#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 s HIS 2 N 0.00 2.05 -0.13 2.03 4.02 -1.25 -4.88 115.29 117.12 1t17 s HIS 2 Ca 0.00 -0.06 0.03 0.00 1.02 0.00 0.00 55.06 56.05 1t17 s HIS 2 Cb 0.00 -4.17 0.01 0.00 -1.02 0.00 0.00 32.58 27.39 1t17 s HIS 2 CO 0.00 -4.90 -0.22 0.50 1.02 0.00 0.00 174.74 171.15 1t17 s ARG 3 N 2.96 2.99 -0.06 1.40 3.52 -1.26 -3.51 118.95 124.99 1t17 s ARG 3 Ca 0.81 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 1t17 s ARG 3 Cb -0.45 -2.40 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1t17 s ARG 3 CO 0.37 0.01 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.82 1t17 s HIS 4 N 0.76 3.04 -0.07 5.12 3.76 0.00 -4.96 115.29 122.95 1t17 s HIS 4 Ca -0.08 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1t17 s HIS 4 Cb -0.16 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 1t17 s HIS 4 CO -0.01 0.41 -0.08 0.08 -0.85 0.00 0.00 174.74 174.29 1t17 s VAL 5 N -0.89 3.59 -0.21 -0.90 1.01 -1.26 -1.07 120.40 120.68 1t17 s VAL 5 Ca 0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1t17 s VAL 5 Cb -0.11 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.87 1t17 s VAL 5 CO 0.03 0.59 0.07 -0.69 0.00 0.00 0.00 175.10 175.10 1t17 s VAL 6 N -0.70 0.32 -0.18 2.92 1.01 -0.62 -4.99 120.40 118.16 1t17 s VAL 6 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1t17 s VAL 6 Cb -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1t17 s VAL 6 CO 0.01 -0.33 -0.19 -0.89 0.00 0.00 0.00 175.10 173.71 1t17 s THR 7 N 1.94 2.03 0.17 3.92 2.01 -1.26 0.09 115.64 124.54 1t17 s THR 7 Ca 0.02 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.15 1t17 s THR 7 Cb -0.17 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1t17 s THR 7 CO -0.13 0.50 -0.19 -1.59 -0.69 0.00 0.00 174.62 172.52 1t17 s LYS 8 N 1.29 1.33 -0.19 4.92 0.00 0.02 -4.97 119.74 122.15 1t17 s LYS 8 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 55.97 54.58 1t17 s LYS 8 Cb -0.13 -1.44 0.04 0.00 0.00 0.00 0.00 37.83 36.30 1t17 s LYS 8 CO -0.12 0.30 -0.08 0.54 0.00 0.00 0.00 175.35 175.99 1t17 s VAL 9 N -1.96 1.39 -0.18 1.79 0.11 -1.26 0.06 120.40 120.34 1t17 s VAL 9 Ca 0.17 -0.87 -0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1t17 s VAL 9 Cb -0.06 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1t17 s VAL 9 CO 0.07 0.12 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.05 1t17 s LEU 10 N 1.50 2.36 -1.17 2.54 1.43 0.14 -4.92 118.68 120.57 1t17 s LEU 10 Ca -0.01 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1t17 s LEU 10 Cb -0.16 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 1t17 s LEU 10 CO -0.08 0.01 2.33 -0.81 0.23 0.00 0.00 176.35 178.03 1t17 n PRO 11 N 4.56 2.54 -4.48 1.29 -0.04 -1.26 -1.63 135.00 135.97 1t17 n PRO 11 Ca -0.20 -1.92 -0.25 0.00 -0.04 0.00 0.00 63.50 61.10 1t17 n PRO 11 Cb 0.51 -2.77 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.34 1.78 0.70 0.54 2.02 -1.26 -4.92 117.35 119.55 1t17 s TYR 12 Ca 0.52 -1.32 -0.11 0.00 -0.37 0.00 0.00 57.07 55.80 1t17 s TYR 12 Cb 0.14 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 1t17 s TYR 12 CO -0.02 -0.35 1.07 0.95 -1.57 0.00 0.00 175.55 175.62 1t17 s THR 13 N -3.25 3.90 -1.64 -0.71 -4.23 -1.26 -4.46 115.64 103.99 1t17 s THR 13 Ca 0.26 0.62 0.23 0.00 -1.18 0.00 0.00 61.69 61.62 1t17 s THR 13 Cb 0.03 -3.44 0.50 0.00 1.34 0.00 0.00 72.50 70.93 1t17 s THR 13 CO 0.16 -0.81 1.76 -0.81 -0.54 0.00 0.00 174.62 174.39 1t17 n PRO 14 N -3.11 0.48 -0.04 3.99 -0.04 -1.26 -3.04 135.00 131.99 1t17 n PRO 14 Ca 0.07 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1t17 n PRO 14 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.33 -0.22 3.54 1.82 -2.02 -2.92 116.42 116.96 1t17 h ASP 15 Ca 0.00 -0.61 0.06 0.00 -0.39 0.00 0.00 57.03 56.10 1t17 h ASP 15 Cb 0.13 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1t17 h ASP 15 CO 0.00 0.88 0.34 1.56 -1.61 0.00 0.00 179.24 180.41 1t17 h GLN 16 N -0.21 0.00 -0.26 0.28 4.20 -1.94 0.33 115.11 117.52 1t17 h GLN 16 Ca -0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1t17 h GLN 16 Cb 0.85 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1t17 h GLN 16 CO 0.05 0.00 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.69 1t17 h LEU 17 N 0.00 0.84 -1.34 1.46 3.38 -1.68 -3.01 115.31 114.96 1t17 h LEU 17 Ca 0.10 -0.53 0.35 0.00 0.09 0.00 0.00 57.88 57.90 1t17 h LEU 17 Cb 0.78 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1t17 h LEU 17 CO -0.00 1.21 0.74 0.15 0.09 0.00 0.00 178.44 180.63 1t17 h PHE 18 N 0.51 0.63 0.00 1.13 3.57 -0.32 1.79 116.94 124.25 1t17 h PHE 18 Ca 0.02 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 1t17 h PHE 18 Cb 1.04 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1t17 h PHE 18 CO 0.08 -0.10 -0.82 0.93 -2.23 0.00 0.00 178.31 176.17 1t17 h GLU 19 N 0.23 0.00 -0.29 1.11 5.08 -1.57 -3.03 114.58 116.10 1t17 h GLU 19 Ca 0.72 