#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 2.66 0.03 1.12 4.02 -1.16 -4.96 115.29 116.99 1t17 s HIS 2 Ca 0.00 0.85 0.02 0.00 1.02 0.00 0.00 55.06 56.96 1t17 s HIS 2 Cb 0.00 -3.67 -0.02 0.00 -1.02 0.00 0.00 32.58 27.88 1t17 s HIS 2 CO 0.00 -2.04 -0.08 0.50 1.02 0.00 0.00 174.74 174.14 1t17 s ARG 3 N 3.78 0.56 -0.01 1.40 3.00 -1.26 -2.23 118.95 124.20 1t17 s ARG 3 Ca 0.58 -0.60 0.01 0.00 -1.00 0.00 0.00 55.73 54.72 1t17 s ARG 3 Cb -0.22 -0.43 0.01 0.00 0.00 0.00 0.00 34.95 34.31 1t17 s ARG 3 CO 0.19 0.10 -0.01 -1.01 0.00 0.00 0.00 175.30 174.57 1t17 s HIS 4 N -0.93 0.26 0.02 5.12 3.76 -0.64 -5.02 115.29 117.85 1t17 s HIS 4 Ca -0.05 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.89 1t17 s HIS 4 Cb -0.07 -0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 1t17 s HIS 4 CO 0.00 -0.06 -0.12 0.08 -0.85 0.00 0.00 174.74 173.80 1t17 s VAL 5 N 0.42 3.24 -0.04 -0.90 1.01 -1.26 -1.56 120.40 121.32 1t17 s VAL 5 Ca -0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1t17 s VAL 5 Cb -0.07 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1t17 s VAL 5 CO -0.01 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 1t17 s VAL 6 N -0.95 0.03 -0.23 2.92 1.01 -0.16 -4.98 120.40 118.03 1t17 s VAL 6 Ca 0.16 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1t17 s VAL 6 Cb -0.11 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.09 1t17 s VAL 6 CO 0.06 0.19 -0.10 -0.89 0.00 0.00 0.00 175.10 174.36 1t17 s THR 7 N 1.94 1.86 0.30 3.92 2.01 -1.26 0.31 115.64 124.72 1t17 s THR 7 Ca 0.03 -1.33 0.10 0.00 0.31 0.00 0.00 61.69 60.80 1t17 s THR 7 Cb -0.12 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1t17 s THR 7 CO -0.03 0.03 -0.07 -1.59 -0.69 0.00 0.00 174.62 172.27 1t17 s LYS 8 N 1.26 2.00 -0.04 4.92 -2.85 0.15 -4.97 119.74 120.21 1t17 s LYS 8 Ca -0.05 -1.67 0.01 0.00 -1.00 0.00 0.00 55.97 53.26 1t17 s LYS 8 Cb -0.18 -1.93 0.02 0.00 -2.06 0.00 0.00 37.83 33.67 1t17 s LYS 8 CO -0.07 0.26 -0.06 0.54 0.10 0.00 0.00 175.35 176.12 1t17 s VAL 9 N -2.47 0.65 -0.04 1.79 0.11 -1.26 -0.97 120.40 118.21 1t17 s VAL 9 Ca 0.32 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1t17 s VAL 9 Cb -0.03 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1t17 s VAL 9 CO 0.18 0.24 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.40 1t17 s LEU 10 N 0.76 1.23 -1.18 2.54 1.43 -0.94 -4.97 118.68 117.55 1t17 s LEU 10 Ca -0.11 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1t17 s LEU 10 Cb -0.14 -0.38 -0.07 0.00 0.03 0.00 0.00 46.19 45.63 1t17 s LEU 10 CO 0.01 -0.08 2.33 -0.81 0.23 0.00 0.00 176.35 178.03 1t17 n PRO 11 N 4.16 2.55 -4.54 1.29 -0.04 -1.26 -1.71 135.00 135.45 1t17 n PRO 11 Ca -0.24 -1.94 -0.26 0.00 -0.04 0.00 0.00 63.50 61.03 1t17 n PRO 11 Cb 0.51 -2.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.09 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 1.87 0.75 0.54 2.02 -1.26 -4.94 117.35 119.67 1t17 s TYR 12 Ca 0.53 -1.12 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 1t17 s TYR 12 Cb 0.14 -1.28 0.04 0.00 -0.40 0.00 0.00 41.96 40.46 1t17 s TYR 12 CO -0.02 -0.11 1.08 0.95 -1.57 0.00 0.00 175.55 175.88 1t17 s THR 13 N -3.17 3.50 -0.25 -0.71 -4.23 -1.26 -4.39 115.64 105.13 1t17 s THR 13 Ca 0.25 0.49 0.28 0.00 -1.18 0.00 0.00 61.69 61.52 1t17 s THR 13 Cb 0.04 -3.20 0.35 0.00 1.34 0.00 0.00 72.50 71.03 1t17 s THR 13 CO 0.13 -0.64 1.79 1.55 -0.54 0.00 0.00 174.62 176.92 1t17 h PRO 14 N -0.95 0.00 -0.93 3.99 0.13 -1.99 -3.08 132.00 129.18 1t17 h PRO 14 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1t17 h PRO 14 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1t17 h PRO 14 CO 0.57 0.00 0.54 0.22 -0.23 0.00 0.00 178.00 179.11 1t17 h ASP 15 N 0.00 1.14 -0.72 1.44 3.58 -2.02 -0.91 116.42 118.92 1t17 h ASP 15 Ca 0.00 -0.08 0.21 0.00 0.42 0.00 0.00 57.03 57.58 1t17 h ASP 15 Cb 0.71 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1t17 h ASP 15 CO 0.00 0.89 0.53 1.56 -2.88 0.00 0.00 179.24 179.34 1t17 h GLN 16 N 1.30 0.00 -0.63 0.28 1.08 -1.93 0.38 115.11 115.59 1t17 h GLN 16 Ca 0.33 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.48 1t17 h GLN 16 Cb -0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1t17 h GLN 16 CO -0.06 0.00 0.20 -0.07 -0.95 0.00 0.00 178.83 177.95 1t17 h LEU 17 N 0.00 0.91 -1.20 1.46 3.38 -1.34 -2.43 115.31 116.10 1t17 h LEU 17 Ca 0.34 -0.20 0.33 0.00 0.09 0.00 0.00 57.88 58.43 1t17 h LEU 17 Cb 1.41 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 1t17 h LEU 17 CO -0.00 0.87 0.67 0.15 0.09 0.00 0.00 178.44 180.22 1t17 h PHE 18 N 0.90 0.77 0.00 1.13 3.57 -0.26 1.80 116.94 124.84 1t17 h PHE 18 Ca 0.20 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 1t17 h PHE 18 Cb 0.29 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1t17 h PHE 18 CO 0.02 -0.10 -0.62 0.93 -2.23 0.00 0.00 178.31 176.32 1t17 h GLU 19 N 0.31 0.00 -0.03 1.11 5.08 -1.49 -2.83 114.58 116.72 1t17 h GLU 19 Ca 0.71 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.96 1t17 h GLU 19 Cb 1.