0.09 0.00 0.00 178.44 176.57 1t17 s ILE 34 N -3.66 0.49 0.00 0.12 2.07 -1.06 -4.85 121.20 114.32 1t17 s ILE 34 Ca -0.03 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.21 1t17 s ILE 34 Cb 0.07 -2.37 0.00 0.00 0.13 0.00 0.00 42.46 40.29 1t17 s ILE 34 CO 0.23 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.33 1t17 n THR 35 N -0.86 0.00 -3.96 4.00 5.66 -1.24 -4.68 114.28 113.20 1t17 n THR 35 Ca -0.04 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.67 1t17 n THR 35 Cb 0.65 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.38 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 -0.54 1.99 -0.04 1.09 0.00 -1.26 -4.93 107.32 103.63 1t17 s GLY 36 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 1t17 s GLY 36 CO 0.00 -0.94 0.75 -3.16 0.00 0.00 0.00 173.10 169.75 1t17 s MET 37 N -2.75 0.98 -0.16 2.90 0.00 -1.26 0.60 119.30 119.62 1t17 s MET 37 Ca 0.34 0.08 -0.11 0.00 0.00 0.00 0.00 55.69 56.00 1t17 s MET 37 Cb -0.12 0.46 0.05 0.00 0.00 0.00 0.00 34.83 35.22 1t17 s MET 37 CO 0.27 -0.34 0.40 1.03 0.00 0.00 0.00 175.02 176.38 1t17 s ARG 38 N -1.72 0.40 -0.13 3.16 0.52 -0.56 -4.97 118.95 115.65 1t17 s ARG 38 Ca -0.06 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1t17 s ARG 38 Cb -0.00 0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.54 1t17 s ARG 38 CO 0.03 -0.12 -0.12 0.95 0.02 0.00 0.00 175.30 176.06 1t17 s THR 39 N 1.00 1.38 0.00 0.02 -4.23 -1.26 -0.94 115.64 111.61 1t17 s THR 39 Ca -0.06 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1t17 s THR 39 Cb -0.07 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1t17 s THR 39 CO -0.08 0.43 0.00 -2.67 -0.54 0.00 0.00 174.62 171.75 1t17 n TRP 40 N 4.81 0.00 -2.27 3.99 2.14 -0.87 -4.99 117.44 120.25 1t17 n TRP 40 Ca -0.15 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.37 1t17 n TRP 40 Cb 0.50 0.00 -0.03 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 -1.04 0.00 -0.67 3.02 -1.26 -1.53 115.26 113.78 1t17 n ASN 41 Ca 0.00 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1t17 n ASN 41 Cb 0.00 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 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 1.24 -0.80 3.08 7.41 0.00 -1.26 -1.13 105.19 113.73 1t17 n GLY 42 Ca -0.30 -0.25 -0.10 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 0.51 -0.13 1.61 1.70 0.91 -4.98 118.95 117.91 1t17 s ARG 43 Ca 0.00 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 54.61 1t17 s ARG 43 Cb 0.00 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.59 1t17 s ARG 43 CO 0.00 -0.12 -0.19 0.54 -1.08 0.00 0.00 175.30 174.46 1t17 s VAL 44 N -2.18 1.80 -0.04 4.99 0.11 -1.26 -1.20 120.40 122.61 1t17 s VAL 44 Ca -0.09 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1t17 s VAL 44 Cb -0.04 -1.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1t17 s VAL 44 CO -0.03 0.50 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.56 1t17 s ASP 45 N 0.94 1.10 0.36 3.54 2.15 -0.28 -5.02 116.67 119.46 1t17 s ASP 45 Ca -0.06 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1t17 s ASP 45 Cb -0.15 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 41.97 1t17 s ASP 45 CO -0.03 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 1t17 n GLY 46 N 3.88 2.47 1.95 2.66 0.00 -1.26 0.52 105.19 115.41 1t17 n GLY 46 Ca -0.24 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 7.46 5.12 -2.81 4.61 0.00 -1.26 -4.86 120.51 128.78 1t17 n ALA 47 Ca 0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 53.44 51.16 1t17 n ALA 47 Cb 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.75 0.67 -0.05 0.00 1.01 0.18 -0.46 120.40 119.00 1t17 s VAL 48 Ca 0.41 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1t17 s VAL 48 Cb 0.33 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 36.05 1t17 s VAL 48 CO 0.03 -0.27 0.10 -0.55 0.00 0.00 0.00 175.10 174.42 1t17 