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.89 1t17 h GLU 19 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1t17 h GLU 19 CO -0.39 0.82 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.81 1t17 h LEU 20 N 0.00 0.99 -0.69 1.33 3.38 0.26 -0.47 115.31 120.11 1t17 h LEU 20 Ca -0.01 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1t17 h LEU 20 Cb 1.54 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1t17 h LEU 20 CO 0.11 1.34 0.45 0.58 0.09 0.00 0.00 178.44 181.01 1t17 h VAL 21 N 0.68 1.17 -0.67 1.22 2.07 -0.39 -1.22 116.25 119.11 1t17 h VAL 21 Ca 0.01 -0.32 -0.21 0.00 0.82 0.00 0.00 66.70 67.01 1t17 h VAL 21 Cb 1.16 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.97 1t17 h VAL 21 CO 0.12 0.17 0.26 0.61 0.02 0.00 0.00 177.57 178.76 1t17 n GLY 22 N -1.29 3.43 0.00 2.17 0.00 -1.15 -4.34 105.19 104.02 1t17 n GLY 22 Ca 0.06 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.14 0.00 0.12 1.61 2.03 -0.20 0.20 116.55 120.18 1t17 n ASP 23 Ca 0.37 0.25 0.12 0.00 0.52 0.00 0.00 54.79 56.05 1t17 n ASP 23 Cb 1.29 -0.36 0.08 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 -3.28 116.25 114.84 1t17 h VAL 24 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1t17 h VAL 24 Cb 0.13 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1t17 h VAL 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 175.67 1t17 n ASP 25 N -2.65 0.72 0.00 4.19 2.03 0.12 -3.97 116.55 116.99 1t17 n ASP 25 Ca 0.02 -1.29 0.00 0.00 0.52 0.00 0.00 54.79 54.04 1t17 n ASP 25 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.14 0.93 -4.12 -1.67 0.00 0.54 -5.02 120.51 111.03 1t17 n ALA 26 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1t17 n ALA 26 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.36 -0.85 0.00 4.11 -1.24 -4.72 117.16 113.11 1t17 n TYR 27 Ca 0.00 0.13 -0.17 0.00 -0.00 0.00 0.00 57.90 57.85 1t17 n TYR 27 Cb 0.00 -2.77 -0.08 0.00 -0.00 0.00 0.00 39.34 36.48 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 -5.03 2.03 0.00 -3.48 -0.04 -1.26 -4.68 135.00 122.54 1t17 n PRO 28 Ca -0.14 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1t17 n PRO 28 Cb 0.58 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1t17 n PRO 28 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1t17 n LYS 29 N 3.17 0.00 -3.41 0.54 0.00 -1.26 -5.15 118.16 112.05 1t17 n LYS 29 Ca 0.44 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.37 1t17 n LYS 29 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.44 1t17 n LYS 29 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1t17 s PHE 30 N -2.32 3.65 -0.42 5.58 5.36 -1.26 -5.03 117.98 123.53 1t17 s PHE 30 Ca 0.00 0.97 0.04 0.00 -0.96 0.00 0.00 56.93 56.98 1t17 s PHE 30 Cb 0.00 -2.40 0.17 0.00 -0.34 0.00 0.00 43.02 40.44 1t17 s PHE 30 CO 0.00 0.46 0.34 0.14 -1.46 0.00 0.00 175.22 174.70 1t17 s VAL 31 N -0.44 0.48 0.08 3.12 -7.23 -1.26 -4.83 120.40 110.31 1t17 s VAL 31 Ca 0.25 -2.67 -0.14 0.00 -1.81 0.00 0.00 61.98 57.61 1t17 s VAL 31 Cb -0.16 -1.34 -0.21 0.00 0.56 0.00 0.00 36.38 35.23 1t17 s VAL 31 CO 0.13 -1.20 1.22 1.55 -0.31 0.00 0.00 175.10 176.49 1t17 h PRO 32 N 5.74 0.72 -0.09 4.82 0.13 -1.96 -2.94 132.00 138.40 1t17 h PRO 32 Ca 0.24 -0.70 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1t17 h PRO 32 Cb 0.91 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1t17 h PRO 32 CO 0.38 1.29 0.38 0.11 -0.23 0.00 0.00 178.00 179.93 1t17 h TRP 33 N 0.41 0.00 -4.63 1.56 0.09 -1.93 -3.35 115.95 108.10 1t17 h TRP 33 Ca -0.10 0.00 -0.47 0.00 0.09 0.00 0.00 58.89 58.41 1t17 h TRP 33 Cb 1.56 0.00 -0.10 0.00 0.08 0.00 0.00 29.16 30.70 1t17 h TRP 33 CO 0.10 0.00 -0.38 1.51 0.09 0.00 0.00 178.44 179.76 1t17 n ILE 34 N -3.06 0.00 0.00 0.12 3.06 -1.11 -4.67 119.36 113.70 1t17 n ILE 34 Ca 0.00 -1.91 0.00 0.00 -2.50 0.00 0.00 62.75 58.34 1t17 n ILE 34 Cb 0.46 0.59 0.00 0.00 0.54 0.00 0.00 39.64 41.22 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 -0.83 0.00 -3.38 9.51 5.66 -1.25 -4.53 114.28 119.46 1t17 n THR 35 Ca -0.09 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.58 1t17 n THR 35 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.87 2.35 -0.06 1.09 0.00 -1.26 -4.92 107.32 103.64 1t17 s GLY 36 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.30 1t17 s GLY 36 CO 0.00 -0.02 0.47 -0.29 0.00 0.00 0.00 173.10 173.27 1t17 s MET 37 N -2.51 0.78 -0.29 2.90 1.75 -1.25 -0.82 119.30 119.86 1t17 s MET 37 Ca 0.44 0.14 -0.18 0.00 -1.25 0.00 0.00 55.69 54.85 1t17 s MET 37 Cb -0.12 0.36 0.13 0.00 2.84 0.00 0.00 34.83 38.04 1t17 s MET 37 CO 0.20 -0.21 0.93 0.50 -0.65 0.00 0.00 175.02 175.80 1t17 s ARG 38 N -0.95 0.47 -0.08 4.11 6.06 -0.53 -4.99 118.95 123.03 1t17 s ARG 38 Ca -0.10 0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 53.86 1t17 s ARG 38 Cb -0.03 0.12 0.03 0.00 0.06 0.00 0.00 34.95 35.13 1t17 s ARG 38 CO 0.05 -0.09 0.01 0.95 -2.50 0.00 0.00 175.30 173.73 1t17 s THR 39 N 