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.06 1t17 h GLU 19 CO -0.47 0.62 -0.42 -0.07 -1.00 0.00 0.00 179.01 177.67 1t17 h LEU 20 N 0.00 0.42 -1.94 1.33 -0.00 0.26 1.54 115.31 116.92 1t17 h LEU 20 Ca -0.01 -0.72 -0.02 0.00 -0.00 0.00 0.00 57.88 57.13 1t17 h LEU 20 Cb 1.44 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1t17 h LEU 20 CO 0.08 1.08 -0.09 0.58 -0.00 0.00 0.00 178.44 180.09 1t17 h VAL 21 N -0.20 0.89 -0.27 1.22 2.07 0.38 -1.11 116.25 119.23 1t17 h VAL 21 Ca -0.04 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1t17 h VAL 21 Cb 1.12 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1t17 h VAL 21 CO 0.08 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1t17 n GLY 22 N -1.17 1.98 0.49 2.17 0.00 -1.07 -4.60 105.19 102.99 1t17 n GLY 22 Ca -0.03 -0.38 0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 2.16 0.23 -0.21 1.61 1.82 0.36 2.59 116.42 124.98 1t17 h ASP 23 Ca 0.00 0.09 0.06 0.00 -0.39 0.00 0.00 57.03 56.79 1t17 h ASP 23 Cb 0.68 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 1t17 h ASP 23 CO 0.00 -0.07 0.58 -0.37 -1.61 0.00 0.00 179.24 177.78 1t17 h VAL 24 N 0.14 0.09 0.00 2.25 -1.51 -1.81 -3.01 116.25 112.40 1t17 h VAL 24 Ca 0.74 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.21 1t17 h VAL 24 Cb 2.39 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1t17 h VAL 24 CO -0.28 0.00 -0.13 -0.67 -1.23 0.00 0.00 177.57 175.27 1t17 n ASP 25 N -3.05 0.01 -0.19 4.19 -0.08 0.63 -4.08 116.55 113.98 1t17 n ASP 25 Ca 0.03 0.10 -0.05 0.00 -1.51 0.00 0.00 54.79 53.37 1t17 n ASP 25 Cb 0.68 0.07 -0.05 0.00 2.34 0.00 0.00 41.12 44.16 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 -2.79 -0.29 -0.95 -1.67 0.00 0.72 -4.46 120.51 111.07 1t17 n ALA 26 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 1t17 n ALA 26 Cb 0.06 0.06 0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 -4.12 -2.33 0.00 0.00 4.02 -1.14 -4.96 117.16 108.63 1t17 n TYR 27 Ca 0.01 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 1t17 n TYR 27 Cb 0.12 -1.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.00 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1t17 n PRO 28 N 1.68 0.00 0.00 -0.72 -0.04 -1.26 -5.01 135.00 129.64 1t17 n PRO 28 Ca -0.01 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1t17 n PRO 28 Cb 0.68 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1t17 n PRO 28 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1t17 n LYS 29 N -1.20 0.00 0.00 0.54 4.81 -1.26 -5.06 118.16 115.98 1t17 n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1t17 n LYS 29 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1t17 n PHE 30 N -0.44 0.00 -1.96 5.64 7.35 -1.26 -4.78 117.46 122.01 1t17 n PHE 30 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1t17 n PHE 30 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1t17 n PHE 30 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1t17 n VAL 31 N 0.00 -0.97 0.13 -2.13 0.24 -1.26 -4.79 118.33 109.54 1t17 n VAL 31 Ca 0.00 0.20 -0.01 0.00 -2.04 0.00 0.00 64.34 62.49 1t17 n VAL 31 Cb 0.00 -1.63 0.11 0.00 -1.47 0.00 0.00 33.84 30.85 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 2.88 0.00 0.00 7.34 0.13 -1.97 -2.70 132.00 137.69 1t17 h PRO 32 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1t17 h PRO 32 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1t17 h PRO 32 CO 0.00 0.66 0.00 -2.67 -0.23 0.00 0.00 178.00 175.76 1t17 n TRP 33 N -3.58 0.72 -4.21 1.56 4.27 -1.26 -4.61 117.44 110.32 1t17 n TRP 33 Ca -0.00 0.35 -0.11 0.00 -3.89 0.00 0.00 57.50 53.84 1t17 n TRP 33 Cb 0.69 -1.06 -0.03 0.00 -1.36 0.00 0.00 31.31 29.55 1t17 n TRP 33 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1t17 n ILE 34 N -2.22 0.00 0.00 -1.67 3.06 -1.02 -4.82 119.36 112.69 1t17 n ILE 34 Ca -0.00 -1.14 0.00 0.00 -2.50 0.00 0.00 62.75 59.11 1t17 n ILE 34 Cb 0.09 0.45 0.00 0.00 0.54 0.00 0.00 39.64 40.72 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 -0.40 0.00 -3.59 9.51 5.66 -1.24 -4.69 114.28 119.53 1t17 n THR 35 Ca -0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.67 1t17 n THR 35 Cb 0.29 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.02 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 -0.37 2.26 -0.04 1.09 0.00 -1.26 -4.95 107.32 104.05 1t17 s GLY 36 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 1t17 s GLY 36 CO 0.00 -0.35 0.73 -3.16 0.00 0.00 0.00 173.10 170.33 1t17 s MET 37 N -2.61 1.00 -0.29 2.90 0.00 -1.25 -0.49 119.30 118.56 1t17 s MET 37 Ca 0.42 0.13 -0.21 0.00 0.00 0.00 0.00 55.69 56.03 1t17 s MET 37 Cb -0.12 0.47 0.13 0.00 0.00 0.00 0.00 34.83 35.31 1t17 s MET 37 CO 0.23 -0.33 1.00 0.50 0.00 0.00 0.00 175.02 176.41 1t17 s ARG 38 N -1.56 0.46 -0.11 3.16 6.06 -0.82 -4.99 118.95 121.15 1t17 s ARG 38 Ca -0.07 0.64 -0.02 0.00 -2.50 0.00 0.00 55.73 53.78 1t17 s ARG 38 Cb -0.00 0.17 0.04 0.00 0.06 0.00 0.00 