#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ac1 s GLN 2 N 0.00 4.10 -0.18 0.00 2.00 -1.26 -5.08 119.66 119.24 1ac1 s GLN 2 Ca 0.00 0.03 -0.05 0.00 -2.00 0.00 0.00 55.36 53.33 1ac1 s GLN 2 Cb 0.00 -3.57 -0.03 0.00 0.80 0.00 0.00 33.01 30.21 1ac1 s GLN 2 CO 0.00 -0.07 0.00 0.71 -0.50 0.00 0.00 175.29 175.43 1ac1 s TYR 3 N 1.44 3.07 -0.04 1.67 2.02 -1.26 -4.98 117.35 119.27 1ac1 s TYR 3 Ca 0.15 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1ac1 s TYR 3 Cb -0.15 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 1ac1 s TYR 3 CO 0.08 -0.10 -0.13 -2.00 -1.57 0.00 0.00 175.55 171.83 1ac1 s GLU 4 N 0.69 1.43 0.37 -0.62 2.12 -1.26 -5.04 118.70 116.39 1ac1 s GLU 4 Ca -0.00 -0.44 -0.27 0.00 0.36 0.00 0.00 54.97 54.62 1ac1 s GLU 4 Cb -0.14 -1.26 -0.11 0.00 0.26 0.00 0.00 34.13 32.88 1ac1 s GLU 4 CO 0.02 0.14 1.30 -3.47 -0.54 0.00 0.00 175.26 172.72 1ac1 n ASP 5 N 3.36 2.80 0.00 -1.70 -0.08 -1.26 -0.87 116.55 118.79 1ac1 n ASP 5 Ca -0.19 1.18 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1ac1 n ASP 5 Cb 0.53 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 42.49 1ac1 n ASP 5 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ac1 n GLY 6 N 0.75 2.89 0.00 0.27 0.00 0.63 -4.86 105.19 104.88 1ac1 n GLY 6 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ac1 n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ac1 n LYS 7 N -2.00 0.00 0.17 1.61 4.81 -0.05 -4.79 118.16 117.91 1ac1 n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1ac1 n LYS 7 Cb 0.00 0.00 0.44 0.00 0.02 0.00 0.00 35.03 35.49 1ac1 n LYS 7 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1ac1 h GLN 8 N 0.00 0.00 -3.48 1.64 7.50 -1.68 -3.30 115.11 115.79 1ac1 h GLN 8 Ca 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 1ac1 h GLN 8 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.47 1ac1 h GLN 8 CO 0.00 0.00 0.02 1.52 -1.50 0.00 0.00 178.83 178.87 1ac1 s TYR 9 N -3.31 0.34 0.05 2.96 1.13 -1.26 -0.24 117.35 117.03 1ac1 s TYR 9 Ca 0.06 -0.76 0.03 0.00 -1.41 0.00 0.00 57.07 54.99 1ac1 s TYR 9 Cb 0.09 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1ac1 s TYR 9 CO 0.54 -1.19 -0.10 0.99 -2.51 0.00 0.00 175.55 173.28 1ac1 s THR 10 N -3.46 0.75 -0.17 -3.49 2.01 0.11 -0.27 115.64 111.12 1ac1 s THR 10 Ca 0.20 -1.18 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 1ac1 s THR 10 Cb -0.03 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1ac1 s THR 10 CO 0.11 -0.34 0.09 -0.89 -0.69 0.00 0.00 174.62 172.90 1ac1 s THR 11 N -1.40 5.05 0.25 -0.82 2.01 -1.26 -0.25 115.64 119.22 1ac1 s THR 11 Ca -0.07 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1ac1 s THR 11 Cb -0.10 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1ac1 s THR 11 CO 0.01 0.48 1.26 -0.76 -0.69 0.00 0.00 174.62 174.92 1ac1 s LEU 12 N 0.12 4.45 0.06 4.42 1.43 0.14 -4.95 118.68 124.34 1ac1 s LEU 12 Ca 0.07 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.37 1ac1 s LEU 12 Cb -0.12 -3.62 -0.17 0.00 0.03 0.00 0.00 46.19 42.31 1ac1 s LEU 12 CO -0.00 -0.45 1.57 1.05 0.23 0.00 0.00 176.35 178.75 1ac1 h GLU 13 N 4.47 -0.18 -4.61 1.70 -0.00 -1.98 -3.38 114.58 110.60 1ac1 h GLU 13 Ca -0.46 0.01 -0.70 0.00 -0.00 0.00 0.00 59.36 58.21 1ac1 h GLU 13 Cb 1.22 0.04 -0.30 0.00 -0.00 