s SER 49 N -1.40 -0.06 -0.08 3.32 0.15 0.90 -1.12 113.70 115.41 1t17 s SER 49 Ca -0.06 0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.80 1t17 s SER 49 Cb -0.09 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1t17 s SER 49 CO 0.01 -0.13 -0.08 -0.89 1.20 0.00 0.00 173.24 173.35 1t17 s THR 50 N 0.97 0.94 0.27 6.45 2.01 -0.34 -0.22 115.64 125.72 1t17 s THR 50 Ca -0.08 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 1t17 s THR 50 Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1t17 s THR 50 CO -0.04 0.33 0.50 0.68 -0.69 0.00 0.00 174.62 175.40 1t17 s VAL 51 N 1.24 0.00 0.15 3.82 -7.23 -0.47 -0.06 120.40 117.84 1t17 s VAL 51 Ca -0.04 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1t17 s VAL 51 Cb -0.14 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.42 1t17 s VAL 51 CO -0.02 0.00 0.98 -1.81 -0.31 0.00 0.00 175.10 173.93 1t17 s ASP 52 N -3.05 7.50 -0.26 4.85 1.01 -0.28 0.43 116.67 126.87 1t17 s ASP 52 Ca 0.23 1.88 0.02 0.00 0.71 0.00 0.00 52.55 55.39 1t17 s ASP 52 Cb -0.01 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1t17 s ASP 52 CO 0.11 -0.03 -0.05 0.00 0.21 0.00 0.00 175.17 175.40 1t17 s ALA 53 N -0.34 2.32 -0.50 5.23 0.00 0.52 -2.04 121.76 126.94 1t17 s ALA 53 Ca 0.46 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1t17 s ALA 53 Cb -0.25 -1.58 0.12 0.00 0.00 0.00 0.00 23.12 21.42 1t17 s ALA 53 CO 0.31 -1.29 0.41 -2.00 0.00 0.00 0.00 175.76 173.20 1t17 s GLU 54 N 1.22 2.70 0.49 0.00 2.12 -0.11 -0.76 118.70 124.36 1t17 s GLU 54 Ca -0.04 -1.75 0.06 0.00 0.36 0.00 0.00 54.97 53.60 1t17 s GLU 54 Cb -0.19 -4.09 0.03 0.00 0.26 0.00 0.00 34.13 30.14 1t17 s GLU 54 CO -0.07 -1.25 0.68 0.00 -0.54 0.00 0.00 175.26 174.07 1t17 s ALA 55 N 1.45 4.33 0.30 6.30 0.00 -0.43 -1.50 121.76 132.22 1t17 s ALA 55 Ca 0.05 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.40 1t17 s ALA 55 Cb -0.28 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1t17 s ALA 55 CO 0.01 -0.55 0.17 -0.65 0.00 0.00 0.00 175.76 174.75 1t17 s GLN 56 N -4.55 1.58 -0.09 0.00 -0.21 0.20 -1.72 119.66 114.87 1t17 s GLN 56 Ca 0.57 -1.90 0.00 0.00 0.02 0.00 0.00 55.36 54.05 1t17 s GLN 56 Cb -0.09 0.00 0.02 0.00 1.00 0.00 0.00 33.01 33.94 1t17 s GLN 56 CO 0.36 -0.48 -0.08 0.14 -2.12 0.00 0.00 175.29 173.11 1t17 s VAL 57 N -3.64 0.96 0.15 1.09 -7.23 -1.23 -3.70 120.40 106.79 1t17 s VAL 57 Ca 0.37 -0.29 0.09 0.00 -1.81 0.00 0.00 61.98 60.34 1t17 s VAL 57 Cb 0.05 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1t17 s VAL 57 CO 0.18 0.34 -0.21 -0.83 -0.31 0.00 0.00 175.10 174.28 1t17 s GLY 58 N 1.38 1.42 -1.06 2.32 0.00 -1.26 -4.34 107.32 105.78 1t17 s GLY 58 Ca -0.02 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1t17 s GLY 58 CO -0.04 -1.48 0.00 0.33 0.00 0.00 0.00 173.10 171.91 1t17 n PHE 59 N 0.54 -0.03 -0.12 1.90 7.35 -1.26 -4.76 117.46 121.08 1t17 n PHE 59 Ca -0.15 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.65 1t17 n PHE 59 Cb 0.56 -2.63 0.26 0.00 0.35 0.00 0.00 39.48 38.02 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 -0.99 3.65 0.00 -2.13 3.41 -1.26 -4.92 113.62 111.38 1t17 n SER 60 Ca -0.10 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1t17 n SER 60 Cb 0.56 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.45 0.00 -3.52 7.33 7.35 -1.26 -4.88 117.46 123.93 1t17 n PHE 61 Ca 0.21 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.61 1t17 n PHE 61 Cb 0.59 -1.68 -0.13 0.00 0.35 0.00 0.00 39.48 38.60 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 0.98 -0.89 -2.13 0.20 -1.26 -5.08 118.68 110.51 1t17 s LEU 62 Ca 0.00 -1.86 -0.24 0.00 0.69 0.00 0.00 54.13 52.72 1t17 s LEU 62 Cb 0.00 -0.44 0.05 0.00 -0.43 0.00 0.00 46.19 45.37 1t17 s LEU 62 CO 0.00 -0.36 1.32 -0.13 -0.29 0.00 0.00 176.35 176.89 1t17 s ARG 63 N 1.43 3.42 -0.07 1.98 1.81 -1.26 -4.68 118.95 121.57 1t17 s ARG 63 Ca 