#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 2.84 -0.12 2.03 0.00 -1.26 -4.99 115.29 113.79 1t17 s HIS 2 Ca 0.00 1.55 -0.01 0.00 -3.00 0.00 0.00 55.06 53.59 1t17 s HIS 2 Cb 0.00 -3.14 0.04 0.00 -4.00 0.00 0.00 32.58 25.47 1t17 s HIS 2 CO 0.00 -1.25 -0.01 0.50 -1.00 0.00 0.00 174.74 172.98 1t17 s ARG 3 N -3.54 0.90 -0.21 -0.38 3.52 -1.26 -3.65 118.95 114.33 1t17 s ARG 3 Ca 0.68 -0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 56.02 1t17 s ARG 3 Cb -0.19 -1.47 -0.05 0.00 -1.56 0.00 0.00 34.95 31.68 1t17 s ARG 3 CO 0.29 -0.38 0.18 -1.01 -0.81 0.00 0.00 175.30 173.56 1t17 s HIS 4 N 1.85 3.37 0.00 5.12 3.76 0.17 -4.98 115.29 124.58 1t17 s HIS 4 Ca 0.03 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1t17 s HIS 4 Cb -0.14 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 1t17 s HIS 4 CO -0.07 0.16 0.06 0.54 -0.85 0.00 0.00 174.74 174.59 1t17 s VAL 5 N 0.75 4.58 -0.25 -0.90 0.11 -1.26 -1.38 120.40 122.05 1t17 s VAL 5 Ca 0.09 -0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1t17 s VAL 5 Cb -0.13 -3.09 0.11 0.00 -1.53 0.00 0.00 36.38 31.75 1t17 s VAL 5 CO 0.02 0.34 0.23 -0.69 -3.33 0.00 0.00 175.10 171.68 1t17 s VAL 6 N -1.18 -0.31 -0.19 2.04 1.01 -0.53 -5.01 120.40 116.23 1t17 s VAL 6 Ca 0.22 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1t17 s VAL 6 Cb -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1t17 s VAL 6 CO 0.13 -0.40 -0.11 -0.89 0.00 0.00 0.00 175.10 173.83 1t17 s THR 7 N 2.30 2.89 0.32 3.92 2.01 -1.26 -0.19 115.64 125.62 1t17 s THR 7 Ca 0.08 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1t17 s THR 7 Cb -0.15 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 1t17 s THR 7 CO -0.25 0.48 0.01 -1.59 -0.69 0.00 0.00 174.62 172.58 1t17 s LYS 8 N 1.19 1.64 -0.07 4.92 0.00 -0.58 -5.01 119.74 121.84 1t17 s LYS 8 Ca 0.02 -1.89 -0.01 0.00 0.00 0.00 0.00 55.97 54.09 1t17 s LYS 8 Cb -0.14 -1.05 0.03 0.00 0.00 0.00 0.00 37.83 36.66 1t17 s LYS 8 CO -0.04 -0.09 -0.00 0.08 0.00 0.00 0.00 175.35 175.29 1t17 s VAL 9 N -3.13 0.41 -0.18 1.79 1.01 -1.26 -1.33 120.40 117.70 1t17 s VAL 9 Ca 0.34 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1t17 s VAL 9 Cb 0.07 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1t17 s VAL 9 CO 0.14 0.26 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 1t17 s LEU 10 N 1.86 2.18 -1.18 3.92 1.43 0.01 -4.95 118.68 121.96 1t17 s LEU 10 Ca 0.04 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 1t17 s LEU 10 Cb -0.12 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.53 1t17 s LEU 10 CO -0.05 -0.00 2.36 -0.81 0.23 0.00 0.00 176.35 178.08 1t17 n PRO 11 N 4.63 2.59 -4.18 1.29 -0.04 -1.26 -1.53 135.00 136.50 1t17 n PRO 11 Ca -0.21 -1.89 -0.16 0.00 -0.04 0.00 0.00 63.50 61.20 1t17 n PRO 11 Cb 0.50 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.25 1.33 0.74 0.54 2.02 -1.26 -4.92 117.35 119.05 1t17 s TYR 12 Ca 0.52 -1.43 -0.11 0.00 -0.37 0.00 0.00 57.07 55.68 1t17 s TYR 12 Cb 0.14 -0.39 0.04 0.00 -0.40 0.00 0.00 41.96 41.34 1t17 s TYR 12 CO -0.03 -0.96 1.09 0.95 -1.57 0.00 0.00 175.55 175.04 1t17 s THR 13 N -3.40 3.39 -2.00 -0.71 -4.23 -1.26 -4.33 115.64 103.10 1t17 s THR 13 Ca 0.35 0.49 0.23 0.00 -1.18 0.00 0.00 61.69 61.59 1t17 s THR 13 Cb 0.02 -3.01 0.66 0.00 1.34 0.00 0.00 72.50 71.51 1t17 s THR 13 CO 0.22 -0.56 1.77 -0.81 -0.54 0.00 0.00 174.62 174.70 1t17 n PRO 14 N -3.26 0.75 -0.14 3.99 -0.04 -1.26 -3.01 135.00 132.03 1t17 n PRO 14 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1t17 n PRO 14 Cb 0.53 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.96 -0.36 3.54 1.82 -2.02 -2.37 116.42 117.99 1t17 h ASP 15 Ca 0.00 -0.35 0.10 0.00 -0.39 0.00 0.00 57.03 56.39 1t17 h ASP 15 Cb 0.00 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.73 1t17 h ASP 15 CO 0.00 1.13 0.41 1.56 -1.61 0.00 0.00 179.24 180.73 1t17 h GLN 16 N 0.82 0.00 -0.38 0.28 7.50 -1.93 0.35 115.11 121.75 1t17 h GLN 16 Ca 0.11 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.16 1t17 h GLN 16 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.28 1t17 h GLN 16 CO 0.06 0.00 -0.17 -0.07 -1.50 0.00 0.00 178.83 177.15 1t17 h LEU 17 N 0.00 0.81 -1.03 1.46 3.38 -1.65 -2.69 115.31 115.58 1t17 h LEU 17 Ca 0.17 -0.40 0.30 0.00 0.09 0.00 0.00 57.88 58.05 1t17 h LEU 17 Cb 0.99 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 1t17 h LEU 17 CO -0.00 1.02 0.59 0.15 0.09 0.00 0.00 178.44 180.29 1t17 h PHE 18 N 0.58 0.93 0.00 1.13 3.04 -0.36 1.89 116.94 124.16 1t17 h PHE 18 Ca 0.09 0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.93 1t17 h PHE 18 Cb 0.71 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1t17 h PHE 18 CO 0.06 -0.11 -0.69 0.93 -2.02 0.00 0.00 178.31 176.48 1t17 h GLU 19 N 0.39 0.00 0.09 1.11 5.08 -1.55 -2.73 114.58 116.97 1t17 h GLU 19 Ca 0.71 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.80 1t17 