34.95 35.22 1t17 s ARG 38 CO 0.05 -0.07 0.01 0.95 -2.50 0.00 0.00 175.30 173.74 1t17 s THR 39 N 0.73 0.41 -0.07 4.11 -4.23 -1.26 -0.86 115.64 114.47 1t17 s THR 39 Ca -0.02 -0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.11 1t17 s THR 39 Cb -0.04 -0.68 0.10 0.00 1.34 0.00 0.00 72.50 73.21 1t17 s THR 39 CO -0.10 0.11 1.34 -1.66 -0.54 0.00 0.00 174.62 173.77 1t17 s TRP 40 N 1.94 0.01 -0.19 3.99 -2.14 -0.98 -4.96 118.94 116.62 1t17 s TRP 40 Ca 0.03 -0.06 -0.05 0.00 2.66 0.00 0.00 56.10 58.69 1t17 s TRP 40 Cb -0.14 0.52 0.02 0.00 -3.10 0.00 0.00 33.47 30.78 1t17 s TRP 40 CO -0.06 -0.11 0.09 -1.71 -2.66 0.00 0.00 176.95 172.50 1t17 n ASN 41 N -1.03 -3.63 0.00 -2.66 2.85 -1.26 -2.12 115.26 107.41 1t17 n ASN 41 Ca 0.06 1.04 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 1t17 n ASN 41 Cb 0.58 -4.21 0.00 0.00 1.24 0.00 0.00 39.78 37.40 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 0.89 1.36 3.10 8.20 0.00 -1.26 -2.27 105.19 115.21 1t17 n GLY 42 Ca -0.16 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 4.91 0.64 -0.14 1.61 1.70 0.12 -4.98 118.95 122.81 1t17 s ARG 43 Ca 0.00 -1.22 -0.00 0.00 -0.47 0.00 0.00 55.73 54.04 1t17 s ARG 43 Cb 0.00 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1t17 s ARG 43 CO 0.00 -0.09 -0.06 0.54 -1.08 0.00 0.00 175.30 174.61 1t17 s VAL 44 N -3.77 1.06 -0.08 4.99 0.11 -1.26 -0.91 120.40 120.54 1t17 s VAL 44 Ca 0.07 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1t17 s VAL 44 Cb 0.07 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1t17 s VAL 44 CO -0.09 0.24 -0.16 -0.62 -3.33 0.00 0.00 175.10 171.15 1t17 s ASP 45 N 1.68 2.19 0.71 3.54 -1.08 -0.09 -5.01 116.67 118.60 1t17 s ASP 45 Ca 0.03 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 1t17 s ASP 45 Cb -0.14 -1.01 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 1t17 s ASP 45 CO -0.08 0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1t17 n GLY 46 N 3.75 2.93 2.23 2.66 0.00 -1.26 0.43 105.19 115.94 1t17 n GLY 46 Ca -0.22 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1t17 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t17 n ALA 47 N 9.39 5.84 -2.75 4.61 0.00 -1.26 -4.90 120.51 131.44 1t17 n ALA 47 Ca 0.00 -3.04 -0.16 0.00 0.00 0.00 0.00 53.44 50.24 1t17 n ALA 47 Cb 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 19.45 17.75 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 -3.84 0.78 -0.04 0.00 1.01 0.17 -0.62 120.40 117.85 1t17 s VAL 48 Ca 0.58 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1t17 s VAL 48 Cb 0.47 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1t17 s VAL 48 CO 0.05 -0.15 0.03 -0.44 0.00 0.00 0.00 175.10 174.60 1t17 s SER 49 N -1.20 1.02 -0.11 3.32 0.01 -0.22 -0.92 113.70 115.59 1t17 s SER 49 Ca -0.03 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.27 1t17 s SER 49 Cb -0.08 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1t17 s SER 49 CO 0.01 -0.20 -0.20 -0.89 0.41 0.00 0.00 173.24 172.37 1t17 s THR 50 N 1.81 2.44 0.28 1.44 2.01 -0.09 -1.02 115.64 122.52 1t17 s THR 50 Ca 0.01 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 1t17 s THR 50 Cb -0.12 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1t17 s THR 50 CO -0.03 0.55 0.52 0.68 -0.69 0.00 0.00 174.62 175.64 1t17 s VAL 51 N 0.37 0.00 0.14 3.82 -7.23 -0.50 0.13 120.40 117.13 1t17 s VAL 51 Ca -0.15 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 1t17 s VAL 51 Cb -0.17 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 1t17 s VAL 51 CO 0.07 0.00 0.92 -1.81 -0.31 0.00 0.00 175.10 173.97 1t17 s ASP 52 N -3.07 7.49 -0.28 4.85 1.01 -0.90 0.33 116.67 126.11 1t17 s ASP 52 Ca 0.23 1.78 0.02 0.00 0.71 0.00 0.00 52.55 55.30 1t17 s ASP 52 Cb -0.01 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.41 1t17 s ASP 52 CO 0.12 0.02 -0.06 0.00 0.21 0.00 0.00 175.17 175.45 1t17 s ALA 53 N -0.37 2.67 -0.49 5.23 0.00 0.52 -2.31 121.76 127.01 1t17 s ALA 53 Ca 0.44 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 1t17 s ALA 53 Cb -0.24 -1.72 0.11 0.00 0.00 0.00 0.00 23.12 21.28 1t17 s ALA 53 CO 0.29 -1.29 0.39 -2.00 0.00 0.00 0.00 175.76 173.15 1t17 s GLU 54 N 1.10 2.74 0.22 0.00 2.12 -0.04 -0.36 118.70 124.48 1t17 s GLU 54 Ca -0.05 -1.65 0.06 0.00 0.36 0.00 0.00 54.97 53.69 1t17 s GLU 54 Cb -0.20 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 1t17 s GLU 54 CO -0.05 -1.18 0.21 0.00 -0.54 0.00 0.00 175.26 173.70 1t17 s ALA 55 N 1.49 3.66 0.20 6.30 0.00 -0.47 -1.95 121.76 131.00 1t17 s ALA 55 Ca 0.04 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1t17 s ALA 55 Cb -0.27 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1t17 s ALA 55 CO 0.02 0.33 0.04 -0.65 0.00 0.00 0.00 175.76 175.50 1t17 s GLN 56 N -3.65 1.22 -0.10 0.00 -0.21 0.36 -1.52 119.66 115.76 1t17 s GLN 56 Ca 0.33 -1.62 0.02 0.00 0.02 0.00 0.00 55.36 54.10 1t17 s GLN 56 Cb -0.09 -0.25 0.02 0.00 1.00 0.00 0.00 33.01 33.69 1t17 s GLN 56 CO 0.25 -0.20 -0.14 0.14 -2.12 0.00 0.00 175.29 173.23 1t17 s VAL 57 N -3.71 1.35 -0.04 1.09 -7.23 -1.22 -3.63 120.40 107.01 1t17 s VAL 57 Ca 0.29 -0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.83 1t17 s VAL 57 Cb 0.07 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1t17 s VAL 57 CO 0.08 0.41 -0.16 0.61 -0.31 0.00 0.00 175.10 175.73 1t17 n GLY 58 N 4.18 -0.26 1.60 2.32 0.00 -1.26 -4.16 105.19 107.62 1t17 n GLY 58 Ca -0.19 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.90 1.30 0.05 1.61 7.35 -1.26 -3.75 117.46 118.86 1t17 n PHE 59 Ca -0.09 -1.28 0.08 0.00 -0.76 0.00 0.00 57.45 55.40 1t17 n PHE 59 Cb 0.29 -0.64 0.16 0.00 0.35 0.00 0.00 39.48 39.64 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 2.93 -0.34 -2.13 7.64 -1.26 -4.94 113.62 115.53 1t17 n SER 60 Ca 0.25 -1.88 -0.04 0.00 1.01 0.00 0.00 58.87 58.21 1t17 n SER 60 Cb 0.87 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.87 0.00 -3.48 1.43 7.35 -1.25 -4.87 117.46 117.51 1t17 n PHE 61 Ca 0.13 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.55 1t17 n PHE 61 Cb 0.45 -2.31 -0.13 0.00 0.35 0.00 0.00 39.48 37.84 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 -1.00 0.65 -0.88 -2.13 0.20 -1.26 -5.07 118.68 109.18 1t17 s LEU 62 Ca 0.00 -1.70 -0.25 0.00 0.69 0.00 0.00 54.13 52.87 1t17 s LEU 62 Cb 0.00 -0.25 -0.02 0.00 -0.43 0.00 0.00 46.19 45.50 1t17 s LEU 62 CO 0.00 -0.36 1.78 -0.60 -0.29 0.00 0.00 176.35 176.88 1t17 s ARG 63 N 1.58 2.84 -0.08 1.98 3.00 -1.26 -4.66 118.95 122.35 1t17 s ARG 63 Ca 0.14 -0.35 -0.07 0.00 -1.00 0.00 0.00 55.73 54.45 1t17 s ARG 63 Cb -0.19 -4.98 0.02 0.00 0.00 0.00 0.00 34.95 29.80 1t17 s ARG 63 CO -0.16 -2.94 0.21 -1.21 0.00 0.00 0.00 175.30 171.20 1t17 s GLU 64 N 6.47 0.23 0.17 5.12 2.02 -1.26 -5.06 118.70 126.39 1t17 s GLU 64 Ca 0.62 0.31 -0.03 0.00 0.02 0.00 0.00 54.97 55.89 1t17 s GLU 64 Cb -0.06 0.08 -0.05 0.00 0.10 0.00 0.00 34.13 34.20 1t17 s GLU 64 CO 0.01 -0.05 0.39 0.15 0.02 0.00 0.00 175.26 175.79 1t17 s LYS 65 N 0.26 3.59 0.03 1.61 1.02 -1.26 -3.40 119.74 121.58 1t17 s LYS 65 Ca -0.01 -0.16 -0.06 0.00 0.02 0.00 0.00 55.97 55.76 1t17 s LYS 65 Cb -0.03 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1t17 s LYS 65 CO -0.01 0.43 0.10 -0.06 -0.92 0.00 0.00 175.35 174.89 1t17 s PHE 66 N -1.76 0.17 -0.00 3.18 0.08 -0.57 -4.93 117.98 114.15 1t17 s PHE 66 Ca 0.40 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1t17 s PHE 66 Cb -0.12 -0.12 -0.00 0.00 -0.57 0.00 0.00 43.02 42.21 1t17 s PHE 66 CO 0.26 -0.34 -0.02 0.00 -0.10 0.00 0.00 175.22 175.03 1t17 s ALA 67 N -2.26 0.16 0.21 5.36 0.00 -1.26 -1.37 121.76 122.60 1t17 s ALA 67 Ca -0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1t17 s ALA 67 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1t17 s ALA 67 CO -0.03 0.03 0.42 0.95 0.00 0.00 0.00 175.76 177.13 1t17 s THR 68 N -0.09 0.03 -0.38 0.00 -4.23 0.52 -0.72 115.64 110.77 1t17 s THR 68 Ca 0.00 -1.25 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 1t17 s THR 68 Cb -0.01 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.91 1t17 s THR 68 CO -0.00 -0.13 0.68 0.00 -0.54 0.00 0.00 174.62 174.63 1t17 s ARG 69 N -3.97 3.59 0.08 3.99 1.70 0.02 0.20 118.95 124.56 1t17 s ARG 69 Ca 0.17 0.00 -0.16 0.00 -0.47 0.00 0.00 55.73 55.28 1t17 s ARG 69 Cb 0.01 -3.85 -0.06 0.00 -0.57 0.00 0.00 34.95 30.47 1t17 s ARG 69 CO 0.03 -0.84 0.52 0.54 -1.08 0.00 0.00 175.30 174.46 1t17 s VAL 70 N 2.85 4.86 -0.16 4.99 0.11 0.15 -1.55 120.40 131.66 1t17 s VAL 70 Ca 0.26 0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 60.24 1t17 s VAL 70 Cb -0.14 -3.79 0.05 0.00 -1.53 0.00 0.00 36.38 30.98 1t17 s VAL 70 CO 0.17 0.44 0.04 -0.13 -3.33 0.00 0.00 175.10 172.29 1t17 s ARG 71 N -1.43 0.51 0.14 1.54 0.52 0.46 -1.40 118.95 119.28 1t17 s ARG 71 Ca 0.31 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1t17 s ARG 71 Cb -0.17 -1.76 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 1t17 s ARG 71 CO 0.18 -0.56 0.02 -0.98 0.02 0.00 0.00 175.30 173.97 1t17 s ARG 72 N 1.95 2.51 -0.03 3.54 1.70 -0.19 0.28 118.95 128.72 1t17 s ARG 72 Ca 0.01 -0.98 0.01 0.00 -0.47 0.00 0.00 55.73 54.30 1t17 s ARG 72 Cb -0.16 -2.46 0.02 0.00 -0.57 0.00 0.00 34.95 31.78 1t17 s ARG 72 CO -0.07 0.49 -0.03 0.34 -1.08 0.00 0.00 175.30 174.95 1t17 s ASP 73 N -2.72 0.64 0.03 -2.89 3.68 -0.57 -1.05 116.67 113.78 1t17 s ASP 73 Ca 0.27 -0.08 0.23 0.00 2.13 0.00 0.00 52.55 55.10 1t17 s ASP 73 Cb -0.10 -0.28 0.06 0.00 -1.45 0.00 0.00 42.92 41.15 1t17 s ASP 73 CO 0.19 -0.05 1.04 2.29 0.13 0.00 0.00 175.17 178.77 1t17 n LYS 74 N 3.86 0.22 -0.02 4.34 2.85 0.20 -1.12 118.16 128.50 1t17 n LYS 74 Ca -0.24 -0.01 0.06 0.00 -1.05 0.00 0.00 58.31 57.07 1t17 n LYS 74 Cb 0.52 -1.57 -0.15 0.00 -0.65 0.00 0.00 35.03 33.19 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 -1.85 0.14 -0.02 -5.58 8.00 -1.24 -4.28 116.55 111.72 1t17 n ASP 75 Ca 0.02 0.06 0.05 0.00 0.71 0.00 0.00 54.79 55.63 1t17 n ASP 75 Cb 0.41 