1.17 0.36 0.00 4.11 -4.23 -1.26 -0.40 115.64 115.39 1t17 s THR 39 Ca -0.07 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1t17 s THR 39 Cb -0.04 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.24 1t17 s THR 39 CO -0.14 0.20 0.00 -2.67 -0.54 0.00 0.00 174.62 171.47 1t17 n TRP 40 N 5.15 0.00 -2.31 3.99 2.14 -1.01 -4.93 117.44 120.46 1t17 n TRP 40 Ca -0.07 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.49 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 -4.63 0.00 -0.67 2.85 -1.26 -2.09 115.26 109.47 1t17 n ASN 41 Ca 0.00 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.45 1t17 n ASN 41 Cb 0.00 -3.99 0.00 0.00 1.24 0.00 0.00 39.78 37.03 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 0.69 1.18 3.15 8.20 0.00 -1.26 -2.31 105.19 114.84 1t17 n GLY 42 Ca -0.09 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 4.68 0.82 -0.08 1.61 1.70 0.14 -4.98 118.95 122.84 1t17 s ARG 43 Ca 0.00 -1.27 -0.01 0.00 -0.47 0.00 0.00 55.73 53.98 1t17 s ARG 43 Cb 0.00 0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1t17 s ARG 43 CO 0.00 -0.22 -0.01 0.54 -1.08 0.00 0.00 175.30 174.53 1t17 s VAL 44 N -3.97 0.49 -0.05 4.99 0.11 -1.26 -1.09 120.40 119.62 1t17 s VAL 44 Ca 0.15 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1t17 s VAL 44 Cb 0.07 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1t17 s VAL 44 CO -0.04 0.28 -0.11 -0.62 -3.33 0.00 0.00 175.10 171.28 1t17 s ASP 45 N 1.93 1.54 0.43 3.54 -1.08 -0.07 -5.02 116.67 117.95 1t17 s ASP 45 Ca 0.05 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1t17 s ASP 45 Cb -0.12 -0.66 0.00 0.00 -1.46 0.00 0.00 42.92 40.67 1t17 s ASP 45 CO -0.06 0.03 0.00 0.61 0.52 0.00 0.00 175.17 176.27 1t17 n GLY 46 N 3.74 2.63 2.02 2.66 0.00 -1.26 0.47 105.19 115.45 1t17 n GLY 46 Ca -0.23 -0.05 -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 7.83 5.32 -2.84 4.61 0.00 -1.26 -4.87 120.51 129.30 1t17 n ALA 47 Ca 0.00 -2.39 -0.14 0.00 0.00 0.00 0.00 53.44 50.91 1t17 n ALA 47 Cb 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.07 0.54 -0.04 0.00 1.01 0.18 -0.81 120.40 118.20 1t17 s VAL 48 Ca 0.46 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1t17 s VAL 48 Cb 0.37 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 36.20 1t17 s VAL 48 CO 0.03 -0.28 0.08 -0.44 0.00 0.00 0.00 175.10 174.50 1t17 s SER 49 N -1.30 -0.04 -0.08 3.32 0.01 0.49 -0.89 113.70 115.20 1t17 s SER 49 Ca -0.07 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1t17 s SER 49 Cb -0.08 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.26 1t17 s SER 49 CO 0.00 -0.09 -0.10 -0.89 0.41 0.00 0.00 173.24 172.57 1t17 s THR 50 N 0.67 1.07 0.27 1.44 2.01 -0.25 0.02 115.64 120.88 1t17 s THR 50 Ca -0.05 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 1t17 s THR 50 Cb -0.07 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1t17 s THR 50 CO -0.03 0.35 0.49 0.68 -0.69 0.00 0.00 174.62 175.43 1t17 s VAL 51 N 1.00 0.00 0.37 3.82 -7.23 -0.49 0.23 120.40 118.10 1t17 s VAL 51 Ca -0.08 -1.43 -0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1t17 s VAL 51 Cb -0.15 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1t17 s VAL 51 CO -0.00 0.00 1.04 -1.81 -0.31 0.00 0.00 175.10 174.02 1t17 s ASP 52 N -3.07 6.94 -0.25 4.85 -0.00 -0.89 0.50 116.67 124.76 1t17 s ASP 52 Ca 0.24 2.04 0.02 0.00 -0.00 0.00 0.00 52.55 54.85 1t17 s ASP 52 Cb -0.01 -2.59 0.06 0.00 -0.00 0.00 0.00 42.92 40.38 1t17 s ASP 52 CO 0.11 -0.36 -0.06 0.00 -0.00 0.00 0.00 175.17 174.86 1t17 s ALA 53 N -1.56 2.21 -0.47 5.23 0.00 0.51 -2.39 121.76 125.28 1t17 s ALA 53 Ca 0.54 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1t17 s ALA 53 Cb -0.23 -1.52 0.10 0.00 0.00 0.00 0.00 23.12 21.47 1t17 s ALA 53 CO 0.29 -1.24 0.36 -2.00 0.00 0.00 0.00 175.76 173.17 1t17 s GLU 54 N 1.27 2.67 0.16 0.00 -6.30 0.46 -0.89 118.70 116.08 1t17 s GLU 54 Ca -0.05 -1.62 0.08 0.00 -2.50 0.00 0.00 54.97 50.88 1t17 s GLU 54 Cb -0.19 -3.99 -0.04 0.00 0.00 0.00 0.00 34.13 29.91 1t17 s GLU 54 CO -0.06 -1.14 -0.10 0.00 0.02 0.00 0.00 175.26 173.98 1t17 s ALA 55 N 1.46 2.92 0.43 6.30 0.00 -0.71 -1.46 121.76 130.69 1t17 s ALA 55 Ca 0.04 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.61 1t17 s ALA 55 Cb -0.26 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1t17 s ALA 55 CO 0.02 0.52 0.06 1.04 0.00 0.00 0.00 175.76 177.39 1t17 n GLN 56 N 0.26 0.77 -3.82 0.00 6.02 -0.00 -1.53 117.38 119.07 1t17 n GLN 56 Ca -0.12 -3.28 -0.19 0.00 -0.01 0.00 0.00 57.00 53.39 1t17 n GLN 56 Cb 0.54 1.25 -0.17 0.00 1.02 0.00 0.00 30.24 32.88 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 -2.79 0.15 -0.03 5.09 -7.23 -1.13 -3.78 120.40 110.68 1t17 s VAL 57 Ca 0.08 0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1t17 s VAL 57 Cb 0.00 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 1t17 s VAL 57 CO 0.06 0.18 -0.16 0.61 -0.31 0.00 0.00 175.10 175.48 