0.14 -0.88 -0.04 0.00 -1.72 0.00 0.00 55.73 53.23 1t17 s ARG 63 Cb -0.20 -4.83 0.03 0.00 -0.45 0.00 0.00 34.95 29.50 1t17 s ARG 63 CO -0.14 -2.11 0.18 -1.21 -0.68 0.00 0.00 175.30 171.34 1t17 s GLU 64 N 4.89 0.15 0.26 3.54 2.02 -1.26 -5.06 118.70 123.25 1t17 s GLU 64 Ca 0.39 0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.75 1t17 s GLU 64 Cb -0.05 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.05 1t17 s GLU 64 CO -0.00 -0.13 0.47 -1.59 0.02 0.00 0.00 175.26 174.03 1t17 s LYS 65 N 0.91 3.52 0.02 1.61 -2.85 -1.26 -3.54 119.74 118.15 1t17 s LYS 65 Ca -0.07 -0.30 -0.10 0.00 -1.00 0.00 0.00 55.97 54.50 1t17 s LYS 65 Cb -0.08 -2.75 0.01 0.00 -2.06 0.00 0.00 37.83 32.94 1t17 s LYS 65 CO -0.05 0.29 0.20 -0.06 0.10 0.00 0.00 175.35 175.83 1t17 s PHE 66 N -2.05 0.01 0.00 1.78 0.08 -0.70 -4.95 117.98 112.15 1t17 s PHE 66 Ca 0.40 -0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.36 1t17 s PHE 66 Cb -0.10 -0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.32 1t17 s PHE 66 CO 0.31 -0.39 -0.17 0.00 -0.10 0.00 0.00 175.22 174.87 1t17 s ALA 67 N -2.06 1.45 0.09 5.36 0.00 -1.26 -1.32 121.76 124.02 1t17 s ALA 67 Ca -0.09 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1t17 s ALA 67 Cb -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1t17 s ALA 67 CO -0.01 0.34 0.40 0.95 0.00 0.00 0.00 175.76 177.44 1t17 s THR 68 N -0.51 0.07 -0.47 0.00 -4.23 0.06 -1.11 115.64 109.45 1t17 s THR 68 Ca 0.06 -0.54 -0.27 0.00 -1.18 0.00 0.00 61.69 59.76 1t17 s THR 68 Cb -0.07 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.71 1t17 s THR 68 CO -0.00 -0.30 1.03 -0.60 -0.54 0.00 0.00 174.62 174.21 1t17 s ARG 69 N -3.27 3.61 -0.01 3.99 6.06 0.23 0.20 118.95 129.76 1t17 s ARG 69 Ca -0.00 0.33 -0.19 0.00 -2.50 0.00 0.00 55.73 53.37 1t17 s ARG 69 Cb 0.01 -3.92 -0.05 0.00 0.06 0.00 0.00 34.95 31.04 1t17 s ARG 69 CO -0.08 -1.31 0.56 0.54 -2.50 0.00 0.00 175.30 172.50 1t17 s VAL 70 N 4.10 4.93 -0.08 7.11 0.11 0.17 -1.41 120.40 135.33 1t17 s VAL 70 Ca 0.42 1.16 0.02 0.00 -2.93 0.00 0.00 61.98 60.65 1t17 s VAL 70 Cb -0.09 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 30.89 1t17 s VAL 70 CO 0.29 0.44 -0.13 -0.13 -3.33 0.00 0.00 175.10 172.24 1t17 s ARG 71 N -0.32 1.87 0.06 1.54 0.52 0.18 -1.37 118.95 121.42 1t17 s ARG 71 Ca 0.29 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 1t17 s ARG 71 Cb -0.18 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 1t17 s ARG 71 CO 0.16 0.00 -0.17 -0.98 0.02 0.00 0.00 175.30 174.34 1t17 s ARG 72 N 0.76 1.06 -0.12 3.54 1.70 0.70 -1.45 118.95 125.14 1t17 s ARG 72 Ca -0.12 -0.91 -0.04 0.00 -0.47 0.00 0.00 55.73 54.19 1t17 s ARG 72 Cb -0.16 -1.15 0.06 0.00 -0.57 0.00 0.00 34.95 33.13 1t17 s ARG 72 CO 0.03 0.28 0.16 0.34 -1.08 0.00 0.00 175.30 175.02 1t17 s ASP 73 N -1.38 1.08 0.09 -2.89 -1.08 -1.10 -0.07 116.67 111.32 1t17 s ASP 73 Ca 0.03 0.10 0.27 0.00 -0.52 0.00 0.00 52.55 52.43 1t17 s ASP 73 Cb -0.09 0.22 0.91 0.00 -1.46 0.00 0.00 42.92 42.50 1t17 s ASP 73 CO 0.02 -0.27 1.75 2.29 0.52 0.00 0.00 175.17 179.48 1t17 n LYS 74 N 5.32 0.12 0.00 4.34 2.85 0.39 0.65 118.16 131.83 1t17 n LYS 74 Ca -0.05 0.08 -0.01 0.00 -1.05 0.00 0.00 58.31 57.29 1t17 n LYS 74 Cb 0.50 -1.63 -0.11 0.00 -0.65 0.00 0.00 35.03 33.14 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 -1.83 0.58 -0.03 -5.58 8.00 -1.22 -4.15 116.55 112.32 1t17 n ASP 75 Ca 0.06 0.26 0.06 0.00 0.71 0.00 0.00 54.79 55.88 1t17 n ASP 75 Cb 0.38 0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 41.88 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t17 n ALA 76 N -2.45 2.48 -3.17 2.24 0.00 -1.18 -4.99 120.51 113.45 1t17 n ALA 76 Ca -0.13 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.41 1t17 n ALA 76 Cb 0.87 -0.58 0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.33 -5.72 -4.25 0.00 0.63 0.21 -4.99 116.66 100.21 