0.00 0.00 28.75 29.71 1ac1 h GLU 13 CO 0.72 -0.00 -0.59 -1.59 -0.00 0.00 0.00 179.01 177.55 1ac1 s LYS 14 N -5.60 2.48 0.47 1.06 0.00 -1.26 -5.09 119.74 111.80 1ac1 s LYS 14 Ca -0.14 -1.36 -0.22 0.00 0.00 0.00 0.00 55.97 54.24 1ac1 s LYS 14 Cb 0.04 -3.50 -0.07 0.00 0.00 0.00 0.00 37.83 34.31 1ac1 s LYS 14 CO 0.64 -0.78 1.16 -2.14 0.00 0.00 0.00 175.35 174.23 1ac1 s PRO 15 N 1.34 3.69 -0.29 1.78 0.02 -1.26 -5.01 135.00 135.26 1ac1 s PRO 15 Ca 0.00 1.76 -0.07 0.00 0.02 0.00 0.00 61.00 62.72 1ac1 s PRO 15 Cb -0.21 -2.34 0.01 0.00 0.02 0.00 0.00 34.50 31.98 1ac1 s PRO 15 CO 0.01 -0.61 0.08 0.08 -0.33 0.00 0.00 177.00 176.22 1ac1 s VAL 16 N -1.57 3.95 0.30 3.83 1.01 -0.98 -5.06 120.40 121.88 1ac1 s VAL 16 Ca 0.65 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1ac1 s VAL 16 Cb -0.28 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 1ac1 s VAL 16 CO 0.34 0.09 0.85 0.00 0.00 0.00 0.00 175.10 176.37 1ac1 s ALA 17 N 1.50 3.27 0.00 5.51 0.00 -1.26 -3.66 121.76 127.12 1ac1 s ALA 17 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1ac1 s ALA 17 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1ac1 s ALA 17 CO 0.02 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1ac1 n GLY 18 N 0.35 1.65 3.75 0.00 0.00 -1.26 -5.02 105.19 104.65 1ac1 n GLY 18 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1ac1 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ac1 s ALA 19 N -3.16 2.49 0.79 4.61 0.00 -1.24 -4.97 121.76 120.28 1ac1 s ALA 19 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1ac1 s ALA 19 Cb 0.00 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1ac1 s ALA 19 CO 0.00 -1.29 1.18 -2.14 0.00 0.00 0.00 175.76 173.51 1ac1 s PRO 20 N -3.35 1.83 0.12 0.00 0.02 -1.26 -4.75 135.00 127.61 1ac1 s PRO 20 Ca 0.79 1.67 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 1ac1 s PRO 20 Cb -0.32 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.32 1ac1 s PRO 20 CO 0.35 -2.05 1.65 1.96 -0.33 0.00 0.00 177.00 178.58 1ac1 h GLN 21 N -0.80 -0.37 -4.36 5.54 4.20 -1.93 -3.35 115.11 114.04 1ac1 h GLN 21 Ca -0.46 0.03 -0.62 0.00 0.06 0.00 0.00 58.65 57.66 1ac1 h GLN 21 Cb 1.28 0.08 -0.38 0.00 0.30 0.00 0.00 27.48 28.76 1ac1 h GLN 21 CO 0.47 -0.25 -0.78 0.08 -0.67 0.00 0.00 178.83 177.69 1ac1 s VAL 22 N -6.09 1.62 -0.20 -0.54 1.01 -1.22 -0.34 120.40 114.63 1ac1 s VAL 22 Ca -0.15 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.36 1ac1 s VAL 22 Cb 0.08 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1ac1 s VAL 22 CO 0.66 -0.21 -0.00 -0.22 0.00 0.00 0.00 175.10 175.32 1ac1 s LEU 23 N 1.33 3.23 -0.07 3.92 2.96 -0.39 -0.31 118.68 129.35 1ac1 s LEU 23 Ca -0.02 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1ac1 s LEU 23 Cb -0.19 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1ac1 s LEU 23 CO -0.08 0.06 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.08 1ac1 s GLU 24 N 1.04 2.72 0.01 1.98 2.12 0.95 -0.65 118.70 126.88 1ac1 s GLU 24 Ca 0.02 -0.85 0.06 0.00 0.36 0.00 0.00 54.97 54.56 1ac1 s GLU 24 Cb -0.14 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1ac1 s GLU 24 CO 0.01 0.36 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.86 1ac1 s PHE 25 N -0.09 2.57 0.36 5.30 0.08 0.08 -0.12 117.98 126.15 1ac1 s PHE 25 