1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 42.88 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 -2.37 2.40 -3.05 2.24 0.00 -1.25 -4.99 120.51 113.48 1t17 n ALA 76 Ca -0.10 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 1t17 n ALA 76 Cb 0.72 -0.48 0.04 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 -2.21 -5.12 -4.28 0.00 1.74 -0.27 -4.95 116.66 101.56 1t17 n ARG 77 Ca -0.08 0.91 -0.15 0.00 -0.77 0.00 0.00 57.85 57.76 1t17 n ARG 77 Cb 0.58 -5.78 -0.10 0.00 -1.02 0.00 0.00 32.46 26.14 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 -2.75 1.54 0.10 0.55 1.04 -1.19 -4.14 113.70 108.86 1t17 s SER 78 Ca 0.32 -1.17 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1t17 s SER 78 Cb -0.14 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1t17 s SER 78 CO 0.40 -0.51 -0.14 -0.63 0.98 0.00 0.00 173.24 173.33 1t17 s ILE 79 N -3.51 1.27 -0.10 -1.02 -1.09 -0.97 -1.52 121.20 114.26 1t17 s ILE 79 Ca 0.25 -1.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.02 1t17 s ILE 79 Cb 0.05 -1.38 0.03 0.00 -1.58 0.00 0.00 42.46 39.59 1t17 s ILE 79 CO 0.05 -0.33 0.24 -0.62 -1.23 0.00 0.00 174.94 173.05 1t17 s ASP 80 N -2.18 -0.26 -0.07 3.58 2.15 0.14 -1.41 116.67 118.63 1t17 s ASP 80 Ca 0.05 0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.53 1t17 s ASP 80 Cb -0.07 0.46 0.02 0.00 -0.30 0.00 0.00 42.92 43.03 1t17 s ASP 80 CO 0.03 -0.11 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.18 1t17 s VAL 81 N 0.56 0.63 0.13 1.11 1.01 0.34 0.17 120.40 124.36 1t17 s VAL 81 Ca -0.04 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.94 1t17 s VAL 81 Cb -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1t17 s VAL 81 CO -0.03 0.28 -0.22 -0.44 0.00 0.00 0.00 175.10 174.69 1t17 s SER 82 N 1.37 3.64 0.27 3.32 0.01 -0.60 -1.22 113.70 120.49 1t17 s SER 82 Ca -0.03 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 1t17 s SER 82 Cb -0.13 -0.40 -0.11 0.00 0.21 0.00 0.00 66.02 65.59 1t17 s SER 82 CO -0.03 0.17 1.54 -0.22 0.41 0.00 0.00 173.24 175.11 1t17 s LEU 83 N -2.18 4.36 0.13 2.44 2.96 -1.18 -0.80 118.68 124.41 1t17 s LEU 83 Ca 0.17 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.90 1t17 s LEU 83 Cb -0.10 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1t17 s LEU 83 CO 0.09 -0.83 0.00 -0.11 -1.32 0.00 0.00 176.35 174.18 1t17 n LEU 84 N 2.38 0.63 0.00 -0.68 7.94 -1.23 -4.76 117.00 121.27 1t17 n LEU 84 Ca 0.08 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1t17 n LEU 84 Cb 0.38 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1t17 n LEU 84 CO 0.62 -0.66 0.06 0.00 -1.11 0.00 0.00 177.39 176.30 1t17 n TYR 85 N -3.39 0.00 0.00 1.96 9.36 -1.07 -4.93 117.16 119.09 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 0.06 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.01 -1.77 0.19 2.98 0.00 0.10 -4.63 105.19 102.07 1t17 n GLY 86 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1t17 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t17 h PRO 87 N 0.00 0.59 -2.90 1.61 0.13 -1.92 -3.45 132.00 126.06 1t17 h PRO 87 Ca 0.00 -0.57 -0.15 0.00 -0.87 0.00 0.00 66.00 64.41 1t17 h PRO 87 Cb 0.00 0.15 0.05 0.00 0.13 0.00 0.00 31.00 31.33 1t17 h PRO 87 CO 0.00 1.19 -0.26 0.34 -0.23 0.00 0.00 178.00 179.04 1t17 n PHE 88 N -3.84 -1.08 0.00 1.56 7.35 -1.26 -4.90 117.46 115.29 1t17 n PHE 88 Ca -0.08 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1t17 n PHE 88 Cb 0.81 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 38.04 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 -2.22 0.00 0.00 -4.13 0.00 -1.26 -5.12 118.16 105.44 1t17 n LYS 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1t17 n LYS 89 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 35.46 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 -2.39 0.00 -3.65 1.64 0.63 -1.26 -5.04 116.66 106.59 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 0.03 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.88 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 -0.13 -0.10 6.15 0.20 -1.26 -0.66 118.68 122.88 1t17 s LEU 91 Ca 0.00 0.21 -0.10 0.00 0.69 0.00 0.00 54.13 54.93 1t17 s LEU 91 Cb 0.00 1.19 0.03 0.00 -0.43 0.00 0.00 46.19 46.98 1t17 s LEU 91 CO 0.00 -0.03 0.28 0.20 -0.29 0.00 0.00 176.35 176.51 1t17 s ASN 92 N 0.96 -0.29 -0.07 3.68 0.01 -0.47 -3.11 114.94 115.65 1t17 s ASN 92 Ca -0.06 0.55 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1t17 s ASN 92 Cb -0.03 0.56 0.02 0.00 0.41 0.00 0.00 41.25 42.22 1t17 s ASN 92 CO -0.11 -0.11 -0.07 0.21 -1.51 0.00 0.00 177.10 175.52 1t17 s ASN 93 N 0.11 1.60 0.01 -1.22 2.47 -0.36 0.50 114.94 118.05 1t17 s ASN 93 Ca -0.00 -0.21 0.03 0.00 0.42 0.00 0.00 52.86 53.09 1t17 s ASN 93 Cb -0.02 -0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 39.11 1t17 s ASN 93 CO 0.00 -0.07 -0.10 -0.83 -3.72 0.00 0.00 177.10 172.39 1t17 s GLY 94 N 1.24 0.52 0.07 1.21 0.00 -0.51 0.13 107.32 109.98 1t17 s GLY 94 Ca -0.05 -0.54 0.07 0.00 0.00 