1t17 n ARG 77 Ca -0.10 0.90 -0.14 0.00 -0.92 0.00 0.00 57.85 57.59 1t17 n ARG 77 Cb 0.67 -5.82 -0.10 0.00 0.45 0.00 0.00 32.46 27.66 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 1.59 -0.01 6.15 1.04 -1.16 -4.25 113.70 114.20 1t17 s SER 78 Ca 0.38 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.76 1t17 s SER 78 Cb -0.17 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1t17 s SER 78 CO 0.47 -0.42 -0.09 -0.63 0.98 0.00 0.00 173.24 173.55 1t17 s ILE 79 N -3.45 0.70 -0.06 -1.02 -1.09 -0.29 -2.70 121.20 113.30 1t17 s ILE 79 Ca 0.19 -0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1t17 s ILE 79 Cb 0.04 -0.59 0.02 0.00 -1.58 0.00 0.00 42.46 40.35 1t17 s ILE 79 CO 0.01 0.20 0.16 -0.62 -1.23 0.00 0.00 174.94 173.46 1t17 s ASP 80 N -0.20 -0.16 -0.02 3.58 2.15 -0.53 -0.77 116.67 120.72 1t17 s ASP 80 Ca 0.03 0.31 0.02 0.00 0.43 0.00 0.00 52.55 53.34 1t17 s ASP 80 Cb -0.04 0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.91 1t17 s ASP 80 CO -0.00 -0.06 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.19 1t17 s VAL 81 N 0.06 0.55 0.26 1.11 1.01 0.51 0.49 120.40 124.39 1t17 s VAL 81 Ca -0.00 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 61.86 1t17 s VAL 81 Cb -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1t17 s VAL 81 CO 0.00 0.18 -0.20 -0.44 0.00 0.00 0.00 175.10 174.65 1t17 s SER 82 N 0.25 3.60 0.22 3.32 0.01 -0.50 -1.42 113.70 119.17 1t17 s SER 82 Ca -0.03 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.96 1t17 s SER 82 Cb -0.07 -0.31 -0.09 0.00 0.21 0.00 0.00 66.02 65.75 1t17 s SER 82 CO -0.00 0.06 1.38 -0.22 0.41 0.00 0.00 173.24 174.87 1t17 s LEU 83 N -3.31 4.40 0.13 2.44 1.98 -1.12 -0.60 118.68 122.60 1t17 s LEU 83 Ca 0.28 2.53 0.00 0.00 -2.89 0.00 0.00 54.13 54.05 1t17 s LEU 83 Cb -0.06 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.18 1t17 s LEU 83 CO 0.14 -0.62 0.00 -0.11 -1.89 0.00 0.00 176.35 173.87 1t17 n LEU 84 N 2.57 0.78 0.00 -0.68 -0.00 -1.12 -4.69 117.00 113.86 1t17 n LEU 84 Ca 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1t17 n LEU 84 Cb 0.41 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1t17 n LEU 84 CO 0.59 -0.75 0.11 -1.22 -0.00 0.00 0.00 177.39 176.12 1t17 n TYR 85 N -3.44 0.00 0.00 1.96 4.02 -0.26 -4.98 117.16 114.46 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1t17 n TYR 85 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t17 n GLY 86 N 0.14 -3.21 3.70 2.72 0.00 -0.39 -4.56 105.19 103.59 1t17 n GLY 86 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 4.40 -1.38 1.61 0.04 -1.26 -4.91 135.00 133.50 1t17 s PRO 87 Ca 0.00 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1t17 s PRO 87 Cb 0.00 -3.46 0.08 0.00 0.04 0.00 0.00 34.50 31.16 1t17 s PRO 87 CO 0.00 -0.34 2.02 1.19 0.04 0.00 0.00 177.00 179.91 1t17 n PHE 88 N 4.56 3.67 0.05 0.56 3.01 -1.26 -3.69 117.46 124.37 1t17 n PHE 88 Ca 0.10 -2.94 0.00 0.00 1.01 0.00 0.00 57.45 55.62 1t17 n PHE 88 Cb 0.46 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.52 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 5.93 0.00 0.00 -1.08 0.00 -1.26 -5.15 118.16 116.60 1t17 n LYS 89 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.79 1t17 n LYS 89 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1t17 n LYS 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1t17 n ARG 90 N -2.66 0.00 -3.65 1.64 0.63 -1.24 -5.01 116.66 106.36 1t17 n ARG 90 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 1t17 n ARG 90 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1t17 n ARG 90 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1t17 s LEU 91 N 0.00 -0.18 -0.04 6.15 0.20 -1.26 -0.70 118.68 122.85 1t17 s LEU 91 Ca 0.00 0.29 -0.18 0.00 0.69 0.00 0.00 54.13 54.93 1t17 s LEU 91 Cb 0.00 1.27 0.04 0.00 -0.43 0.00 0.00 46.19 47.06 1t17 s LEU 91 CO 0.00 -0.05 0.40 0.20 -0.29 