1t17 n GLY 58 N 4.68 -0.27 1.64 2.32 0.00 -1.26 -4.19 105.19 108.11 1t17 n GLY 58 Ca -0.16 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.91 1.32 0.06 1.61 -0.00 -1.26 -3.79 117.46 111.49 1t17 n PHE 59 Ca -0.06 -1.37 0.08 0.00 -0.00 0.00 0.00 57.45 56.10 1t17 n PHE 59 Cb 0.24 -0.68 0.17 0.00 -0.00 0.00 0.00 39.48 39.21 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1t17 n SER 60 N 0.06 3.01 -0.46 -2.13 7.64 -1.26 -4.93 113.62 115.54 1t17 n SER 60 Ca 0.26 -1.89 -0.06 0.00 1.01 0.00 0.00 58.87 58.19 1t17 n SER 60 Cb 0.83 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.95 0.00 -3.55 1.43 7.35 -1.25 -4.91 117.46 117.48 1t17 n PHE 61 Ca 0.14 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.66 1t17 n PHE 61 Cb 0.47 -2.18 -0.13 0.00 0.35 0.00 0.00 39.48 37.99 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 -1.38 -0.13 -0.96 -2.13 2.96 -1.26 -5.09 118.68 110.70 1t17 s LEU 62 Ca 0.00 -0.00 -0.22 0.00 -0.22 0.00 0.00 54.13 53.69 1t17 s LEU 62 Cb 0.00 0.41 0.08 0.00 0.50 0.00 0.00 46.19 47.18 1t17 s LEU 62 CO 0.00 -0.30 1.30 -0.60 -1.32 0.00 0.00 176.35 175.43 1t17 s ARG 63 N 2.34 3.55 0.14 1.98 6.06 -1.26 -4.60 118.95 127.16 1t17 s ARG 63 Ca 0.05 -1.30 -0.07 0.00 -2.50 0.00 0.00 55.73 51.92 1t17 s ARG 63 Cb -0.15 -5.09 -0.02 0.00 0.06 0.00 0.00 34.95 29.76 1t17 s ARG 63 CO -0.10 -2.03 0.21 -1.21 -2.50 0.00 0.00 175.30 169.67 1t17 s GLU 64 N 4.12 1.05 0.19 5.12 2.02 -1.26 -5.07 118.70 124.87 1t17 s GLU 64 Ca 0.39 -1.22 0.08 0.00 0.02 0.00 0.00 54.97 54.25 1t17 s GLU 64 Cb -0.03 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 1t17 s GLU 64 CO -0.08 -0.36 -0.17 -1.59 0.02 0.00 0.00 175.26 173.09 1t17 s LYS 65 N -3.98 1.32 0.04 1.61 0.00 -1.26 -2.84 119.74 114.63 1t17 s LYS 65 Ca 0.17 -1.50 -0.09 0.00 0.00 0.00 0.00 55.97 54.55 1t17 s LYS 65 Cb 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 37.83 36.60 1t17 s LYS 65 CO -0.01 0.24 0.19 -0.06 0.00 0.00 0.00 175.35 175.71 1t17 s PHE 66 N -2.42 0.06 -0.00 1.78 0.08 -0.58 -4.96 117.98 111.93 1t17 s PHE 66 Ca 0.19 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1t17 s PHE 66 Cb -0.04 -0.03 -0.00 0.00 -0.57 0.00 0.00 43.02 42.38 1t17 s PHE 66 CO 0.07 -0.43 -0.04 0.00 -0.10 0.00 0.00 175.22 174.72 1t17 s ALA 67 N -2.55 0.36 0.05 5.36 0.00 -1.26 -1.74 121.76 121.99 1t17 s ALA 67 Ca -0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 1t17 s ALA 67 Cb -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1t17 s ALA 67 CO -0.04 0.08 0.45 0.95 0.00 0.00 0.00 175.76 177.20 1t17 s THR 68 N -0.05 0.05 -0.47 0.00 -4.23 -0.07 -1.37 115.64 109.50 1t17 s THR 68 Ca 0.01 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1t17 s THR 68 Cb -0.02 -0.98 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1t17 s THR 68 CO -0.00 -0.21 1.13 -0.60 -0.54 0.00 0.00 174.62 174.40 1t17 s ARG 69 N -2.61 3.73 0.01 3.99 3.52 -0.09 0.19 118.95 127.70 1t17 s ARG 69 Ca -0.04 0.57 -0.21 0.00 -0.13 0.00 0.00 55.73 55.92 1t17 s ARG 69 Cb -0.01 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.43 1t17 s ARG 69 CO -0.03 -1.37 0.62 0.54 -0.81 0.00 0.00 175.30 174.25 1t17 s VAL 70 N 4.42 4.85 -0.20 7.11 0.11 0.18 -1.05 120.40 135.82 1t17 s VAL 70 Ca 0.48 1.31 0.01 0.00 -2.93 0.00 0.00 61.98 60.84 1t17 s VAL 70 Cb -0.07 -3.96 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1t17 s VAL 70 CO 0.31 0.43 -0.11 -0.13 -3.33 0.00 0.00 175.10 172.27 1t17 s ARG 71 N -0.29 2.13 0.06 1.54 0.52 0.47 -1.39 118.95 121.99 1t17 s ARG 71 Ca 0.32 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1t17 s ARG 71 Cb -0.19 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1t17 s ARG 71 CO 0.18 -0.42 -0.00 1.03 0.02 0.00 0.00 175.30 176.11 1t17 s ARG 72 N 1.36 2.61 -0.04 3.54 0.52 0.10 -0.79 118.95 126.26 1t17 s ARG 72 Ca -0.01 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1t17 s ARG 72 Cb -0.16 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.77 1t17 s ARG 72 CO -0.08 0.57 0.08 0.34 0.02 0.00 0.00 175.30 176.22 1t17 s ASP 73 N -2.05 0.23 0.02 0.23 -1.08 -0.98 -0.38 116.67 112.65 1t17 s ASP 73 Ca 0.24 0.14 0.23 0.00 -0.52 0.00 0.00 52.55 52.64 1t17 s ASP 73 Cb -0.12 0.02 0.05 0.00 -1.46 0.00 0.00 42.92 41.41 1t17 s ASP 73 CO 0.16 -0.16 1.05 2.29 0.52 0.00 0.00 175.17 179.03 1t17 n LYS 74 N 4.45 0.13 0.01 4.34 2.85 0.01 -1.32 118.16 128.62 1t17 n LYS 74 Ca -0.22 -0.01 0.05 0.00 -1.05 0.00 0.00 58.31 57.08 1t17 n LYS 74 Cb 0.50 -1.53 -0.11 0.00 -0.65 0.00 0.00 35.03 33.24 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 -1.70 0.40 -0.02 -5.58 8.00 -1.23 -4.21 116.55 112.22 1t17 n ASP 75 Ca 0.03 0.17 0.05 0.00 0.71 0.00 0.00 54.79 55.75 1t17 n ASP 75 Cb 0.38 1.05 -0.12 0.00 -0.02 0.00 0.00 41.12 42.41 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 -2.35 2.41 -2.80 2.24 0.00 -1.25 -4.99 120.51 113.76 1t17 n ALA 76 Ca -0.09 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.65 