0.00 0.00 44.72 44.20 1t17 s GLY 94 CO -0.02 -0.51 -0.14 -0.98 0.00 0.00 0.00 173.10 171.45 1t17 s TRP 95 N -0.55 2.64 0.00 1.90 0.52 -0.50 -1.63 118.94 121.33 1t17 s TRP 95 Ca 0.01 -0.20 -0.02 0.00 0.02 0.00 0.00 56.10 55.91 1t17 s TRP 95 Cb -0.05 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 1t17 s TRP 95 CO 0.00 0.35 0.02 1.03 0.02 0.00 0.00 176.95 178.37 1t17 s ARG 96 N -1.83 0.20 -0.24 4.98 1.81 0.14 -2.30 118.95 121.70 1t17 s ARG 96 Ca 0.18 -0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 53.89 1t17 s ARG 96 Cb -0.11 0.08 0.13 0.00 -0.45 0.00 0.00 34.95 34.60 1t17 s ARG 96 CO 0.09 -0.04 0.40 -0.06 -0.68 0.00 0.00 175.30 175.02 1t17 s PHE 97 N -0.74 -0.90 -0.05 -0.53 0.08 -1.26 -0.22 117.98 114.37 1t17 s PHE 97 Ca -0.08 1.00 0.02 0.00 0.12 0.00 0.00 56.93 57.99 1t17 s PHE 97 Cb -0.05 0.11 0.01 0.00 -0.57 0.00 0.00 43.02 42.52 1t17 s PHE 97 CO -0.00 -0.71 -0.10 -1.64 -0.10 0.00 0.00 175.22 172.67 1t17 s MET 98 N 2.58 1.27 0.49 0.44 -1.94 0.39 -4.91 119.30 117.62 1t17 s MET 98 Ca 0.12 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.57 1t17 s MET 98 Cb -0.15 -1.12 -0.08 0.00 2.01 0.00 0.00 34.83 35.48 1t17 s MET 98 CO -0.16 0.05 1.04 -1.25 -0.01 0.00 0.00 175.02 174.69 1t17 s PRO 99 N 0.51 3.80 -0.42 2.03 0.04 -1.26 0.12 135.00 139.81 1t17 s PRO 99 Ca -0.09 1.36 0.08 0.00 0.04 0.00 0.00 61.00 62.38 1t17 s PRO 99 Cb -0.13 -2.09 0.29 0.00 0.04 0.00 0.00 34.50 32.61 1t17 s PRO 99 CO 0.02 -0.43 0.78 0.39 0.04 0.00 0.00 177.00 177.80 1t17 n GLU 100 N -0.98 0.86 0.00 4.56 1.02 -0.63 -4.77 120.64 120.70 1t17 n GLU 100 Ca 0.09 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 1t17 n GLU 100 Cb 0.53 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.96 0.91 0.18 0.62 0.00 -1.26 -4.24 105.19 102.36 1t17 n GLY 101 Ca 0.16 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.69 1t17 n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t17 h ASP 102 N 0.00 0.00 -2.28 1.61 2.03 -1.99 -3.44 116.42 112.35 1t17 h ASP 102 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 1t17 h ASP 102 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1t17 h ASP 102 CO 0.00 0.32 -0.54 0.00 -1.03 0.00 0.00 179.24 177.99 1t17 s ALA 103 N -3.27 3.57 0.06 4.15 0.00 -1.26 -4.41 121.76 120.60 1t17 s ALA 103 Ca 0.03 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1t17 s ALA 103 Cb 0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1t17 s ALA 103 CO 0.69 0.29 -0.04 -0.08 0.00 0.00 0.00 175.76 176.62 1t17 s THR 104 N -2.08 3.80 -0.18 0.00 -1.32 -0.69 -1.61 115.64 113.55 1t17 s THR 104 Ca 0.32 -0.94 -0.06 0.00 -1.21 0.00 0.00 61.69 59.81 1t17 s THR 104 Cb -0.08 -2.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.13 1t17 s THR 104 CO 0.25 0.23 0.02 -0.60 -2.21 0.00 0.00 174.62 172.30 1t17 s ARG 105 N -1.95 3.77 -0.06 7.08 3.52 0.33 -2.21 118.95 129.44 1t17 s ARG 105 Ca 0.22 -0.45 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1t17 s ARG 105 Cb -0.11 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1t17 s ARG 105 CO 0.13 0.17 -0.22 0.08 -0.81 0.00 0.00 175.30 174.65 1t17 s VAL 106 N 0.61 1.80 -0.05 7.11 1.01 -0.14 0.15 120.40 130.89 1t17 s VAL 106 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1t17 s VAL 106 Cb -0.14 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1t17 s VAL 106 CO 0.02 0.51 -0.12 -1.61 0.00 0.00 0.00 175.10 173.90 1t17 s GLU 107 N 0.01 1.44 -0.16 2.72 2.02 0.69 -0.68 118.70 124.75 1t17 s GLU 107 Ca -0.06 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1t17 s GLU 107 Cb -0.14 -1.25 0.02 0.00 0.10 0.00 0.00 34.13 32.87 1t17 s GLU 107 CO 0.04 0.09 -0.15 0.12 0.02 0.00 0.00 175.26 175.38 1t17 s PHE 108 N 0.41 2.28 -0.27 1.61 5.36 0.15 0.23 117.98 127.75 1t17 s PHE 108 Ca -0.09 -1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 54.53 1t17 s PHE 108 Cb -0.13 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.92 1t17 s PHE 108 CO 0.02 -0.70 0.01 0.14 -1.46 0.00 0.00 175.22 173.24 1t17 s VAL 109 N 1.45 3.43 -0.09 3.12 -7.23 -0.64 -0.99 120.40 119.44 1t17 s VAL 109 Ca 0.05 -0.86 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1t17 s VAL 109 Cb -0.13 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1t17 s VAL 109 CO -0.11 0.13 -0.07 0.27 -0.31 0.00 0.00 175.10 175.02 1t17 s ILE 110 N 1.41 3.67 -0.00 -0.62 -0.00 -0.60 -1.43 121.20 123.63 1t17 s ILE 110 Ca 0.01 -0.47 0.02 0.00 -0.00 0.00 0.00 60.65 60.21 1t17 s ILE 110 Cb -0.17 -2.53 -0.01 0.00 -0.00 0.00 0.00 42.46 39.76 1t17 s ILE 110 CO -0.01 0.57 -0.06 -1.61 -0.00 0.00 0.00 174.94 173.83 1t17 s GLU 111 N -0.41 0.47 0.01 0.37 2.02 0.18 -1.62 118.70 119.72 1t17 s GLU 111 Ca 0.06 -0.23 -0.28 0.00 0.02 0.00 0.00 54.97 54.54 1t17 s GLU 111 Cb -0.12 -0.44 0.09 0.00 0.10 0.00 0.00 34.13 33.76 1t17 s GLU 111 CO 0.02 0.12 0.81 -0.59 0.02 0.00 0.00 175.26 175.64 1t17 s PHE 112 N -0.19 -0.43 -0.19 1.61 -0.12 -0.95 -1.37 117.98 116.35 1t17 s PHE 112 Ca 0.02 