0.00 0.00 176.35 176.62 1t17 s ASN 92 N 1.02 -0.33 -0.03 3.68 0.01 0.46 -2.80 114.94 116.96 1t17 s ASN 92 Ca -0.07 0.33 -0.15 0.00 -0.71 0.00 0.00 52.86 52.26 1t17 s ASN 92 Cb -0.03 0.44 0.03 0.00 0.41 0.00 0.00 41.25 42.10 1t17 s ASN 92 CO -0.11 -0.44 0.33 0.20 -1.51 0.00 0.00 177.10 175.57 1t17 s ASN 93 N -1.07 -0.22 -0.12 -1.22 -0.87 -0.51 -0.06 114.94 110.87 1t17 s ASN 93 Ca -0.11 0.16 -0.30 0.00 -1.57 0.00 0.00 52.86 51.05 1t17 s ASN 93 Cb -0.04 0.36 0.09 0.00 -0.02 0.00 0.00 41.25 41.64 1t17 s ASN 93 CO 0.05 -0.42 0.80 -0.83 -2.57 0.00 0.00 177.10 174.12 1t17 s GLY 94 N -1.18 -0.46 -0.13 0.66 0.00 -1.02 0.19 107.32 105.38 1t17 s GLY 94 Ca -0.12 1.70 0.02 0.00 0.00 0.00 0.00 44.72 46.32 1t17 s GLY 94 CO 0.04 1.14 -0.21 -0.98 0.00 0.00 0.00 173.10 173.09 1t17 s TRP 95 N -0.87 2.66 0.07 1.90 0.52 0.05 -1.56 118.94 121.71 1t17 s TRP 95 Ca -0.06 -1.19 0.08 0.00 0.02 0.00 0.00 56.10 54.95 1t17 s TRP 95 Cb -0.01 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1t17 s TRP 95 CO 0.05 -0.52 -0.19 1.03 0.02 0.00 0.00 176.95 177.34 1t17 s ARG 96 N 0.66 1.92 -0.19 4.98 1.81 0.13 -1.13 118.95 127.14 1t17 s ARG 96 Ca -0.10 -1.07 -0.04 0.00 -1.72 0.00 0.00 55.73 52.79 1t17 s ARG 96 Cb -0.16 -2.13 0.09 0.00 -0.45 0.00 0.00 34.95 32.30 1t17 s ARG 96 CO 0.02 0.51 0.22 -0.06 -0.68 0.00 0.00 175.30 175.31 1t17 s PHE 97 N -0.99 -0.28 -0.03 -0.53 0.08 -1.26 -0.38 117.98 114.59 1t17 s PHE 97 Ca 0.15 0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.57 1t17 s PHE 97 Cb -0.10 -0.32 -0.00 0.00 -0.57 0.00 0.00 43.02 42.02 1t17 s PHE 97 CO 0.06 -0.55 -0.14 1.41 -0.10 0.00 0.00 175.22 175.90 1t17 s MET 98 N 2.33 1.41 0.53 0.44 1.75 0.15 -4.96 119.30 120.96 1t17 s MET 98 Ca 0.06 -0.50 -0.18 0.00 -1.25 0.00 0.00 55.69 53.82 1t17 s MET 98 Cb -0.15 -1.27 -0.06 0.00 2.84 0.00 0.00 34.83 36.18 1t17 s MET 98 CO -0.11 0.22 1.04 -1.25 -0.65 0.00 0.00 175.02 174.27 1t17 s PRO 99 N -0.00 3.61 -0.44 4.11 0.04 -1.26 0.11 135.00 141.18 1t17 s PRO 99 Ca -0.01 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.37 1t17 s PRO 99 Cb -0.09 -2.07 0.30 0.00 0.04 0.00 0.00 34.50 32.67 1t17 s PRO 99 CO 0.01 -0.58 0.88 0.39 0.04 0.00 0.00 177.00 177.74 1t17 n GLU 100 N -1.44 0.90 0.00 4.56 1.02 -0.65 -4.74 120.64 120.28 1t17 n GLU 100 Ca 0.09 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 1t17 n GLU 100 Cb 0.53 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.83 1.05 0.17 0.62 0.00 -1.26 -4.19 105.19 102.41 1t17 n GLY 101 Ca 0.14 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.70 1.61 3.04 -1.99 -3.44 116.42 113.93 1t17 h ASP 102 Ca 0.00 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.30 1t17 h ASP 102 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 1t17 h ASP 102 CO 0.00 0.47 -0.41 0.00 -2.04 0.00 0.00 179.24 177.26 1t17 s ALA 103 N -3.48 3.97 0.08 4.15 0.00 -1.26 -4.29 121.76 120.94 1t17 s ALA 103 Ca 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.32 1t17 s ALA 103 Cb 0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1t17 s ALA 103 CO 0.71 -0.09 -0.23 -0.08 0.00 0.00 0.00 175.76 176.07 1t17 s THR 104 N -2.36 2.49 -0.14 0.00 -1.32 -0.67 -1.64 115.64 111.99 1t17 s THR 104 Ca 0.44 -1.47 -0.05 0.00 -1.21 0.00 0.00 61.69 59.41 1t17 s THR 104 Cb -0.05 -2.07 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 1t17 s THR 104 CO 0.28 0.22 0.02 -0.60 -2.21 0.00 0.00 174.62 172.33 1t17 s ARG 105 N -1.72 3.57 -0.03 7.08 3.52 0.31 -1.56 118.95 130.12 1t17 s ARG 105 Ca 0.14 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.42 1t17 s ARG 105 Cb -0.10 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 1t17 s ARG 105 CO 0.06 0.43 -0.25 0.08 -0.81 0.00 0.00 175.30 174.81 1t17 s VAL 106 N -0.11 1.98 -0.10 7.11 1.01 -0.48 0.35 120.40 130.16 1t17 s VAL 106 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1t17 s VAL 106 