1t17 n ALA 76 Cb 0.72 -0.46 0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.15 -3.76 -4.22 0.00 1.74 -0.44 -4.89 116.66 102.95 1t17 n ARG 77 Ca -0.07 0.89 -0.13 0.00 -0.77 0.00 0.00 57.85 57.78 1t17 n ARG 77 Cb 0.53 -5.61 -0.10 0.00 -1.02 0.00 0.00 32.46 26.26 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1t17 s SER 78 N -2.54 1.45 0.11 0.55 1.04 -1.19 -4.15 113.70 108.97 1t17 s SER 78 Ca 0.20 -1.03 0.07 0.00 0.48 0.00 0.00 55.95 55.67 1t17 s SER 78 Cb -0.09 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1t17 s SER 78 CO 0.25 -0.42 -0.16 -0.51 0.98 0.00 0.00 173.24 173.38 1t17 s ILE 79 N -3.49 1.42 -0.16 -1.02 -1.16 -0.80 -2.31 121.20 113.68 1t17 s ILE 79 Ca 0.16 -1.58 -0.13 0.00 -0.51 0.00 0.00 60.65 58.58 1t17 s ILE 79 Cb 0.04 -1.44 0.04 0.00 0.61 0.00 0.00 42.46 41.71 1t17 s ILE 79 CO -0.01 -0.26 0.41 -0.62 -2.81 0.00 0.00 174.94 171.65 1t17 s ASP 80 N -2.14 -0.45 -0.02 4.50 2.15 0.03 -1.15 116.67 119.58 1t17 s ASP 80 Ca 0.06 0.85 0.05 0.00 0.43 0.00 0.00 52.55 53.94 1t17 s ASP 80 Cb -0.08 0.83 -0.01 0.00 -0.30 0.00 0.00 42.92 43.37 1t17 s ASP 80 CO 0.04 -0.16 -0.16 -0.69 -0.17 0.00 0.00 175.17 174.03 1t17 s VAL 81 N 0.48 1.31 0.20 1.11 1.01 0.35 0.18 120.40 125.04 1t17 s VAL 81 Ca -0.02 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.38 1t17 s VAL 81 Cb -0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1t17 s VAL 81 CO -0.02 0.38 -0.21 -0.44 0.00 0.00 0.00 175.10 174.80 1t17 s SER 82 N -0.22 3.60 0.11 3.32 0.01 -0.21 -1.00 113.70 119.31 1t17 s SER 82 Ca 0.03 -0.82 -0.31 0.00 1.31 0.00 0.00 55.95 56.16 1t17 s SER 82 Cb -0.08 -0.35 -0.07 0.00 0.21 0.00 0.00 66.02 65.73 1t17 s SER 82 CO 0.00 0.11 1.29 -0.22 0.41 0.00 0.00 173.24 174.84 1t17 s LEU 83 N -2.75 4.38 0.10 2.44 2.96 -1.04 -0.91 118.68 123.85 1t17 s LEU 83 Ca 0.22 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.34 1t17 s LEU 83 Cb -0.08 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1t17 s LEU 83 CO 0.11 -0.55 0.00 -0.11 -1.32 0.00 0.00 176.35 174.48 1t17 n LEU 84 N 3.70 0.53 0.00 -0.68 0.00 -1.22 -4.80 117.00 114.53 1t17 n LEU 84 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1t17 n LEU 84 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 43.76 1t17 n LEU 84 CO 0.57 -0.55 0.07 0.00 0.00 0.00 0.00 177.39 177.48 1t17 n TYR 85 N -3.29 0.00 0.00 1.96 9.36 -0.95 -4.84 117.16 119.41 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 0.13 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 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 0.05 -2.07 0.00 2.98 0.00 -0.47 -4.26 105.19 101.42 1t17 n GLY 86 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1t17 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t17 n PRO 87 N 0.00 0.75 -3.62 1.61 -0.04 -1.26 -4.86 135.00 127.58 1t17 n PRO 87 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1t17 n PRO 87 Cb 0.00 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 1t17 n PRO 87 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t17 n PHE 88 N -0.91 -0.81 0.11 0.54 7.35 -1.26 -4.42 117.46 118.06 1t17 n PHE 88 Ca 0.15 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.27 1t17 n PHE 88 Cb 0.07 -1.55 0.00 0.00 0.35 0.00 0.00 39.48 38.35 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1t17 n LYS 89 N -3.13 0.00 -3.49 -4.13 0.00 -1.26 -5.12 118.16 101.02 1t17 n LYS 89 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.24 1t17 n LYS 89 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.36 1t17 n LYS 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1t17 s ARG 90 N -2.00 0.28 -0.30 1.64 3.52 -1.26 -5.08 118.95 115.76 1t17 s ARG 90 Ca 0.00 0.60 -0.17 0.00 -0.13 0.00 0.00 55.73 56.03 1t17 s ARG 90 Cb 0.00 0.24 0.20 0.00 -1.56 0.00 0.00 34.95 33.83 1t17 s ARG 90 CO 0.00 -0.08 1.21 -1.17 -0.81 0.00 0.00 175.30 174.45 1t17 s LEU 91 N 1.90 -0.16 0.02 -0.88 0.20 -1.26 -0.93 118.68 117.57 1t17 s LEU 91 Ca -0.05 0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.02 1t17 s LEU 91 Cb -0.04 1.22 -0.01 0.00 -0.43 0.00 0.00 46.19 46.92 1t17 s LEU 91 CO -0.16 -0.04 -0.04 0.20 -0.29 0.00 0.00 176.35 176.02 1t17 s ASN 92 N 1.39 0.41 0.05 3.68 0.01 0.41 -2.50 114.94 118.40 1t17 s ASN 92 Ca -0.06 -0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 51.70 1t17 s ASN 92 Cb -0.02 0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 1t17 s ASN 92 CO -0.12 -0.16 0.03 0.20 -1.51 0.00 0.00 177.10 175.54 1t17 s ASN 93 N -1.01 0.34 0.00 -1.22 0.01 -0.17 -0.61 114.94 112.28 1t17 s ASN 93 Ca -0.09 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 1t17 s ASN 93 Cb -0.07 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.81 1t17 s ASN 93 CO -0.00 -0.57 0.00 0.61 -1.51 0.00 0.00 177.10 175.63 1t17 n GLY 94 N 0.37 2.03 3.23 0.66 0.00 -1.17 0.13 105.19 110.45 1t17 n GLY 94 Ca -0.16 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1t17 n GLY 