0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 57.28 1t17 s PHE 112 Cb -0.03 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1t17 s PHE 112 CO -0.00 -0.60 -0.15 0.00 -0.05 0.00 0.00 175.22 174.42 1t17 s ALA 113 N -2.82 2.48 0.31 1.99 0.00 0.16 -2.99 121.76 120.88 1t17 s ALA 113 Ca 0.01 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1t17 s ALA 113 Cb -0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1t17 s ALA 113 CO -0.07 -0.35 0.47 -0.06 0.00 0.00 0.00 175.76 175.75 1t17 s PHE 114 N 1.32 3.39 -0.17 0.00 0.08 -1.26 -4.89 117.98 116.45 1t17 s PHE 114 Ca 0.05 0.09 -0.17 0.00 0.12 0.00 0.00 56.93 57.02 1t17 s PHE 114 Cb -0.14 -1.81 -0.14 0.00 -0.57 0.00 0.00 43.02 40.37 1t17 s PHE 114 CO -0.09 0.19 0.18 0.87 -0.10 0.00 0.00 175.22 176.27 1t17 h LYS 115 N 0.92 0.00 -6.20 0.44 6.56 -1.99 -3.45 116.57 112.84 1t17 h LYS 115 Ca -0.50 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.53 1t17 h LYS 115 Cb 1.23 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.85 1t17 h LYS 115 CO 0.59 0.61 0.69 -1.12 -2.06 0.00 0.00 179.45 178.16 1t17 s SER 116 N -6.29 7.15 0.34 0.86 0.01 -1.26 -4.91 113.70 109.60 1t17 s SER 116 Ca -0.20 1.54 0.06 0.00 1.31 0.00 0.00 55.95 58.66 1t17 s SER 116 Cb 0.03 -2.55 0.61 0.00 0.21 0.00 0.00 66.02 64.32 1t17 s SER 116 CO 0.44 -0.56 1.84 0.00 0.41 0.00 0.00 173.24 175.37 1t17 h ALA 117 N 7.35 1.34 0.09 1.44 0.00 -1.99 0.37 119.26 127.87 1t17 h ALA 117 Ca -0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1t17 h ALA 117 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1t17 h ALA 117 CO 0.91 0.45 -0.04 -0.07 0.00 0.00 0.00 179.25 180.49 1t17 h LEU 118 N 0.36 -0.10 -1.79 0.00 -0.00 -2.00 -2.88 115.31 108.90 1t17 h LEU 118 Ca 0.07 -0.37 -0.03 0.00 -0.00 0.00 0.00 57.88 57.55 1t17 h LEU 118 Cb 0.46 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1t17 h LEU 118 CO 0.03 0.33 -0.16 -0.07 -0.00 0.00 0.00 178.44 178.57 1t17 h LEU 119 N -0.57 0.00 -0.08 1.67 3.38 -1.91 0.31 115.31 118.10 1t17 h LEU 119 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1t17 h LEU 119 Cb 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1t17 h LEU 119 CO 0.02 0.16 -0.12 -0.78 0.09 0.00 0.00 178.44 177.81 1t17 h ASP 120 N 0.00 -0.37 0.14 -0.43 1.82 -0.04 1.49 116.42 119.03 1t17 h ASP 120 Ca -0.00 0.07 -0.25 0.00 -0.39 0.00 0.00 57.03 56.46 1t17 h ASP 120 Cb 0.35 0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.55 1t17 h ASP 120 CO 0.02 -0.16 -0.99 0.00 -1.61 0.00 0.00 179.24 176.50 1t17 h ALA 121 N 0.87 0.24 -0.25 -0.78 0.00 -1.30 0.14 119.26 118.18 1t17 h ALA 121 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 54.91 54.29 1t17 h ALA 121 Cb 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1t17 h ALA 121 CO -0.18 0.74 0.15 1.98 0.00 0.00 0.00 179.25 181.94 1t17 h MET 122 N 0.33 0.31 -0.01 0.00 4.05 -0.48 0.86 114.93 119.99 1t17 h MET 122 Ca -0.11 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1t17 h MET 122 Cb 1.63 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 1t17 h MET 122 CO 0.19 0.20 -0.07 -0.07 0.23 0.00 0.00 176.91 177.39 1t17 h LEU 123 N 0.32 0.08 -0.85 3.39 3.38 0.20 -2.64 115.31 119.19 1t17 h LEU 123 Ca 0.10 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1t17 h LEU 123 Cb -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1t17 h LEU 123 CO -0.04 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1t17 n ALA 124 N -2.48 1.19 -0.07 1.53 0.00 0.50 -0.08 120.51 121.11 1t17 n ALA 124 Ca -0.09 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1t17 n ALA 124 Cb 0.40 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1t17 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t17 h ALA 125 N 2.09 0.02 0.00 0.00 0.00 0.92 -3.31 119.26 118.97 1t17 h ALA 125 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1t17 h ALA 125 Cb 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t17 h ALA 125 CO 0.00 0.06 -0.15 -2.95 0.00 0.00 0.00 179.25 176.21 1t17 h ASN 126 N -1.00 0.00 -1.21 0.00 7.08 -1.01 -2.98 115.58 116.46 1t17 h ASN 126 Ca -0.02 0.00 0.41 0.00 -3.08 0.00 0.00 56.30 53.61 1t17 h ASN 126 Cb 0.70 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 36.80 1t17 h ASN 126 CO -0.01 0.15 0.75 1.62 -2.08 0.00 0.00 177.43 177.85 1t17 h VAL 127 N 0.00 0.13 0.27 6.14 3.04 -0.58 1.02 116.25 126.28 1t17 h VAL 127 Ca -0.00 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1t17 h VAL 127 Cb 0.62 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1t17 h VAL 127 CO 0.02 0.02 -0.13 -0.78 -1.01 0.00 0.00 177.57 175.69 1t17 h ASP 128 N 0.11 -0.31 -0.47 3.17 1.82 -1.71 -0.11 116.42 118.93 1t17 h ASP 128 Ca 0.81 -0.10 0.07 0.00 -0.39 0.00 0.00 57.03 57.42 1t17 h ASP 128 Cb 2.35 0.08 -0.06 0.00 0.68 0.00 0.00 39.33 42.39 1t17 h ASP 128 CO -0.51 -0.08 0.14 0.03 -1.61 0.00 0.00 179.24 177.20 1t17 h ARG 129 N -0.53 0.28 -0.73 0.28 -0.00 0.74 0.28 114.38 114.71 1t17 h ARG 129 Ca -0.04 -0.02 0.06 0.00 -0.50 0.00 0.00 59.98 59.49 1t17 