Cb -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1t17 s VAL 106 CO 0.02 0.56 -0.09 -1.61 0.00 0.00 0.00 175.10 173.98 1t17 s GLU 107 N -0.46 1.54 -0.22 2.72 2.02 0.49 -1.46 118.70 123.35 1t17 s GLU 107 Ca 0.06 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.73 1t17 s GLU 107 Cb -0.11 -1.50 -0.00 0.00 0.10 0.00 0.00 34.13 32.62 1t17 s GLU 107 CO 0.00 -0.18 -0.06 0.12 0.02 0.00 0.00 175.26 175.16 1t17 s PHE 108 N 1.38 2.94 -0.24 1.61 5.36 0.38 0.19 117.98 129.60 1t17 s PHE 108 Ca -0.01 -1.05 -0.08 0.00 -0.96 0.00 0.00 56.93 54.82 1t17 s PHE 108 Cb -0.14 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1t17 s PHE 108 CO -0.04 -0.59 0.10 0.14 -1.46 0.00 0.00 175.22 173.37 1t17 s VAL 109 N 1.45 4.78 -0.20 3.12 -7.23 -0.60 -1.05 120.40 120.67 1t17 s VAL 109 Ca 0.06 -0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 1t17 s VAL 109 Cb -0.14 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.59 1t17 s VAL 109 CO -0.05 0.35 -0.15 0.27 -0.31 0.00 0.00 175.10 175.22 1t17 s ILE 110 N 1.23 2.49 -0.08 -0.62 -5.25 -0.26 -2.42 121.20 116.29 1t17 s ILE 110 Ca 0.06 -0.82 -0.02 0.00 -0.99 0.00 0.00 60.65 58.87 1t17 s ILE 110 Cb -0.14 -2.09 0.03 0.00 2.95 0.00 0.00 42.46 43.21 1t17 s ILE 110 CO 0.05 0.48 0.02 -1.61 -1.79 0.00 0.00 174.94 172.09 1t17 s GLU 111 N 1.34 0.46 0.07 0.37 2.02 0.92 -0.65 118.70 123.23 1t17 s GLU 111 Ca 0.05 0.09 -0.12 0.00 0.02 0.00 0.00 54.97 55.01 1t17 s GLU 111 Cb -0.14 -1.06 0.01 0.00 0.10 0.00 0.00 34.13 33.05 1t17 s GLU 111 CO -0.10 -0.36 0.27 -0.59 0.02 0.00 0.00 175.26 174.50 1t17 s PHE 112 N 2.01 -0.02 -0.21 1.61 -0.12 -1.19 0.17 117.98 120.23 1t17 s PHE 112 Ca 0.04 -0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 56.64 1t17 s PHE 112 Cb -0.13 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 1t17 s PHE 112 CO -0.05 -0.54 -0.05 0.00 -0.05 0.00 0.00 175.22 174.53 1t17 s ALA 113 N -3.15 2.80 0.36 1.99 0.00 0.13 -3.71 121.76 120.17 1t17 s ALA 113 Ca -0.01 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1t17 s ALA 113 Cb 0.01 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1t17 s ALA 113 CO -0.07 -0.35 0.55 -0.06 0.00 0.00 0.00 175.76 175.82 1t17 s PHE 114 N 1.35 3.39 -0.14 0.00 0.08 -1.26 -4.88 117.98 116.52 1t17 s PHE 114 Ca 0.04 0.22 -0.20 0.00 0.12 0.00 0.00 56.93 57.11 1t17 s PHE 114 Cb -0.14 -1.96 -0.17 0.00 -0.57 0.00 0.00 43.02 40.17 1t17 s PHE 114 CO -0.03 0.03 0.44 0.87 -0.10 0.00 0.00 175.22 176.44 1t17 h LYS 115 N 0.73 0.00 -6.04 0.44 6.56 -1.99 -3.45 116.57 112.83 1t17 h LYS 115 Ca -0.49 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.54 1t17 h LYS 115 Cb 1.23 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.84 1t17 h LYS 115 CO 0.59 0.70 0.19 -1.12 -2.06 0.00 0.00 179.45 177.76 1t17 s SER 116 N -6.13 7.01 0.26 0.86 0.01 -1.26 -4.94 113.70 109.51 1t17 s SER 116 Ca -0.16 1.22 0.03 0.00 1.31 0.00 0.00 55.95 58.36 1t17 s SER 116 Cb -0.01 -2.44 0.33 0.00 0.21 0.00 0.00 66.02 64.12 1t17 s SER 116 CO 0.48 -0.21 1.64 0.00 0.41 0.00 0.00 173.24 175.56 1t17 h ALA 117 N 6.94 0.97 -0.18 1.44 0.00 -1.99 0.98 119.26 127.42 1t17 h ALA 117 Ca -0.38 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 1t17 h ALA 117 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t17 h ALA 117 CO 0.77 0.63 -0.05 -0.07 0.00 0.00 0.00 179.25 180.54 1t17 h LEU 118 N 0.29 0.35 -1.36 0.00 -0.00 -2.00 -2.58 115.31 110.02 1t17 h LEU 118 Ca 0.02 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.88 57.49 1t17 h LEU 118 Cb 0.90 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1t17 h LEU 118 CO 0.07 0.64 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.89 1t17 h LEU 119 N 0.05 0.00 0.07 1.67 3.38 -1.94 -0.78 115.31 117.76 1t17 h LEU 119 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1t17 h LEU 119 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1t17 