94 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1t17 s TRP 95 N -2.00 -0.14 0.01 1.61 1.48 -0.30 -0.98 118.94 118.61 1t17 s TRP 95 Ca 0.00 0.17 0.01 0.00 -1.06 0.00 0.00 56.10 55.22 1t17 s TRP 95 Cb 0.00 0.08 -0.01 0.00 -1.16 0.00 0.00 33.47 32.38 1t17 s TRP 95 CO 0.00 -0.40 -0.05 1.03 -4.06 0.00 0.00 176.95 173.47 1t17 s ARG 96 N -1.59 0.36 0.09 3.25 1.81 0.20 -1.91 118.95 121.16 1t17 s ARG 96 Ca -0.12 -0.28 -0.10 0.00 -1.72 0.00 0.00 55.73 53.52 1t17 s ARG 96 Cb -0.04 -0.29 -0.06 0.00 -0.45 0.00 0.00 34.95 34.11 1t17 s ARG 96 CO 0.03 0.07 0.40 -0.06 -0.68 0.00 0.00 175.30 175.06 1t17 s PHE 97 N -0.40 3.58 -0.36 -0.53 0.08 -1.26 -1.26 117.98 117.83 1t17 s PHE 97 Ca -0.01 0.78 0.05 0.00 0.12 0.00 0.00 56.93 57.87 1t17 s PHE 97 Cb -0.04 -2.15 0.17 0.00 -0.57 0.00 0.00 43.02 40.43 1t17 s PHE 97 CO -0.00 0.51 0.51 1.41 -0.10 0.00 0.00 175.22 177.55 1t17 s MET 98 N -1.96 0.65 0.46 0.44 1.75 0.12 -5.00 119.30 115.76 1t17 s MET 98 Ca 0.34 -0.24 -0.21 0.00 -1.25 0.00 0.00 55.69 54.32 1t17 s MET 98 Cb -0.14 -0.19 -0.09 0.00 2.84 0.00 0.00 34.83 37.25 1t17 s MET 98 CO 0.18 -1.14 1.04 -1.25 -0.65 0.00 0.00 175.02 173.20 1t17 s PRO 99 N 2.00 3.89 -0.39 4.11 0.04 -1.26 -2.08 135.00 141.31 1t17 s PRO 99 Ca 0.14 1.40 0.12 0.00 0.04 0.00 0.00 61.00 62.70 1t17 s PRO 99 Cb -0.10 -2.21 0.37 0.00 0.04 0.00 0.00 34.50 32.61 1t17 s PRO 99 CO -0.13 -0.36 0.81 -0.85 0.04 0.00 0.00 177.00 176.51 1t17 n GLU 100 N -0.74 1.35 0.00 4.56 0.28 -1.03 -4.89 120.64 120.18 1t17 n GLU 100 Ca 0.08 -3.57 0.00 0.00 -0.16 0.00 0.00 57.16 53.51 1t17 n GLU 100 Cb 0.52 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.68 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 0.13 0.17 0.18 -1.84 0.00 -1.26 -4.53 105.19 98.04 1t17 n GLY 101 Ca 0.23 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.75 1.61 3.04 -1.98 -3.45 116.42 113.88 1t17 h ASP 102 Ca 0.00 -0.00 -0.43 0.00 -3.24 0.00 0.00 57.03 53.36 1t17 h ASP 102 Cb 0.00 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.31 1t17 h ASP 102 CO 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 179.24 176.93 1t17 s ALA 103 N -3.25 4.31 0.05 4.15 0.00 -1.26 -4.47 121.76 121.29 1t17 s ALA 103 Ca 0.05 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.56 1t17 s ALA 103 Cb 0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1t17 s ALA 103 CO 0.71 -0.20 -0.17 0.99 0.00 0.00 0.00 175.76 177.08 1t17 s THR 104 N -2.31 1.37 -0.12 0.00 2.01 -0.65 -2.45 115.64 113.49 1t17 s THR 104 Ca 0.50 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1t17 s THR 104 Cb -0.10 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.19 1t17 s THR 104 CO 0.33 0.03 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.50 1t17 s ARG 105 N -1.34 2.64 -0.04 4.92 3.52 -0.88 0.27 118.95 128.04 1t17 s ARG 105 Ca 0.04 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1t17 s ARG 105 Cb -0.09 -2.16 -0.03 0.00 -1.56 0.00 0.00 34.95 31.11 1t17 s ARG 105 CO 0.02 -0.02 -0.08 0.08 -0.81 0.00 0.00 175.30 174.50 1t17 s VAL 106 N 0.84 3.62 -0.07 7.11 1.01 0.11 0.11 120.40 133.13 1t17 s VAL 106 Ca -0.08 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1t17 s VAL 106 Cb -0.15 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1t17 s VAL 106 CO -0.01 0.51 -0.16 -1.61 0.00 0.00 0.00 175.10 173.84 1t17 s GLU 107 N -1.06 2.02 -0.15 2.72 2.02 -0.39 -0.80 118.70 123.06 1t17 s GLU 107 Ca 0.14 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1t17 s GLU 107 Cb -0.11 -1.64 0.03 0.00 0.10 0.00 0.00 34.13 32.51 1t17 s GLU 107 CO 0.04 0.12 -0.12 0.12 0.02 0.00 0.00 175.26 175.43 1t17 s PHE 108 N 0.42 2.09 -0.23 1.61 2.19 0.11 -0.63 117.98 123.55 1t17 s PHE 108 Ca -0.13 -1.20 -0.11 0.00 0.33 0.00 0.00 56.93 55.82 1t17 s PHE 108 Cb -0.15 -1.54 -0.05 0.00 -1.31 0.00 0.00 43.02 39.97 1t17 s PHE 108 CO 0.04 -0.66 0.19 0.14 1.83 0.00 0.00 175.22 176.77 1t17 s VAL 109 N 1.51 5.34 -0.19 3.12 -7.23 -0.15 -1.59 120.40 121.22 1t17 s VAL 109 Ca 0.04 0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 60.45 1t17 s VAL 109 Cb -0.13 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 1t17 s VAL 109 CO -0.10 0.34 -0.09 0.27 -0.31 0.00 0.00 175.10 175.22 1t17 s ILE 110 N 1.01 3.16 -0.09 -0.62 -5.25 -0.23 -3.02 121.20 116.16 1t17 s ILE 110 Ca 0.09 -0.58 -0.02 0.00 -0.99 0.00 0.00 60.65 59.15 1t17 s ILE 110 Cb -0.13 -2.39 0.04 0.00 2.95 0.00 0.00 42.46 42.92 1t17 s ILE 110 CO 0.04 0.47 0.02 -1.61 -1.79 0.00 0.00 174.94 172.07 1t17 s GLU 111 N 1.08 0.47 0.10 0.37 2.02 0.22 -0.82 118.70 122.15 1t17 s GLU 111 Ca 0.00 0.05 -0.08 0.00 0.02 0.00 0.00 54.97 54.96 1t17 s GLU 111 Cb -0.15 -1.16 -0.00 0.00 0.10 0.00 0.00 34.13 32.92 1t17 s GLU 111 CO -0.02 -0.39 0.20 -0.59 0.02 0.00 0.00 175.26 174.48 1t17 s PHE 112 N 2.00 0.20 -0.15 1.61 -0.12 -1.23 0.16 117.98 120.44 1t17 s PHE 112 Ca 0.04 -0.63 -0.03 0.00 -0.05 0.00 0.00 56.93 56.26 1t17 s PHE 112 