h ARG 129 Cb 0.39 -0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.24 1t17 h ARG 129 CO 0.06 0.19 0.43 0.00 0.00 0.00 0.00 179.97 180.64 1t17 h ALA 130 N 1.33 0.99 0.00 0.04 0.00 -0.63 0.24 119.26 121.23 1t17 h ALA 130 Ca 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1t17 h ALA 130 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t17 h ALA 130 CO -0.26 0.13 -0.24 0.00 0.00 0.00 0.00 179.25 178.88 1t17 h ALA 131 N 1.37 1.27 -0.26 0.00 0.00 0.47 -0.16 119.26 121.94 1t17 h ALA 131 Ca 0.32 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1t17 h ALA 131 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t17 h ALA 131 CO -0.18 0.30 -0.41 0.78 0.00 0.00 0.00 179.25 179.74 1t17 h GLY 132 N 1.19 0.81 0.71 0.00 0.00 0.27 -0.75 103.07 105.30 1t17 h GLY 132 Ca -0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 47.33 46.34 1t17 h GLY 132 CO 0.03 0.82 -0.25 0.07 0.00 0.00 0.00 176.54 177.21 1t17 h LYS 133 N 0.48 0.35 -0.69 4.80 2.10 -0.69 -1.61 116.57 121.31 1t17 h LYS 133 Ca 0.02 -0.24 0.06 0.00 -2.00 0.00 0.00 60.65 58.49 1t17 h LYS 133 Cb 1.00 0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 32.31 1t17 h LYS 133 CO 0.09 0.85 0.39 1.37 -2.00 0.00 0.00 179.45 180.15 1t17 h LEU 134 N -0.09 0.59 -0.25 7.07 8.10 -1.06 0.51 115.31 130.16 1t17 h LEU 134 Ca -0.00 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1t17 h LEU 134 Cb 0.86 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 1t17 h LEU 134 CO 0.05 0.38 0.14 0.40 -4.11 0.00 0.00 178.44 175.30 1t17 h ILE 135 N 0.72 1.12 -0.17 0.15 2.04 -1.09 -1.16 117.51 119.11 1t17 h ILE 135 Ca 0.31 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1t17 h ILE 135 Cb 0.18 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1t17 h ILE 135 CO -0.18 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.09 1t17 h ALA 136 N 1.02 1.68 0.06 1.87 0.00 -0.29 -0.85 119.26 122.75 1t17 h ALA 136 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t17 h ALA 136 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1t17 h ALA 136 CO -0.01 0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 1t17 h PHE 138 N -0.18 1.21 0.18 0.00 3.57 -0.55 0.14 116.94 121.31 1t17 h PHE 138 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1t17 h PHE 138 Cb 0.15 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1t17 h PHE 138 CO -0.04 0.77 -0.09 1.49 -2.23 0.00 0.00 178.31 178.22 1t17 h GLU 139 N 1.29 -0.23 -0.90 1.11 4.81 -0.81 0.17 114.58 120.02 1t17 h GLU 139 Ca 0.34 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.63 1t17 h GLU 139 Cb -0.12 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1t17 h GLU 139 CO -0.07 0.00 0.58 0.00 -0.73 0.00 0.00 179.01 178.79 1t17 h ALA 140 N 0.35 1.21 -0.43 2.92 0.00 -0.29 -0.39 119.26 122.63 1t17 h ALA 140 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1t17 h ALA 140 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1t17 h ALA 140 CO 0.04 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.71 1t17 h ARG 141 N 1.11 0.69 -0.49 0.00 3.08 -0.50 0.44 114.38 118.70 1t17 h ARG 141 Ca 0.37 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1t17 h ARG 141 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1t17 h ARG 141 CO -0.13 0.69 0.11 0.00 -1.07 0.00 0.00 179.97 179.57 1t17 h ALA 142 N 1.37 0.65 -0.05 0.04 0.00 0.85 0.18 119.26 122.30 1t17 h ALA 142 Ca 0.13 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1t17 h ALA 142 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1t17 h ALA 142 CO 0.01 0.34 -0.69 0.37 0.00 0.00 0.00 179.25 179.28 1t17 h GLN 143 N 0.67 0.22 -0.26 0.00 4.15 -0.69 -1.14 115.11 118.06 1t17 h GLN 143 Ca 0.15 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 1t17 h GLN 143 Cb 0.34 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1t17 h GLN 143 CO 0.00 0.83 -0.37 0.37 -1.93 0.00 0.00 178.83 177.73 1t17 h GLN 144 N 0.15 0.58 -0.00 1.69 4.15 0.21 1.39 115.11 123.28 1t17 h GLN 144 Ca -0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1t17 h GLN 144 Cb 1.23 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1t17 h GLN 144 CO 0.11 0.87 -0.02 1.25 -1.93 0.00 0.00 178.83 179.10 1t17 h LEU 145 N 0.49 0.03 -0.94 -2.39 6.46 -0.56 -2.97 115.31 115.42 1t17 h LEU 145 Ca 0.05 -0.67 -0.11 0.00 -0.12 0.00 0.00 57.88 57.03 1t17 h LEU 145 Cb 0.87 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1t17 h LEU 145 CO 0.07 0.69 -0.49 0.45 -0.62 0.00 0.00 178.44 178.55 1t17 h HIS 146 N -0.63 0.11 0.24 1.25 3.86 -1.19 -3.19 115.15 115.61 1t17 h HIS 146 Ca -0.00 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1t17 h HIS 146 Cb 0.69 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 1t17 h HIS 146 CO 0.16 0.56 -0.40 0.78 0.86 0.00 0.00 177.93 179.89 1t17 h GLY 147 N 1.42 -0.87 0.48 2.45 0.00 0.19 -3.50 103.07 103.23 1t17 h GLY 147 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1t17 h GLY 147 CO 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.32