h GLU 19 Cb 1.58 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.86 1t17 h GLU 19 CO -0.56 0.69 -1.10 -0.07 -1.00 0.00 0.00 179.01 176.97 1t17 h LEU 20 N 0.00 0.82 -1.05 1.33 3.38 0.20 -0.93 115.31 119.06 1t17 h LEU 20 Ca -0.01 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.13 1t17 h LEU 20 Cb 1.44 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1t17 h LEU 20 CO 0.09 1.54 0.40 0.58 0.09 0.00 0.00 178.44 181.14 1t17 h VAL 21 N 0.20 1.23 -0.63 1.22 2.07 0.23 -1.40 116.25 119.17 1t17 h VAL 21 Ca -0.16 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1t17 h VAL 21 Cb 1.78 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1t17 h VAL 21 CO 0.21 0.26 0.11 0.61 0.02 0.00 0.00 177.57 178.79 1t17 n GLY 22 N -1.15 3.35 0.00 2.17 0.00 -1.03 -4.38 105.19 104.15 1t17 n GLY 22 Ca 0.08 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 0.23 0.00 0.14 1.61 -0.08 -0.35 0.22 116.55 118.31 1t17 n ASP 23 Ca 0.33 0.37 0.12 0.00 -1.51 0.00 0.00 54.79 54.11 1t17 n ASP 23 Cb 1.27 -0.43 0.16 0.00 2.34 0.00 0.00 41.12 44.46 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 -1.79 -3.31 116.25 114.82 1t17 h VAL 24 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1t17 h VAL 24 Cb 0.15 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1t17 h VAL 24 CO 0.00 0.00 -0.04 -0.67 -1.23 0.00 0.00 177.57 175.63 1t17 n ASP 25 N -2.65 0.37 0.00 4.19 -0.08 0.16 -4.12 116.55 114.42 1t17 n ASP 25 Ca 0.03 -1.28 0.00 0.00 -1.51 0.00 0.00 54.79 52.03 1t17 n ASP 25 Cb 0.50 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t17 n ALA 26 N -0.11 0.86 -2.86 -1.67 0.00 0.60 -5.07 120.51 112.27 1t17 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t17 n ALA 26 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 -1.79 0.00 4.11 -1.25 -4.65 117.16 113.59 1t17 n TYR 27 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.50 1t17 n TYR 27 Cb 0.00 -0.89 -0.03 0.00 -0.00 0.00 0.00 39.34 38.42 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 1.61 2.26 -1.08 -3.48 -0.04 -1.26 -4.82 135.00 128.19 1t17 n PRO 28 Ca 0.00 -2.48 0.14 0.00 -0.04 0.00 0.00 63.50 61.12 1t17 n PRO 28 Cb 0.29 -3.30 -0.05 0.00 -0.04 0.00 0.00 33.50 30.40 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 7.28 -2.35 -2.22 0.54 4.76 -1.26 -5.03 118.16 119.88 1t17 n LYS 29 Ca 0.49 1.77 -0.01 0.00 -2.87 0.00 0.00 58.31 57.69 1t17 n LYS 29 Cb 0.42 -2.80 -0.01 0.00 -1.84 0.00 0.00 35.03 30.81 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1t17 n PHE 30 N -3.85 -4.16 -2.70 2.13 -0.00 -1.26 -5.06 117.46 102.57 1t17 n PHE 30 Ca -0.03 2.46 -0.06 0.00 -0.00 0.00 0.00 57.45 59.83 1t17 n PHE 30 Cb 0.50 -3.61 0.06 0.00 -0.00 0.00 0.00 39.48 36.43 1t17 n PHE 30 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1t17 n VAL 31 N 1.57 0.00 0.01 -2.13 0.24 -1.26 -5.04 118.33 111.72 1t17 n VAL 31 Ca -0.06 -0.93 -0.10 0.00 -2.04 0.00 0.00 64.34 61.20 1t17 n VAL 31 Cb 0.10 1.18 -0.08 0.00 -1.47 0.00 0.00 33.84 33.57 1t17 n VAL 31 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1t17 h PRO 32 N 3.63 -0.12 -1.78 7.34 0.13 -1.96 -3.16 132.00 136.08 1t17 h PRO 32 Ca -0.17 0.01 0.53 0.00 -0.87 0.00 0.00 66.00 65.50 1t17 h PRO 32 Cb 1.14 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1t17 h PRO 32 CO 0.01 0.38 1.26 -2.67 -0.23 0.00 0.00 178.00 176.75 1t17 n TRP 33 N -4.83 0.14 -3.99 1.56 2.14 -1.26 -4.35 117.44 106.85 1t17 n TRP 33 Ca -0.07 0.15 0.00 0.00 2.07 0.00 0.00 57.50 59.64 1t17 n TRP 33 Cb 0.28 -0.61 0.00 0.00 -0.81 0.00 0.00 31.31 30.17 1t17 n TRP 33 CO 0.00 0.00 0.00 1.51 2.07 0.00 0.00 177.69 181.27 1t17 n ILE 34 N -4.00 0.00 0.00 -1.67 3.06 -1.20 -4.67 119.36 110.88 1t17 n ILE 34 Ca 0.42 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.67 1t17 n ILE 34 Cb 1.85 0.00 0.00 0.00 0.54 0.00 0.00 39.64 42.03 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 0.00 0.00 -3.46 9.51 5.66 -1.25 -4.40 114.28 120.34 1t17 n THR 35 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1t17 n THR 35 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 -0.86 1.65 -0.04 1.09 0.00 -1.26 -4.92 107.32 102.98 1t17 s GLY 36 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 1t17 s GLY 36 CO 0.00 -0.69 0.73 -3.16 0.00 0.00 0.00 173.10 169.98 1t17 s MET 37 N -3.76 1.00 -0.28 2.90 0.00 -1.25 -0.63 119.30 117.28 1t17 s MET 37 Ca 0.41 0.12 -0.17 0.00 0.00 0.00 0.00 55.69 56.05 1t17 s MET 37 Cb -0.10 0.47 0.11 0.00 0.00 0.00 0.00 34.83 35.30 1t17 s MET 37 CO 0.32 -0.34 0.82 0.50 0.00 0.00 0.00 175.02 176.32 1t17 s ARG 38 N -1.60 0.59 -0.08 3.16 6.06 -0.68 -4.97 118.95 121.41 1t17 s ARG 38 Ca -0.07 0.97 -0.01 0.00 -2.50 0.00 0.00 55.73 54.12 1t17 s ARG 38 Cb -0.00 0.14 0.03 0.00 0.06 0.00 0.00 34.95 35.17 1t17 s ARG 38 CO 0.05 -0.12 -0.03 0.95 -2.50 0.00 0.00 175.30 173.65 1t17 s THR 39 N 1.36 0.61 0.00 4.11 -4.23 -1.26 -0.61 115.64 