Ca -0.05 -0.25 -0.10 0.00 0.12 0.00 0.00 56.93 56.65 1ac1 s PHE 25 Cb -0.14 -1.51 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1ac1 s PHE 25 CO 0.04 0.21 0.64 1.97 -0.10 0.00 0.00 175.22 177.98 1ac1 n PHE 26 N 1.83 -1.98 -3.76 0.36 -1.74 -0.66 -2.64 117.46 108.87 1ac1 n PHE 26 Ca -0.16 -1.92 -0.13 0.00 -0.56 0.00 0.00 57.45 54.67 1ac1 n PHE 26 Cb 0.52 0.75 -0.10 0.00 1.52 0.00 0.00 39.48 42.17 1ac1 n PHE 26 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1ac1 s SER 27 N -2.99 -0.30 0.02 5.98 0.15 -1.26 -1.45 113.70 113.85 1ac1 s SER 27 Ca 0.19 0.52 0.15 0.00 0.70 0.00 0.00 55.95 57.51 1ac1 s SER 27 Cb -0.03 0.58 0.64 0.00 -1.71 0.00 0.00 66.02 65.50 1ac1 s SER 27 CO 0.14 -0.19 1.48 0.49 1.20 0.00 0.00 173.24 176.36 1ac1 n PHE 28 N 2.52 0.07 0.71 3.44 3.72 -1.26 -2.00 117.46 124.66 1ac1 n PHE 28 Ca -0.15 0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1ac1 n PHE 28 Cb 0.57 -0.54 0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1ac1 n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ac1 n PHE 29 N -1.56 0.15 -2.65 1.38 3.72 -1.26 -4.60 117.46 112.63 1ac1 n PHE 29 Ca 0.03 0.04 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 1ac1 n PHE 29 Cb 0.17 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1ac1 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ac1 h PRO 31 N 8.57 -0.32 -0.26 0.00 0.11 -1.90 -2.06 132.00 136.14 1ac1 h PRO 31 Ca -0.22 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1ac1 h PRO 31 Cb 1.06 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ac1 h PRO 31 CO 1.06 -0.21 0.07 1.25 -0.21 0.00 0.00 178.00 179.96 1ac1 h LEU 32 N -0.33 0.33 -0.68 2.35 5.85 -1.93 -1.31 115.31 119.59 1ac1 h LEU 32 Ca 0.03 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ac1 h LEU 32 Cb 0.37 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1ac1 h LEU 32 CO -0.12 0.33 0.23 0.00 -0.34 0.00 0.00 178.44 178.54 1ac1 h TYR 34 N 0.98 0.86 -0.21 0.00 5.03 -0.64 -1.24 116.97 121.76 1ac1 h TYR 34 Ca 0.22 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1ac1 h TYR 34 Cb 0.27 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1ac1 h TYR 34 CO 0.02 0.64 0.10 0.37 -1.32 0.00 0.00 178.16 177.97 1ac1 h GLN 35 N 0.84 0.31 -0.83 1.82 5.75 -0.64 -1.23 115.11 121.13 1ac1 h GLN 35 Ca 0.21 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.75 1ac1 h GLN 35 Cb 0.08 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.51 1ac1 h GLN 35 CO -0.03 0.34 0.49 0.74 -2.65 0.00 0.00 178.83 177.72 1ac1 h PHE 36 N 0.21 0.89 0.31 3.99 -1.00 -0.45 -1.64 116.94 119.25 1ac1 h PHE 36 Ca 0.07 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1ac1 h PHE 36 Cb 0.14 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1ac1 h PHE 36 CO -0.02 0.40 -0.15 1.49 -1.61 0.00 0.00 178.31 178.42 1ac1 h GLU 37 N 0.84 -0.40 0.19 1.51 4.57 -0.96 0.84 114.58 121.17 1ac1 h GLU 37 Ca 0.39 0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 58.29 1ac1 h GLU 37 Cb 0.30 0.09 0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1ac1 h GLU 37 CO -0.22 -0.26 -1.36 1.49 -1.18 0.00 0.00 179.01 177.47 1ac1 h GLU 38 N -1.00 0.39 0.00 1.92 4.81 -1.29 -3.25 114.58 116.16 1ac1 h GLU 38 Ca -0.04 -0.67 -0.08 0.00 -0.13 0.00 0.00 59.36 58.43 1ac1 h GLU 38 Cb 0.31 