h LEU 119 CO 0.02 0.20 -0.07 -0.78 0.09 0.00 0.00 178.44 177.90 1t17 h ASP 120 N 0.00 -0.18 0.29 -0.43 1.82 -0.41 1.27 116.42 118.78 1t17 h ASP 120 Ca -0.00 0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.45 1t17 h ASP 120 Cb 0.63 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.70 1t17 h ASP 120 CO 0.03 -0.11 -0.84 0.00 -1.61 0.00 0.00 179.24 176.70 1t17 h ALA 121 N 0.77 0.46 -0.12 -0.78 0.00 -1.32 0.28 119.26 118.55 1t17 h ALA 121 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1t17 h ALA 121 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1t17 h ALA 121 CO -0.02 0.79 0.05 1.98 0.00 0.00 0.00 179.25 182.05 1t17 h MET 122 N 0.26 0.18 -0.05 0.00 4.05 -0.78 0.87 114.93 119.45 1t17 h MET 122 Ca -0.06 -0.03 -0.23 0.00 -0.28 0.00 0.00 59.70 59.10 1t17 h MET 122 Cb 1.46 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 32.24 1t17 h MET 122 CO 0.15 0.27 -0.86 -0.07 0.23 0.00 0.00 176.91 176.62 1t17 h LEU 123 N 0.04 0.85 -0.64 3.39 3.38 0.16 -2.63 115.31 119.87 1t17 h LEU 123 Ca 0.04 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1t17 h LEU 123 Cb 0.15 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1t17 h LEU 123 CO -0.00 1.43 0.00 0.00 0.09 0.00 0.00 178.44 179.96 1t17 n ALA 124 N -2.62 1.66 -0.06 1.53 0.00 0.98 -0.40 120.51 121.60 1t17 n ALA 124 Ca -0.10 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1t17 n ALA 124 Cb 0.79 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 2.29 -0.00 0.00 0.00 0.00 0.10 -3.31 119.26 118.33 1t17 h ALA 125 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1t17 h ALA 125 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1t17 h ALA 125 CO 0.00 -0.00 -0.25 -2.95 0.00 0.00 0.00 179.25 176.04 1t17 h ASN 126 N -1.00 0.00 -1.43 0.00 7.08 -1.32 -2.94 115.58 115.97 1t17 h ASN 126 Ca -0.00 0.00 0.46 0.00 -3.08 0.00 0.00 56.30 53.68 1t17 h ASN 126 Cb 0.57 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 36.69 1t17 h ASN 126 CO 0.00 0.25 0.95 1.62 -2.08 0.00 0.00 177.43 178.18 1t17 h VAL 127 N 0.00 0.10 0.23 6.14 3.04 -0.82 1.28 116.25 126.22 1t17 h VAL 127 Ca -0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 1t17 h VAL 127 Cb 0.69 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1t17 h VAL 127 CO 0.03 0.01 -0.11 -0.78 -1.01 0.00 0.00 177.57 175.71 1t17 h ASP 128 N 0.06 -0.26 0.29 3.17 1.82 -1.69 0.16 116.42 119.97 1t17 h ASP 128 Ca 0.84 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 57.31 1t17 h ASP 128 Cb 2.80 0.07 0.00 0.00 0.68 0.00 0.00 39.33 42.88 1t17 h ASP 128 CO -0.34 0.01 -0.15 0.03 -1.61 0.00 0.00 179.24 177.18 1t17 h ARG 129 N -0.55 -0.39 -0.87 0.28 3.08 0.12 -0.02 114.38 116.03 1t17 h ARG 129 Ca -0.03 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.18 1t17 h ARG 129 Cb 0.41 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 1t17 h ARG 129 CO 0.05 -0.26 0.56 0.00 -1.07 0.00 0.00 179.97 179.26 1t17 h ALA 130 N 0.30 1.82 -0.36 0.04 0.00 -0.50 0.71 119.26 121.27 1t17 h ALA 130 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1t17 h ALA 130 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1t17 h ALA 130 CO 0.06 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.39 1t17 h ALA 131 N 1.60 0.47 -0.55 0.00 0.00 0.07 -1.53 119.26 119.31 1t17 h ALA 131 Ca 0.43 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1t17 h ALA 131 Cb 0.66 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1t17 h ALA 131 CO -0.19 0.09 0.22 0.78 0.00 0.00 0.00 179.25 180.15 1t17 h GLY 132 N 0.43 0.76 1.01 0.00 0.00 0.10 -0.25 103.07 105.11 1t17 h GLY 132 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1t17 h GLY 132 CO -0.01 0.03 0.45 0.07 0.00 0.00 0.00 176.54 177.08 1t17 h LYS 133 N 0.43 1.01 -0.92 4.80 2.10 -1.05 0.10 116.57 123.04 1t17 h LYS 133 Ca 0.26 -0.09 0.05 0.00 -2.00 0.00 0.00 60.65 58.88 1t17 h LYS 133 Cb 0.27 -0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 31.33 1t17 h LYS 133 CO -0.24 0.71 0.59 1.37 -2.00 0.00 0.00 179.45 179.87 1t17 h LEU 134 N 1.01 0.94 0.00 7.07 8.10 -0.16 0.29 115.31 132.57 1t17 h LEU 134 Ca 0.27 0.01 -0.00 0.00 0.11 0.00 0.00 57.88 58.26 1t17 h LEU 134 Cb -0.04 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 39.99 1t17 h LEU 134 CO -0.05 0.62 -0.00 0.40 -4.11 0.00 0.00 178.44 175.30 1t17 h ILE 135 N 1.09 1.26 -0.41 0.15 1.08 -0.15 -1.32 117.51 119.20 1t17 h ILE 135 Ca 0.39 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1t17 h ILE 135 Cb 0.12 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1t17 h ILE 135 CO -0.16 0.20 0.29 0.00 -0.69 0.00 0.00 178.15 177.79 1t17 h ALA 136 N 0.66 2.25 0.09 1.87 0.00 -0.17 0.40 119.26 124.36 1t17 h ALA 136 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t17 h ALA 136 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1t17 h ALA 136 CO 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 179.25 178.85 1t17 h PHE 138 N -0.51 0.64 -0.08 0.00 3.57 0.03 0.06 116.94 120.66 1t17 h PHE 138 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1t17 h PHE 138 Cb 0.43 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1t17 h PHE 138 CO 0.05 0.44 0.03 1.49 -2.23 0.00 0.00 178.31 178.09 1t17 h GLU 139 N 0.66 0.13 -0.79 1.11 4.81 -0.25 0.17 114.58 120.40 1t17 h GLU 139 Ca 0.18 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1t17 h GLU 139 Cb -0.03 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 1t17 h GLU 139 CO -0.03 0.26 0.44 0.00 -0.73 0.00 0.00 179.01 178.95 1t17 h ALA 140 N 0.86 1.13 -0.36 2.92 0.00 -0.20 0.12 119.26 123.73 1t17 h ALA 140 Ca 0.03 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1t17 h ALA 140 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1t17 h ALA 140 CO -0.00 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.22 1t17 h ARG 141 N 0.74 0.60 -0.61 0.00 2.47 -0.67 0.38 114.38 117.30 1t17 h ARG 141 Ca 0.39 -0.17 -0.06 0.00 -1.26 0.00 0.00 59.98 58.88 1t17 h ARG 141 Cb 0.37 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1t17 h ARG 141 CO -0.25 0.68 0.14 0.00 0.56 0.00 0.00 179.97 181.11 1t17 h ALA 142 N 1.35 0.80 -0.01 0.04 0.00 0.12 0.45 119.26 122.02 1t17 h ALA 142 Ca 0.10 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1t17 h ALA 142 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1t17 h ALA 142 CO 0.03 0.52 -0.82 0.37 0.00 0.00 0.00 179.25 179.34 1t17 h GLN 143 N 0.89 0.21 -0.18 0.00 4.15 -0.51 -1.31 115.11 118.37 1t17 h GLN 143 Ca 0.19 -0.21 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 1t17 h GLN 143 Cb 0.36 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1t17 h GLN 143 CO 0.00 0.92 -0.57 0.37 -1.93 0.00 0.00 178.83 177.62 1t17 h GLN 144 N 0.13 0.58 0.41 1.69 4.15 0.11 0.96 115.11 123.14 1t17 h GLN 144 Ca -0.04 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 58.99 1t17 h GLN 144 Cb 1.43 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1t17 h GLN 144 CO 0.13 0.99 -0.20 1.25 -1.93 0.00 0.00 178.83 179.07 1t17 h LEU 145 N 0.44 -0.47 0.00 -2.39 6.46 -0.08 -3.13 115.31 116.14 1t17 h LEU 145 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1t17 h LEU 145 Cb 1.13 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1t17 h LEU 145 CO 0.11 -0.04 0.00 0.00 -0.62 0.00 0.00 178.44 177.89 1t17 n HIS 146 N -5.14 0.00 0.08 1.25 1.44 -0.50 -3.58 115.22 108.77 1t17 n HIS 146 Ca -0.07 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.61 1t17 n HIS 146 Cb 0.22 -0.42 -0.02 0.00 0.12 0.00 0.00 29.99 29.90 1t17 n HIS 146 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1t17 h GLY 147 N 3.09 -0.23 0.87 -1.39 0.00 0.10 -3.49 103.07 102.02 1t17 h GLY 147 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1t17 h GLY 147 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.46