115.62 1t17 s THR 39 Ca -0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1t17 s THR 39 Cb -0.04 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1t17 s THR 39 CO -0.16 0.30 0.00 -2.67 -0.54 0.00 0.00 174.62 171.55 1t17 n TRP 40 N 5.00 0.00 -2.25 3.99 2.14 -0.98 -4.97 117.44 120.37 1t17 n TRP 40 Ca -0.10 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.43 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 -1.28 0.00 -0.67 3.02 -1.26 -2.27 115.26 112.79 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 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 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 1.23 -0.83 3.14 7.41 0.00 -1.26 -1.90 105.19 112.97 1t17 n GLY 42 Ca -0.28 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.17 0.65 -0.10 1.61 1.70 0.13 -4.98 118.95 117.79 1t17 s ARG 43 Ca 0.00 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.43 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 -0.17 -0.03 0.54 -1.08 0.00 0.00 175.30 174.56 1t17 s VAL 44 N -2.95 0.71 -0.06 4.99 0.11 -1.26 -0.97 120.40 120.96 1t17 s VAL 44 Ca -0.02 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1t17 s VAL 44 Cb 0.01 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1t17 s VAL 44 CO -0.06 0.27 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.27 1t17 s ASP 45 N 1.83 1.53 0.51 3.54 -1.08 -0.18 -5.01 116.67 117.81 1t17 s ASP 45 Ca 0.04 -0.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 1t17 s ASP 45 Cb -0.13 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.64 1t17 s ASP 45 CO -0.07 -0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1t17 n GLY 46 N 4.01 2.77 1.97 2.66 0.00 -1.26 0.59 105.19 115.92 1t17 n GLY 46 Ca -0.22 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 8.18 5.18 -2.77 4.61 0.00 -1.26 -4.86 120.51 129.59 1t17 n ALA 47 Ca 0.00 -2.19 -0.16 0.00 0.00 0.00 0.00 53.44 51.09 1t17 n ALA 47 Cb 0.00 -1.43 -0.13 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 -2.84 0.73 -0.09 0.00 1.01 0.20 -0.89 120.40 118.52 1t17 s VAL 48 Ca 0.42 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1t17 s VAL 48 Cb 0.34 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 36.04 1t17 s VAL 48 CO 0.03 -0.16 0.21 -0.44 0.00 0.00 0.00 175.10 174.73 1t17 s SER 49 N -1.19 -0.21 -0.06 3.32 0.01 -0.27 -1.01 113.70 114.28 1t17 s SER 49 Ca -0.04 0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1t17 s SER 49 Cb -0.08 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.52 1t17 s SER 49 CO 0.01 -0.15 -0.07 -0.89 0.41 0.00 0.00 173.24 172.55 1t17 s THR 50 N 1.06 0.79 0.29 1.44 2.01 -0.15 -0.36 115.64 120.72 1t17 s THR 50 Ca -0.08 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 1t17 s THR 50 Cb -0.09 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1t17 s THR 50 CO -0.06 0.29 0.53 0.68 -0.69 0.00 0.00 174.62 175.36 1t17 s VAL 51 N 0.98 0.00 0.23 3.82 -7.23 -0.54 0.21 120.40 117.86 1t17 s VAL 51 Ca -0.10 -1.38 -0.28 0.00 -1.81 0.00 0.00 61.98 58.41 1t17 s VAL 51 Cb -0.15 -2.37 -0.09 0.00 0.56 0.00 0.00 36.38 34.34 1t17 s VAL 51 CO 0.00 0.00 0.90 -1.81 -0.31 0.00 0.00 175.10 173.88 1t17 s ASP 52 N -3.07 7.56 -0.21 4.85 -0.00 -0.80 0.11 116.67 125.12 1t17 s ASP 52 Ca 0.23 1.87 0.01 0.00 -0.00 0.00 0.00 52.55 54.66 1t17 s ASP 52 Cb -0.01 -2.58 0.04 0.00 -0.00 0.00 0.00 42.92 40.37 1t17 s ASP 52 CO 0.12 0.15 -0.11 0.00 -0.00 0.00 0.00 175.17 175.32 1t17 s ALA 53 N -1.22 2.14 -0.43 5.23 0.00 0.51 -2.33 121.76 125.68 1t17 s ALA 53 Ca 0.41 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1t17 s ALA 53 Cb -0.25 -1.33 0.11 0.00 0.00 0.00 0.00 23.12 21.65 1t17 s ALA 53 CO 0.30 -0.85 0.25 -2.00 0.00 0.00 0.00 175.76 173.46 1t17 s GLU 54 N 1.33 2.24 0.33 0.00 2.12 0.22 0.15 118.70 125.09 1t17 s GLU 54 Ca -0.02 -1.74 0.07 0.00 0.36 0.00 0.00 54.97 53.65 1t17 s GLU 54 Cb -0.17 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 1t17 s GLU 54 CO -0.08 -1.08 0.28 0.00 -0.54 0.00 0.00 175.26 173.84 1t17 s ALA 55 N 1.25 3.81 0.39 6.30 0.00 -0.39 -1.69 121.76 131.43 1t17 s ALA 55 Ca 0.06 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.42 1t17 s ALA 55 Cb -0.24 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 1t17 s ALA 55 CO -0.02 0.03 0.11 1.04 0.00 0.00 0.00 175.76 176.92 1t17 n GLN 56 N -1.35 0.65 -4.02 0.00 6.02 0.20 -1.64 117.38 117.23 1t17 n GLN 56 Ca -0.02 -3.22 -0.22 0.00 -0.01 0.00 0.00 57.00 53.52 1t17 n GLN 56 Cb 0.60 1.61 -0.17 0.00 1.02 0.00 0.00 30.24 33.29 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 -2.92 0.55 -0.41 5.09 -7.23 -1.24 -3.80 120.40 110.44 1t17 s VAL 57 Ca 0.16 -0.07 0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1t17 s VAL 57 Cb 0.01 -0.62 0.27 0.00 0.56 0.00 0.00 36.38 36.60 1t17 s VAL 57 CO 0.11 0.26 0.58 0.61 -0.31 0.00 0.00 175.10 176.35 1t17 n GLY 58 N 4.50 3.22 0.00 2.32 0.00 -1.26 -4.40 105.19 109.57 1t17 n GLY 58 Ca -0.17 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 1.15 0.00 1.68 1.61 7.35 -1.26 -4.84 117.46 123.15 1t17 n PHE 59 Ca 0.23 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.94 1t17 n PHE 59 Cb 0.54 0.00 0.16 0.00 0.35 0.00 0.00 39.48 40.52 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1t17 n SER 60 N 0.00 0.00 0.00 -2.13 7.64 -1.26 -4.80 113.62 113.07 1t17 n SER 60 Ca 0.00 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1t17 n SER 60 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.60 0.00 -3.92 1.43 -0.00 -1.26 -4.91 117.46 108.21 1t17 n PHE 61 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.19 1t17 n PHE 61 Cb 0.02 -1.66 -0.14 0.00 -0.00 0.00 0.00 39.48 37.70 1t17 n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1t17 s LEU 62 N 0.00 4.04 -0.91 -2.13 0.20 -1.26 -5.05 118.68 113.57 1t17 s LEU 62 Ca 0.00 -2.59 -0.24 0.00 0.69 0.00 0.00 54.13 51.99 1t17 s LEU 62 Cb 0.00 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.28 1t17 s LEU 62 CO 0.00 -0.30 1.65 -0.60 -0.29 0.00 0.00 176.35 176.82 1t17 s ARG 63 N 0.32 3.08 -0.09 1.98 3.52 -1.26 -4.66 118.95 121.84 1t17 s ARG 63 Ca 0.15 -0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 55.13 1t17 s ARG 63 Cb -0.23 -5.04 0.03 0.00 -1.56 0.00 0.00 34.95 28.16 1t17 s ARG 63 CO -0.04 -2.68 0.21 -1.21 -0.81 0.00 0.00 175.30 170.77 1t17 s GLU 64 N 5.99 0.20 0.21 5.12 2.02 -1.26 -5.05 118.70 125.92 1t17 s GLU 64 Ca 0.56 0.40 -0.03 0.00 0.02 0.00 0.00 54.97 55.91 1t17 s GLU 64 Cb -0.04 -0.04 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 1t17 s GLU 64 CO -0.01 -0.11 0.43 -1.59 0.02 0.00 0.00 175.26 174.00 1t17 s LYS 65 N 0.78 3.59 0.04 1.61 -2.85 -1.26 -3.62 119.74 118.03 1t17 s LYS 65 Ca -0.06 -0.15 -0.10 0.00 -1.00 0.00 0.00 55.97 54.67 1t17 s LYS 65 Cb -0.07 -2.79 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 1t17 s LYS 65 CO -0.05 0.37 0.20 -0.06 0.10 0.00 0.00 175.35 175.92 1t17 s PHE 66 N -1.86 0.05 0.01 1.78 0.08 -0.65 -4.92 117.98 112.46 1t17 s PHE 66 Ca 0.41 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.20 1t17 s PHE 66 Cb -0.11 -0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.30 1t17 s PHE 66 CO 0.28 -0.44 -0.08 0.00 -0.10 0.00 0.00 175.22 174.88 1t17 s ALA 67 N -2.65 0.63 0.14 5.36 0.00 -1.26 -1.26 121.76 122.72 1t17 s ALA 67 Ca -0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1t17 s ALA 67 Cb -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1t17 s ALA 67 CO -0.04 0.12 0.34 0.95 0.00 0.00 0.00 175.76 177.13 1t17 s THR 68 N -0.44 0.08 -0.41 0.00 -4.23 0.12 -0.60 115.64 110.17 1t17 s THR 68 Ca 0.00 -0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 1t17 s THR 68 Cb -0.04 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1t17 s THR 68 CO -0.00 -0.36 0.89 -0.13 -0.54 0.00 0.00 174.62 174.48 1t17 s ARG 69 N -3.87 3.67 -0.05 3.99 1.81 -0.14 0.19 118.95 124.55 1t17 s ARG 69 Ca 0.08 0.31 -0.16 0.00 -1.72 0.00 0.00 55.73 54.25 1t17 s ARG 69 Cb 0.02 -3.86 -0.05 0.00 -0.45 0.00 0.00 34.95 30.61 1t17 s ARG 69 CO -0.07 -1.05 0.41 0.54 -0.68 0.00 0.00 175.30 174.45 1t17 s VAL 70 N 3.51 5.11 -0.14 3.52 0.11 0.12 -1.38 120.40 131.24 1t17 s VAL 70 Ca 0.36 0.83 -0.00 0.00 -2.93 0.00 0.00 61.98 60.24 1t17 s VAL 70 Cb -0.11 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 1t17 s VAL 70 CO 0.22 0.49 -0.08 -0.13 -3.33 0.00 0.00 175.10 172.27 1t17 s ARG 71 N -0.43 1.64 0.15 1.54 0.52 0.13 -1.47 118.95 121.03 1t17 s ARG 71 Ca 0.23 -0.41 0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1t17 s ARG 71 Cb -0.16 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 1t17 s ARG 71 CO 0.11 -0.32 -0.14 -0.98 0.02 0.00 0.00 175.30 174.00 1t17 s ARG 72 N 1.64 1.94 -0.11 3.54 1.70 0.51 -1.38 118.95 126.79 1t17 s ARG 72 Ca 0.03 -1.21 -0.05 0.00 -0.47 0.00 0.00 55.73 54.03 1t17 s ARG 72 Cb -0.14 -2.15 0.05 0.00 -0.57 0.00 0.00 34.95 32.15 1t17 s ARG 72 CO -0.08 0.46 0.24 0.34 -1.08 0.00 0.00 175.30 175.18 1t17 s ASP 73 N -2.47 -0.03 0.06 -2.89 3.68 -0.99 -1.12 116.67 112.90 1t17 s ASP 73 Ca 0.22 0.53 0.22 0.00 2.13 0.00 0.00 52.55 55.64 1t17 s ASP 73 Cb -0.10 0.48 -0.18 0.00 -1.45 0.00 0.00 42.92 41.67 1t17 s ASP 73 CO 0.13 -0.19 0.71 2.29 0.13 0.00 0.00 175.17 178.24 1t17 n LYS 74 N 4.61 0.64 0.02 4.34 -0.00 -0.07 -1.58 118.16 126.12 1t17 n LYS 74 Ca -0.19 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.31 58.06 1t17 n LYS 74 Cb 0.52 -1.67 -0.10 0.00 -0.00 0.00 0.00 35.03 33.78 1t17 n LYS 74 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1t17 h ASP 75 N 0.00 0.00 0.25 -5.58 5.19 -1.95 -3.33 116.42 111.00 1t17 h ASP 75 Ca -0.04 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1t17 h ASP 75 Cb 1.11 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1t17 h ASP 75 CO 0.01 0.75 -1.85 0.00 -3.12 0.00 0.00 179.24 175.03 