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1ac1 h GLU 38 CO 0.07 1.32 -0.83 0.28 -0.73 0.00 0.00 179.01 179.12 1ac1 n VAL 39 N -3.61 1.46 0.09 0.32 0.31 -0.69 -4.62 118.33 111.58 1ac1 n VAL 39 Ca -0.13 0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1ac1 n VAL 39 Cb 1.06 -2.27 0.04 0.00 -0.91 0.00 0.00 33.84 31.76 1ac1 n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ac1 h LEU 40 N -1.00 0.22 -1.25 7.52 4.07 -1.46 -3.48 115.31 119.93 1ac1 h LEU 40 Ca -0.12 -0.16 -0.37 0.00 0.08 0.00 0.00 57.88 57.30 1ac1 h LEU 40 Cb 0.80 -0.07 0.14 0.00 1.08 0.00 0.00 40.66 42.62 1ac1 h LEU 40 CO -0.08 0.92 -0.73 1.41 -1.08 0.00 0.00 178.44 178.88 1ac1 n HIS 41 N -3.71 -2.52 -0.10 1.13 8.25 0.21 -4.89 115.22 113.59 1ac1 n HIS 41 Ca -0.03 0.97 -0.05 0.00 -0.26 0.00 0.00 57.72 58.35 1ac1 n HIS 41 Cb 0.75 -4.99 0.01 0.00 1.12 0.00 0.00 29.99 26.87 1ac1 n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1ac1 h ILE 42 N -2.30 0.68 -0.14 1.59 1.08 -1.61 -2.10 117.51 114.71 1ac1 h ILE 42 Ca -0.58 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1ac1 h ILE 42 Cb 1.36 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1ac1 h ILE 42 CO 0.54 0.01 -0.02 0.28 -0.69 0.00 0.00 178.15 178.27 1ac1 h SER 43 N 0.04 -0.10 -0.35 1.72 0.02 -1.91 -0.70 113.55 112.27 1ac1 h SER 43 Ca 0.17 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ac1 h SER 43 Cb 0.26 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1ac1 h SER 43 CO -0.34 -0.03 0.12 0.44 -1.14 0.00 0.00 176.83 175.88 1ac1 h ASP 44 N 0.02 0.12 -0.39 3.07 3.32 -1.89 -0.09 116.42 120.59 1ac1 h ASP 44 Ca 0.07 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1ac1 h ASP 44 Cb 0.09 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1ac1 h ASP 44 CO -0.13 0.11 0.12 0.78 -1.72 0.00 0.00 179.24 178.40 1ac1 h ASN 45 N 0.27 0.62 -0.30 6.45 2.35 -1.08 -0.72 115.58 123.16 1ac1 h ASN 45 Ca 0.16 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1ac1 h ASN 45 Cb 0.14 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1ac1 h ASN 45 CO -0.17 0.61 -0.02 0.58 -1.65 0.00 0.00 177.43 176.78 1ac1 h VAL 46 N 0.66 1.27 -0.60 2.81 2.07 -0.42 -3.02 116.25 119.02 1ac1 h VAL 46 Ca 0.15 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1ac1 h VAL 46 Cb 0.23 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1ac1 h VAL 46 CO -0.01 0.32 0.38 0.11 0.02 0.00 0.00 177.57 178.40 1ac1 h LYS 47 N 0.33 0.75 0.00 1.57 6.56 -0.37 -2.13 116.57 123.28 1ac1 h LYS 47 Ca 0.08 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1ac1 h LYS 47 Cb 0.48 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1ac1 h LYS 47 CO 0.02 0.50 0.07 0.87 -2.06 0.00 0.00 179.45 178.84 1ac1 h LYS 48 N 0.77 0.00 -0.01 3.15 1.57 -1.02 -1.86 116.57 119.17 1ac1 h LYS 48 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1ac1 h LYS 48 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1ac1 h LYS 48 CO -0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 1ac1 n LYS 49 N -2.36 1.40 -2.74 3.15 5.02 -0.83 -5.03 118.16 116.77 1ac1 n LYS 49 Ca -0.02 -1.13 -0.39 0.00 -2.02 0.00 0.00 58.31 54.76 1ac1 n LYS 49 Cb 0.10 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1ac1 n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ac1 s LEU 50 