Cb -0.13 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 1t17 s PHE 112 CO -0.06 -0.56 -0.06 0.00 -0.05 0.00 0.00 175.22 174.49 1t17 s ALA 113 N -3.88 2.89 0.40 1.99 0.00 -0.11 -3.88 121.76 119.17 1t17 s ALA 113 Ca 0.07 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1t17 s ALA 113 Cb 0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1t17 s ALA 113 CO -0.09 0.17 0.31 -0.06 0.00 0.00 0.00 175.76 176.09 1t17 s PHE 114 N 0.46 2.71 -0.16 0.00 0.08 -1.26 -4.93 117.98 114.88 1t17 s PHE 114 Ca -0.05 -0.49 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 1t17 s PHE 114 Cb -0.15 -2.06 -0.13 0.00 -0.57 0.00 0.00 43.02 40.11 1t17 s PHE 114 CO 0.03 -0.00 0.21 0.87 -0.10 0.00 0.00 175.22 176.23 1t17 h LYS 115 N 1.16 0.00 -5.37 0.44 6.56 -1.99 -3.45 116.57 113.92 1t17 h LYS 115 Ca -0.42 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.56 1t17 h LYS 115 Cb 1.26 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.80 1t17 h LYS 115 CO 0.60 0.56 -0.09 -1.12 -2.06 0.00 0.00 179.45 177.35 1t17 s SER 116 N -6.18 6.43 0.47 0.86 0.01 -1.26 -4.94 113.70 109.09 1t17 s SER 116 Ca -0.18 0.51 0.12 0.00 1.31 0.00 0.00 55.95 57.72 1t17 s SER 116 Cb 0.02 -2.26 1.09 0.00 0.21 0.00 0.00 66.02 65.07 1t17 s SER 116 CO 0.41 -0.21 2.10 0.00 0.41 0.00 0.00 173.24 175.95 1t17 h ALA 117 N 7.81 1.88 0.01 1.44 0.00 -1.99 0.28 119.26 128.70 1t17 h ALA 117 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1t17 h ALA 117 Cb 1.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1t17 h ALA 117 CO 0.71 0.10 -0.01 -0.07 0.00 0.00 0.00 179.25 179.98 1t17 h LEU 118 N 0.26 -0.01 -1.79 0.00 -0.00 -2.00 -2.59 115.31 109.17 1t17 h LEU 118 Ca 0.08 -0.34 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 1t17 h LEU 118 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1t17 h LEU 118 CO -0.02 0.33 -0.14 -0.07 -0.00 0.00 0.00 178.44 178.55 1t17 h LEU 119 N -0.36 0.00 0.14 1.67 3.38 -1.76 0.18 115.31 118.57 1t17 h LEU 119 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t17 h LEU 119 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1t17 h LEU 119 CO 0.00 0.14 -0.12 -0.78 0.09 0.00 0.00 178.44 177.77 1t17 h ASP 120 N 0.00 -0.31 0.35 -0.43 1.82 -0.09 1.14 116.42 118.90 1t17 h ASP 120 Ca -0.00 0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.46 1t17 h ASP 120 Cb 0.40 0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 1t17 h ASP 120 CO 0.02 -0.19 -0.86 0.00 -1.61 0.00 0.00 179.24 176.61 1t17 h ALA 121 N 0.57 0.47 -0.08 -0.78 0.00 -1.23 0.27 119.26 118.48 1t17 h ALA 121 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1t17 h ALA 121 Cb 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1t17 h ALA 121 CO -0.02 0.81 0.04 1.98 0.00 0.00 0.00 179.25 182.07 1t17 h MET 122 N 0.22 0.12 -0.01 0.00 4.05 -0.61 0.75 114.93 119.45 1t17 h MET 122 Ca -0.06 -0.02 -0.19 0.00 -0.28 0.00 0.00 59.70 59.16 1t17 h MET 122 Cb 1.47 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.26 1t17 h MET 122 CO 0.14 0.19 -0.72 -0.07 0.23 0.00 0.00 176.91 176.68 1t17 h LEU 123 N 0.02 0.65 -0.86 3.39 3.38 0.13 -2.86 115.31 119.16 1t17 h LEU 123 Ca 0.03 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1t17 h LEU 123 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1t17 h LEU 123 CO -0.00 1.31 0.00 0.00 0.09 0.00 0.00 178.44 179.84 1t17 n ALA 124 N -2.60 1.47 -0.04 1.53 0.00 0.96 -0.65 120.51 121.16 1t17 n ALA 124 Ca -0.10 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1t17 n ALA 124 Cb 0.73 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 2.19 -0.03 0.00 0.00 0.00 0.71 -3.29 119.26 118.84 1t17 h ALA 125 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1t17 h ALA 125 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1t17 h ALA 125 CO 0.00 -0.06 -0.19 -2.95 0.00 0.00 0.00 179.25 176.06 1t17 h ASN 126 N -0.96 0.00 -0.96 0.00 7.08 -1.26 -3.00 115.58 116.49 1t17 h ASN 126 Ca -0.00 0.00 0.29 0.00 -3.08 0.00 0.00 56.30 53.51 1t17 h ASN 126 Cb 0.65 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 36.72 1t17 h ASN 126 CO 0.01 0.19 0.24 1.62 -2.08 0.00 0.00 177.43 177.40 1t17 h VAL 127 N 0.00 0.13 -0.49 6.14 3.04 -0.95 1.67 116.25 125.79 1t17 h VAL 127 Ca -0.00 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 1t17 h VAL 127 Cb 0.60 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 1t17 h VAL 127 CO 0.02 0.02 0.24 -0.78 -1.01 0.00 0.00 177.57 176.06 1t17 h ASP 128 N 0.09 0.64 -0.11 3.17 3.58 -1.68 0.15 116.42 122.26 1t17 h ASP 128 Ca 0.65 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.98 1t17 h ASP 128 Cb 1.44 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 1t17 h ASP 128 CO -0.78 0.58 0.06 0.03 -2.88 0.00 0.00 179.24 176.24 1t17 h ARG 129 N 0.65 0.12 -0.72 0.28 2.47 0.21 0.14 114.38 117.53 1t17 h ARG 129 Ca 0.17 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.93 1t17 h ARG 129 Cb 0.11 