1t17 n ALA 76 N -2.44 2.36 -3.01 3.45 0.00 -1.26 -4.98 120.51 114.64 1t17 n ALA 76 Ca -0.11 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 52.46 1t17 n ALA 76 Cb 0.91 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.52 -4.88 -4.30 0.00 1.74 -0.62 -4.99 116.66 101.10 1t17 n ARG 77 Ca -0.10 0.88 -0.16 0.00 -0.77 0.00 0.00 57.85 57.70 1t17 n ARG 77 Cb 0.73 -5.69 -0.10 0.00 -1.02 0.00 0.00 32.46 26.38 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 -2.74 1.81 0.00 0.55 1.04 -1.17 -4.39 113.70 108.81 1t17 s SER 78 Ca 0.30 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1t17 s SER 78 Cb -0.13 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 65.99 1t17 s SER 78 CO 0.38 -0.45 -0.01 -0.63 0.98 0.00 0.00 173.24 173.50 1t17 s ILE 79 N -3.39 0.09 -0.10 -1.02 -1.09 -0.48 -2.35 121.20 112.86 1t17 s ILE 79 Ca 0.25 -0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 1t17 s ILE 79 Cb 0.05 -0.11 0.03 0.00 -1.58 0.00 0.00 42.46 40.84 1t17 s ILE 79 CO 0.06 -0.05 0.31 -0.62 -1.23 0.00 0.00 174.94 173.41 1t17 s ASP 80 N -0.24 -0.30 -0.02 3.58 3.68 -0.48 -1.47 116.67 121.42 1t17 s ASP 80 Ca -0.02 0.54 0.01 0.00 2.13 0.00 0.00 52.55 55.20 1t17 s ASP 80 Cb -0.02 0.59 0.02 0.00 -1.45 0.00 0.00 42.92 42.06 1t17 s ASP 80 CO -0.00 -0.17 -0.02 -0.69 0.13 0.00 0.00 175.17 174.42 1t17 s VAL 81 N -0.10 0.27 0.16 1.11 1.01 0.56 0.21 120.40 123.61 1t17 s VAL 81 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1t17 s VAL 81 Cb -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1t17 s VAL 81 CO 0.01 0.13 -0.12 -0.44 0.00 0.00 0.00 175.10 174.68 1t17 s SER 82 N 0.61 4.16 0.21 3.32 0.01 -0.48 -1.44 113.70 120.09 1t17 s SER 82 Ca -0.06 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 1t17 s SER 82 Cb -0.10 -0.68 -0.08 0.00 0.21 0.00 0.00 66.02 65.37 1t17 s SER 82 CO -0.01 0.13 1.13 -0.22 0.41 0.00 0.00 173.24 174.68 1t17 s LEU 83 N -2.59 4.49 0.13 2.44 2.96 -1.08 -0.96 118.68 124.07 1t17 s LEU 83 Ca 0.23 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1t17 s LEU 83 Cb -0.09 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1t17 s LEU 83 CO 0.14 -0.24 0.00 -0.11 -1.32 0.00 0.00 176.35 174.81 1t17 n LEU 84 N 2.09 0.79 0.00 -0.68 7.94 -1.23 -4.82 117.00 121.10 1t17 n LEU 84 Ca 0.02 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1t17 n LEU 84 Cb 0.45 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1t17 n LEU 84 CO 0.54 -0.72 0.06 -1.22 -1.11 0.00 0.00 177.39 174.94 1t17 n TYR 85 N -3.45 0.00 0.00 1.96 4.02 -0.91 -4.80 117.16 113.97 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 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 0.07 -0.82 0.00 2.72 0.00 0.23 -3.73 105.19 103.66 1t17 n GLY 86 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.11 1.61 -0.04 -1.26 -4.74 135.00 127.21 1t17 n PRO 87 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1t17 n PRO 87 Cb 0.00 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.98 -1.01 0.20 0.54 7.35 -1.24 -4.43 117.46 117.89 1t17 n PHE 88 Ca 0.17 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 1t17 n PHE 88 Cb 0.08 -1.72 0.00 0.00 0.35 0.00 0.00 39.48 38.19 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 -3.63 0.00 -3.55 -4.13 4.81 -1.26 -5.11 118.16 105.29 1t17 n LYS 89 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1t17 n LYS 89 Cb 0.42 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.41 1t17 n LYS 89 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1t17 s ARG 90 N -1.94 0.28 -0.26 1.64 0.52 -1.26 -5.04 118.95 112.88 1t17 s ARG 90 Ca 0.00 0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 55.48 1t17 s ARG 90 Cb 0.00 0.16 0.17 0.00 0.52 0.00 0.00 34.95 35.80 1t17 s ARG 90 CO 0.00 -0.07 1.28 -1.17 0.02 0.00 0.00 175.30 175.36 1t17 s LEU 91 N 1.62 -0.15 -0.09 2.53 0.20 -1.26 -0.95 118.68 120.58 1t17 s LEU 91 Ca -0.07 0.21 -0.24 0.00 0.69 0.00 0.00 54.13 54.73 1t17 s LEU 91 Cb -0.04 1.32 0.06 0.00 -0.43 0.00 0.00 46.19 47.10 1t17 s LEU 91 CO -0.15 -0.10 0.57 0.20 -0.29 0.00 0.00 176.35 176.58 1t17 s ASN 92 N -0.61 -0.54 -0.04 3.68 0.01 -0.84 -2.65 114.94 113.96 1t17 s ASN 92 Ca 0.06 0.71 -0.01 0.00 -0.71 0.00 0.00 52.86 52.90 1t17 s ASN 92 Cb -0.02 0.68 0.03 0.00 0.41 0.00 0.00 41.25 42.35 1t17 s ASN 92 CO -0.08 -0.46 0.08 0.20 -1.51 0.00 0.00 177.10 175.34 1t17 s ASN 93 N -0.79 0.01 0.01 -1.22 0.02 -0.52 0.29 114.94 112.75 1t17 s ASN 93 Ca -0.08 0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 1t17 s ASN 93 Cb -0.02 0.04 -0.01 0.00 0.02 0.00 0.00 41.25 41.28 1t17 s ASN 93 CO 0.06 -0.14 -0.02 -0.83 0.02 0.00 0.00 177.10 176.19 1t17 s GLY 94 N 1.15 0.14 -0.21 0.66 0.00 -0.56 0.21 107.32 108.70 1t17 s GLY 94 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1t17 s GLY 94 CO -0.04 -0.36 -0.06 -0.98 0.00 0.00 0.00 173.10 171.66 1t17 s TRP 95 N -0.78 2.17 0.09 1.90 0.52 -0.54 -1.38 118.94 120.92 1t17 s TRP 95 Ca -0.08 -1.51 0.07 0.00 0.02 0.00 0.00 56.10 54.60 1t17 s TRP 95 Cb -0.05 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1t17 s TRP 95 CO -0.00 -0.72 -0.10 1.03 0.02 0.00 0.00 176.95 177.18 1t17 s ARG 96 N 1.48 2.17 -0.05 4.98 1.81 0.37 -1.38 118.95 128.33 1t17 s ARG 96 Ca -0.03 -0.99 0.02 0.00 -1.72 0.00 0.00 55.73 53.01 1t17 s ARG 96 Cb -0.17 -2.33 0.02 0.00 -0.45 0.00 0.00 34.95 32.02 1t17 s ARG 96 CO -0.07 0.52 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.92 1t17 s PHE 97 N -1.20 1.14 -0.16 -0.53 0.08 -1.26 -0.73 117.98 115.32 1t17 s PHE 97 Ca 0.21 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 1t17 s PHE 97 Cb -0.11 -0.88 0.08 0.00 -0.57 0.00 0.00 43.02 41.54 1t17 s PHE 97 CO 0.13 -0.23 0.26 -1.64 -0.10 0.00 0.00 175.22 173.65 1t17 s MET 98 N 0.71 0.18 0.63 0.44 -1.94 0.20 -5.01 119.30 114.50 1t17 s MET 98 Ca -0.13 0.56 -0.14 0.00 -1.71 0.00 0.00 55.69 54.28 1t17 s MET 98 Cb -0.15 -0.43 -0.02 0.00 2.01 0.00 0.00 34.83 36.24 1t17 s MET 98 CO 0.02 -0.44 1.05 -1.25 -0.01 0.00 0.00 175.02 174.40 1t17 s PRO 99 N 2.41 3.21 -0.41 2.03 0.04 -1.26 -0.10 135.00 140.92 1t17 s PRO 99 Ca 0.04 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.26 1t17 s PRO 99 Cb -0.13 -2.02 0.34 0.00 0.04 0.00 0.00 34.50 32.72 1t17 s PRO 99 CO -0.10 -0.89 0.90 -0.85 0.04 0.00 0.00 177.00 176.09 1t17 n GLU 100 N -2.45 0.99 0.00 4.56 0.28 -0.69 -4.76 120.64 118.57 1t17 n GLU 100 Ca 0.08 -2.76 0.00 0.00 -0.16 0.00 0.00 57.16 54.32 1t17 n GLU 100 Cb 0.53 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 0.32 0.90 0.17 -1.84 0.00 -1.26 -4.29 105.19 99.19 1t17 n GLY 101 Ca 0.17 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 0.08 -2.12 1.61 2.03 -1.99 -3.44 116.42 112.59 1t17 h ASP 102 Ca 0.00 -0.04 -0.45 0.00 -0.73 0.00 0.00 57.03 55.81 1t17 h ASP 102 Cb 0.00 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1t17 h ASP 102 CO 0.00 0.56 -0.33 0.00 -1.03 0.00 0.00 179.24 178.44 1t17 s ALA 103 N -3.92 4.04 0.09 4.15 0.00 -1.26 -4.43 121.76 120.44 1t17 s ALA 103 Ca -0.03 -1.29 0.10 0.00 0.00 0.00 0.00 51.96 50.74 1t17 s ALA 103 Cb 0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1t17 s ALA 103 CO 0.76 0.01 -0.26 -0.08 0.00 0.00 0.00 175.76 176.19 1t17 s THR 104 N -2.17 2.16 -0.12 0.00 -1.32 -0.58 -1.71 115.64 111.90 1t17 s THR 104 Ca 0.41 -1.57 0.01 0.00 -1.21 0.00 0.00 61.69 59.33 1t17 s THR 104 Cb -0.09 -1.89 -0.01 0.00 -1.51 0.00 0.00 72.50 69.00 1t17 s THR 104 CO 0.32 0.21 -0.15 -0.60 -2.21 0.00 0.00 174.62 172.18 1t17 s ARG 105 N -1.67 3.30 -0.00 7.08 3.52 0.86 -0.81 118.95 131.22 1t17 s ARG 105 Ca 0.12 -0.73 0.08 0.00 -0.13 0.00 0.00 55.73 55.08 1t17 s ARG 105 Cb -0.10 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1t17 s ARG 105 CO 0.04 0.22 -0.26 0.08 -0.81 0.00 0.00 175.30 174.57 1t17 s VAL 106 N 0.32 2.05 -0.10 7.11 1.01 -0.44 0.58 120.40 130.92 1t17 s VAL 106 Ca -0.12 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1t17 s VAL 106 Cb -0.16 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1t17 s VAL 106 CO 0.06 0.51 -0.18 -1.61 0.00 0.00 0.00 175.10 173.88 1t17 s GLU 107 N -0.79 2.49 -0.20 2.72 2.02 0.10 -1.52 118.70 123.52 1t17 s GLU 107 Ca 0.10 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1t17 s GLU 107 Cb -0.10 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.16 1t17 s GLU 107 CO -0.00 0.04 -0.18 0.12 0.02 0.00 0.00 175.26 175.26 1t17 s PHE 108 N 0.70 2.91 -0.17 1.61 5.36 0.73 -0.48 117.98 128.64 1t17 s PHE 108 Ca -0.12 -1.83 -0.07 0.00 -0.96 0.00 0.00 56.93 53.95 1t17 s PHE 108 Cb -0.16 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 1t17 s PHE 108 CO 0.03 -0.83 0.07 0.14 -1.46 0.00 0.00 175.22 173.17 1t17 s VAL 109 N 1.24 4.86 -0.02 3.12 -7.23 -0.48 -1.45 120.40 120.44 1t17 s VAL 109 Ca 0.01 -0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 1t17 s VAL 109 Cb -0.15 -3.18 -0.00 0.00 0.56 0.00 0.00 36.38 33.61 1t17 s VAL 109 CO -0.11 0.48 -0.13 0.27 -0.31 0.00 0.00 175.10 175.30 1t17 s ILE 110 N 0.20 1.07 -0.01 -0.62 -5.25 -0.48 -1.50 121.20 114.61 1t17 s ILE 110 Ca 0.05 -0.54 0.01 0.00 -0.99 0.00 0.00 60.65 59.18 1t17 s ILE 110 Cb -0.12 -0.91 0.00 0.00 2.95 0.00 0.00 42.46 44.38 1t17 s ILE 110 CO 0.00 0.31 -0.04 -1.61 -1.79 0.00 0.00 174.94 171.81 1t17 s GLU 111 N -0.05 0.41 0.26 0.37 2.02 0.15 -0.65 118.70 121.19 1t17 s GLU 111 Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 54.86 1t17 s GLU 111 Cb -0.08 -0.41 -0.04 0.00 0.10 0.00 0.00 34.13 33.69 1t17 s GLU 111 CO 0.00 0.07 0.13 -0.06 0.02 0.00 0.00 175.26 175.42 1t17 s PHE 112 N 0.07 1.45 -0.04 1.61 0.08 -1.24 -1.98 117.98 117.92 1t17 s PHE 112 Ca -0.00 -1.32 -0.02 0.00 0.12 0.00 0.00 56.93 55.70 1t17 s PHE 112 Cb -0.04 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1t17 s PHE 112 CO -0.00 -0.51 0.07 0.00 -0.10 0.00 0.00 175.22 174.68 1t17 s ALA 113 N -3.83 0.16 0.17 5.36 0.00 -0.13 -3.98 121.76 119.51 1t17 s ALA 113 Ca 0.38 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1t17 s ALA 113 Cb 0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1t17 s ALA 113 CO 0.15 -0.46 -0.14 -0.06 0.00 0.00 0.00 175.76 175.25 1t17 s PHE 114 N 2.08 1.54 -0.10 0.00 0.08 -1.26 -4.82 117.98 115.50 1t17 s PHE 114 Ca 0.03 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.39 1t17 s PHE 114 Cb -0.12 -0.75 -0.27 0.00 -0.57 0.00 0.00 43.02 41.30 1t17 s PHE 114 CO -0.03 0.24 0.45 0.87 -0.10 0.00 0.00 175.22 176.65 1t17 h LYS 115 N 2.92 0.29 -6.30 0.44 6.56 -2.01 -3.44 116.57 115.02 1t17 h LYS 115 Ca -0.39 -0.49 -0.59 0.00 -1.06 0.00 0.00 60.65 58.12 1t17 h LYS 115 Cb 1.21 0.18 -0.10 0.00 -0.57 0.00 0.00 32.23 32.95 1t17 h LYS 115 CO 0.58 1.24 0.69 -1.12 -2.06 0.00 0.00 179.45 178.78 1t17 s SER 116 N -7.10 6.52 0.61 0.86 0.01 -1.26 -4.87 113.70 108.47 1t17 s SER 116 Ca -0.21 0.18 0.30 0.00 1.31 0.00 0.00 55.95 57.53 1t17 s SER 116 Cb 0.06 -2.48 1.68 0.00 0.21 0.00 0.00 66.02 65.49 1t17 s SER 116 CO 0.78 -1.14 2.04 0.00 0.41 0.00 0.00 173.24 175.34 1t17 h ALA 117 N 9.16 1.72 0.21 1.44 0.00 -1.99 0.49 119.26 130.29 1t17 h ALA 117 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1t17 h ALA 117 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1t17 h ALA 117 CO 1.07 -0.37 -0.10 -0.07 0.00 0.00 0.00 179.25 179.77 1t17 h LEU 118 N 0.00 -0.24 -2.31 0.00 -0.00 -1.99 -3.07 115.31 107.70 1t17 h LEU 118 Ca 0.09 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1t17 h LEU 118 Cb 0.63 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1t17 h LEU 118 CO -0.00 0.27 0.01 -0.07 -0.00 0.00 0.00 178.44 178.65 1t17 h LEU 119 N -1.02 0.00 0.02 1.67 3.38 -1.67 0.43 115.31 118.12 1t17 h LEU 119 Ca -0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1t17 h LEU 119 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1t17 h LEU 119 CO 0.05 0.00 -0.10 -0.78 0.09 0.00 0.00 178.44 177.70 1t17 h ASP 120 N 0.00 -0.28 0.76 -0.43 1.82 -0.08 0.98 116.42 119.19 1t17 h ASP 120 Ca 0.00 0.04 -0.23 0.00 -0.39 0.00 0.00 57.03 56.45 1t17 h ASP 120 Cb 0.02 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1t17 h ASP 120 CO -0.00 -0.14 -1.06 0.00 -1.61 0.00 0.00 179.24 176.42 1t17 h ALA 121 N 0.78 0.29 -0.06 -0.78 0.00 -1.22 -0.07 119.26 118.20 1t17 h ALA 121 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1t17 h ALA 121 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t17 h ALA 121 CO -0.08 1.06 0.03 1.98 0.00 0.00 0.00 179.25 182.24 1t17 h MET 122 N 0.05 0.08 -0.00 0.00 4.05 0.22 0.71 114.93 120.03 1t17 h MET 122 Ca -0.07 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 1t17 h MET 122 Cb 1.78 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.58 1t17 h MET 122 CO 0.16 0.16 -0.43 -0.07 0.23 0.00 0.00 176.91 176.95 1t17 h LEU 123 N -0.01 0.39 -1.52 3.39 3.38 0.92 -2.94 115.31 118.91 1t17 h LEU 123 Ca 0.02 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1t17 h LEU 123 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1t17 h LEU 123 CO -0.00 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.63 1t17 h ALA 124 N 0.30 1.00 0.07 1.53 0.00 -0.98 0.15 119.26 121.33 1t17 h ALA 124 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1t17 h ALA 124 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1t17 h ALA 124 CO 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.30 1t17 h ALA 125 N 2.07 -0.10 0.00 0.00 0.00 0.59 -3.25 119.26 118.56 1t17 h ALA 125 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1t17 h ALA 125 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1t17 h ALA 125 CO 0.00 -0.16 -0.25 -2.95 0.00 0.00 0.00 179.25 175.89 1t17 h ASN 126 N -0.89 0.00 -0.99 0.00 7.08 -1.25 -2.72 115.58 116.82 1t17 h ASN 126 Ca -0.01 0.00 0.34 0.00 -3.08 0.00 0.00 56.30 53.55 1t17 h ASN 126 Cb 0.60 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.68 1t17 h ASN 126 CO 0.02 0.25 0.49 1.62 -2.08 0.00 0.00 177.43 177.72 1t17 h VAL 127 N 0.00 0.20 -0.36 6.14 3.04 -1.02 1.48 116.25 125.73 1t17 h VAL 127 Ca -0.00 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.60 1t17 h VAL 127 Cb 0.52 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 1t17 h VAL 127 CO 0.03 0.04 0.15 -0.78 -1.01 0.00 0.00 177.57 176.00 1t17 h ASP 128 N 0.20 0.50 -0.10 3.17 1.82 -1.61 0.83 116.42 121.22 1t17 h ASP 128 Ca 0.74 -0.16 0.01 0.00 -0.39 0.00 0.00 57.03 57.23 1t17 h ASP 128 Cb 1.74 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.61 1t17 h ASP 128 CO -0.68 0.52 0.01 0.03 -1.61 0.00 0.00 179.24 177.52 1t17 h ARG 129 N 0.44 0.05 -0.95 0.28 2.47 0.18 0.49 114.38 117.34 1t17 h ARG 129 Ca 0.12 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.86 1t17 h ARG 129 Cb 0.18 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 1t17 h