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 1t17 h ARG 129 CO -0.02 0.08 0.43 0.00 0.56 0.00 0.00 179.97 181.02 1t17 h ALA 130 N 1.05 0.97 -0.18 0.04 0.00 -0.14 0.94 119.26 121.94 1t17 h ALA 130 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1t17 h ALA 130 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1t17 h ALA 130 CO -0.03 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.33 1t17 h ALA 131 N 1.34 1.57 -0.35 0.00 0.00 -0.39 0.29 119.26 121.72 1t17 h ALA 131 Ca 0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1t17 h ALA 131 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1t17 h ALA 131 CO -0.15 0.31 -0.10 0.78 0.00 0.00 0.00 179.25 180.09 1t17 h GLY 132 N 0.65 0.74 1.35 0.00 0.00 0.16 0.34 103.07 106.31 1t17 h GLY 132 Ca 0.06 -0.62 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 1t17 h GLY 132 CO 0.01 0.57 -0.64 0.07 0.00 0.00 0.00 176.54 176.55 1t17 h LYS 133 N 0.47 0.66 -0.56 4.80 2.10 -0.57 0.72 116.57 124.18 1t17 h LYS 133 Ca 0.09 -0.47 -0.11 0.00 -2.00 0.00 0.00 60.65 58.16 1t17 h LYS 133 Cb 0.61 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1t17 h LYS 133 CO 0.04 1.09 -0.08 1.37 -2.00 0.00 0.00 179.45 179.87 1t17 h LEU 134 N 0.48 1.04 -0.59 7.07 8.10 -0.34 0.43 115.31 131.50 1t17 h LEU 134 Ca -0.01 -0.34 -0.15 0.00 0.11 0.00 0.00 57.88 57.49 1t17 h LEU 134 Cb 1.22 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.15 1t17 h LEU 134 CO 0.13 1.13 -0.50 0.40 -4.11 0.00 0.00 178.44 175.49 1t17 h ILE 135 N 0.93 1.32 -0.02 0.15 2.04 -0.23 -1.42 117.51 120.28 1t17 h ILE 135 Ca 0.15 -1.72 -0.14 0.00 1.00 0.00 0.00 64.86 64.15 1t17 h ILE 135 Cb 0.65 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1t17 h ILE 135 CO 0.04 0.53 -0.64 0.00 0.00 0.00 0.00 178.15 178.09 1t17 h ALA 136 N 1.04 0.91 0.02 1.87 0.00 -0.52 0.16 119.26 122.75 1t17 h ALA 136 Ca 0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1t17 h ALA 136 Cb 1.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1t17 h ALA 136 CO 0.09 0.79 -0.01 0.00 0.00 0.00 0.00 179.25 180.12 1t17 h PHE 138 N -0.41 0.52 -0.20 0.00 3.57 -1.21 -1.03 116.94 118.18 1t17 h PHE 138 Ca -0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1t17 h PHE 138 Cb 0.39 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1t17 h PHE 138 CO 0.05 0.61 0.11 1.49 -2.23 0.00 0.00 178.31 178.34 1t17 h GLU 139 N 0.29 0.29 -0.60 1.11 4.22 -0.68 0.85 114.58 120.06 1t17 h GLU 139 Ca 0.08 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.54 1t17 h GLU 139 Cb 0.39 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1t17 h GLU 139 CO 0.01 0.29 0.31 0.00 -2.18 0.00 0.00 179.01 177.44 1t17 h ALA 140 N 0.98 0.79 -0.42 2.92 0.00 -0.11 0.71 119.26 124.12 1t17 h ALA 140 Ca 0.07 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1t17 h ALA 140 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1t17 h ALA 140 CO -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.25 1t17 h ARG 141 N 0.57 0.65 -0.50 0.00 3.08 -0.81 0.37 114.38 117.73 1t17 h ARG 141 Ca 0.27 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1t17 h ARG 141 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1t17 h ARG 141 CO -0.19 0.63 0.13 0.00 -1.07 0.00 0.00 179.97 179.47 1t17 h ALA 142 N 1.44 0.66 -0.05 0.04 0.00 0.88 0.61 119.26 122.85 1t17 h ALA 142 Ca 0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1t17 h ALA 142 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1t17 h ALA 142 CO 0.00 0.34 -0.67 0.37 0.00 0.00 0.00 179.25 179.30 1t17 h GLN 143 N 0.69 0.23 -0.26 0.00 4.15 -0.40 -1.42 115.11 118.10 1t17 h GLN 143 Ca 0.16 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1t17 h GLN 143 Cb 0.31 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1t17 h GLN 143 CO -0.00 0.82 -0.27 0.37 -1.93 0.00 0.00 178.83 177.82 1t17 h GLN 144 N 0.16 0.52 0.20 1.69 4.15 0.09 1.10 115.11 123.02 1t17 h GLN 144 Ca -0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1t17 h GLN 144 Cb 1.21 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1t17 h GLN 144 CO 0.10 0.74 -0.09 1.25 -1.93 0.00 0.00 178.83 178.90 1t17 h LEU 145 N 0.45 -0.22 -1.64 -2.39 5.85 -0.76 -3.11 115.31 113.50 1t17 h LEU 145 Ca 0.06 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1t17 h LEU 145 Cb 0.71 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1t17 h LEU 145 CO 0.05 0.31 -0.16 0.45 -0.34 0.00 0.00 178.44 178.76 1t17 h HIS 146 N -0.97 0.02 0.05 1.25 3.86 -1.27 -2.89 115.15 115.20 1t17 h HIS 146 Ca -0.03 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1t17 h HIS 146 Cb 0.45 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 1t17 h HIS 146 CO 0.06 0.19 -0.36 0.78 0.86 0.00 0.00 177.93 179.46 1t17 h GLY 147 N 0.53 -0.65 0.00 2.45 0.00 0.12 -3.50 103.07 102.01 1t17 h GLY 147 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1t17 h GLY 147 CO 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 176.54 176.31