ARG 129 CO -0.01 0.04 0.62 0.00 0.56 0.00 0.00 179.97 181.18 1t17 h ALA 130 N 1.07 1.37 0.00 0.04 0.00 -0.48 0.19 119.26 121.46 1t17 h ALA 130 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1t17 h ALA 130 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1t17 h ALA 130 CO -0.06 0.56 -0.43 0.00 0.00 0.00 0.00 179.25 179.31 1t17 h ALA 131 N 1.43 1.20 -0.05 0.00 0.00 -0.05 -0.18 119.26 121.61 1t17 h ALA 131 Ca 0.37 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1t17 h ALA 131 Cb -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1t17 h ALA 131 CO -0.10 0.54 -0.15 0.78 0.00 0.00 0.00 179.25 180.32 1t17 h GLY 132 N 1.45 0.21 1.65 0.00 0.00 0.22 -0.65 103.07 105.95 1t17 h GLY 132 Ca -0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1t17 h GLY 132 CO 0.06 0.24 -0.21 0.07 0.00 0.00 0.00 176.54 176.70 1t17 h LYS 133 N -0.33 0.41 -0.42 4.80 5.09 -0.64 -1.13 116.57 124.35 1t17 h LYS 133 Ca -0.00 -0.14 -0.12 0.00 0.09 0.00 0.00 60.65 60.48 1t17 h LYS 133 Cb 0.77 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.05 1t17 h LYS 133 CO 0.03 0.60 -0.20 1.25 -2.09 0.00 0.00 179.45 179.04 1t17 h LEU 134 N 0.37 0.91 -0.65 7.07 6.46 -1.01 0.25 115.31 128.72 1t17 h LEU 134 Ca 0.06 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.39 1t17 h LEU 134 Cb 0.58 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1t17 h LEU 134 CO 0.04 1.11 0.29 0.40 -0.62 0.00 0.00 178.44 179.66 1t17 h ILE 135 N 0.71 1.23 -0.26 4.05 2.04 -0.68 -0.04 117.51 124.56 1t17 h ILE 135 Ca 0.09 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1t17 h ILE 135 Cb 0.77 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1t17 h ILE 135 CO 0.06 0.27 -0.21 0.00 0.00 0.00 0.00 178.15 178.27 1t17 h ALA 136 N 1.13 1.16 0.12 1.87 0.00 -1.03 -0.24 119.26 122.27 1t17 h ALA 136 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1t17 h ALA 136 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1t17 h ALA 136 CO -0.02 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 1t17 h PHE 138 N -0.32 1.14 -0.05 0.00 3.57 -0.80 0.60 116.94 121.09 1t17 h PHE 138 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1t17 h PHE 138 Cb 0.26 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1t17 h PHE 138 CO -0.02 0.73 0.01 1.49 -2.23 0.00 0.00 178.31 178.29 1t17 h GLU 139 N 1.23 0.08 -0.73 1.11 4.81 -0.75 1.00 114.58 121.33 1t17 h GLU 139 Ca 0.33 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1t17 h GLU 139 Cb -0.13 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1t17 h GLU 139 CO -0.07 0.28 0.47 0.00 -0.73 0.00 0.00 179.01 178.96 1t17 h ALA 140 N 0.80 0.95 -0.48 2.92 0.00 -0.22 -0.41 119.26 122.82 1t17 h ALA 140 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1t17 h ALA 140 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1t17 h ALA 140 CO 0.00 0.27 0.10 0.00 0.00 0.00 0.00 179.25 179.62 1t17 h ARG 141 N 0.92 0.74 -0.55 0.00 2.47 -0.68 0.46 114.38 117.74 1t17 h ARG 141 Ca 0.29 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 1t17 h ARG 141 Cb -0.01 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 1t17 h ARG 141 CO -0.10 0.68 0.16 0.00 0.56 0.00 0.00 179.97 181.28 1t17 h ALA 142 N 1.40 0.72 -0.03 0.04 0.00 0.43 0.17 119.26 121.99 1t17 h ALA 142 Ca 0.16 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1t17 h ALA 142 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t17 h ALA 142 CO 0.00 0.39 -0.73 0.37 0.00 0.00 0.00 179.25 179.28 1t17 h GLN 143 N 0.77 0.21 -0.22 0.00 4.15 -0.58 -0.96 115.11 118.47 1t17 h GLN 143 Ca 0.18 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 1t17 h GLN 143 Cb 0.29 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1t17 h GLN 143 CO -0.00 0.85 -0.38 0.37 -1.93 0.00 0.00 178.83 177.74 1t17 h GLN 144 N 0.14 0.50 0.12 1.69 4.15 0.30 1.03 115.11 123.04 1t17 h GLN 144 Ca -0.02 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 1t17 h GLN 144 Cb 1.29 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1t17 h GLN 144 CO 0.11 0.80 -0.06 1.25 -1.93 0.00 0.00 178.83 179.01 1t17 h LEU 145 N 0.42 -0.13 -1.45 -2.39 6.46 -0.57 -3.02 115.31 114.62 1t17 h LEU 145 Ca 0.04 -0.39 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1t17 h LEU 145 Cb 0.85 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1t17 h LEU 145 CO 0.07 0.48 -0.18 0.45 -0.62 0.00 0.00 178.44 178.64 1t17 h HIS 146 N -0.91 0.14 0.27 1.25 3.86 -1.20 -2.97 115.15 115.59 1t17 h HIS 146 Ca -0.02 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1t17 h HIS 146 Cb 0.52 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1t17 h HIS 146 CO 0.10 0.32 -0.36 0.78 0.86 0.00 0.00 177.93 179.62 1t17 h GLY 147 N 0.73 -0.80 0.57 2.45 0.00 0.11 -3.50 103.07 102.62 1t17 h GLY 147 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1t17 h GLY 147 CO 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.28