N -0.61 4.52 0.00 -0.35 1.43 -0.70 -4.79 118.68 118.17 1ac1 s LEU 50 Ca 0.01 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.81 1ac1 s LEU 50 Cb 0.01 -3.77 0.36 0.00 0.03 0.00 0.00 46.19 42.82 1ac1 s LEU 50 CO 0.01 0.04 0.86 -2.65 0.23 0.00 0.00 176.35 174.85 1ac1 n PRO 51 N 1.11 -4.64 -2.33 1.29 -0.02 -1.26 -4.92 135.00 124.23 1ac1 n PRO 51 Ca -0.00 -1.44 -0.42 0.00 -2.02 0.00 0.00 63.50 59.62 1ac1 n PRO 51 Cb 0.48 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 1ac1 n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ac1 s GLU 52 N -5.06 4.42 -0.14 -0.52 1.03 -1.26 -3.33 118.70 113.85 1ac1 s GLU 52 Ca 0.65 1.90 0.00 0.00 0.03 0.00 0.00 54.97 57.55 1ac1 s GLU 52 Cb -0.11 -3.28 0.00 0.00 -0.80 0.00 0.00 34.13 29.94 1ac1 s GLU 52 CO 0.54 -0.25 0.00 0.41 -1.33 0.00 0.00 175.26 174.63 1ac1 n GLY 53 N 2.89 0.33 3.25 -3.83 0.00 -1.26 -5.04 105.19 101.52 1ac1 n GLY 53 Ca 0.08 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1ac1 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ac1 s VAL 54 N -2.07 3.01 -0.09 1.61 1.01 -1.21 -5.11 120.40 117.55 1ac1 s VAL 54 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ac1 s VAL 54 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1ac1 s VAL 54 CO 0.00 0.38 -0.02 -1.59 0.00 0.00 0.00 175.10 173.87 1ac1 s LYS 55 N 1.41 2.98 -0.12 2.72 0.00 -1.26 -4.93 119.74 120.53 1ac1 s LYS 55 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 55.97 55.44 1ac1 s LYS 55 Cb -0.15 -2.74 -0.05 0.00 0.00 0.00 0.00 37.83 34.89 1ac1 s LYS 55 CO -0.05 0.64 0.23 -1.64 0.00 0.00 0.00 175.35 174.53 1ac1 s MET 56 N -0.72 3.90 -0.09 1.78 -1.94 -1.26 -3.45 119.30 117.51 1ac1 s MET 56 Ca 0.11 0.02 0.04 0.00 -1.71 0.00 0.00 55.69 54.15 1ac1 s MET 56 Cb -0.11 -3.30 -0.01 0.00 2.01 0.00 0.00 34.83 33.41 1ac1 s MET 56 CO 0.02 0.52 -0.22 0.99 -0.01 0.00 0.00 175.02 176.32 1ac1 s THR 57 N -0.36 2.29 -0.14 2.05 2.01 0.58 -5.01 115.64 117.06 1ac1 s THR 57 Ca 0.16 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1ac1 s THR 57 Cb -0.13 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1ac1 s THR 57 CO 0.05 0.56 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.62 1ac1 s LYS 58 N 0.19 2.41 0.17 4.92 2.20 -1.26 -0.03 119.74 128.33 1ac1 s LYS 58 Ca -0.13 -0.61 0.10 0.00 -0.36 0.00 0.00 55.97 54.97 1ac1 s LYS 58 Cb -0.16 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1ac1 s LYS 58 CO 0.07 -0.16 -0.18 0.71 -0.36 0.00 0.00 175.35 175.42 1ac1 s TYR 59 N 1.27 2.47 0.10 4.03 2.02 0.82 -4.97 117.35 123.09 1ac1 s TYR 59 Ca 0.01 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 1ac1 s TYR 59 Cb -0.14 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1ac1 s TYR 59 CO -0.08 0.47 0.22 -1.58 -1.57 0.00 0.00 175.55 173.01 1ac1 s HIS 60 N -1.52 3.45 0.26 2.71 2.46 -1.26 -1.65 115.29 119.74 1ac1 s HIS 60 Ca 0.21 0.17 0.09 0.00 0.47 0.00 0.00 55.06 55.99 1ac1 s HIS 60 Cb -0.09 -1.69 -0.04 0.00 -0.13 0.00 0.00 32.58 30.62 1ac1 s HIS 60 CO 0.11 0.55 0.03 0.14 -2.47 0.00 0.00 174.74 173.11 1ac1 s VAL 61 N -1.60 3.65 -0.12 0.89 -7.23 -0.53 -4.83 120.40 110.63 1ac1 s VAL 61 Ca 0.34 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1ac1 s VAL 61 Cb -0.12 -2.95 -0.24 0.00 0.56 0.00 0.00 36.38 33.64 1ac1 s VAL 61 CO 0.27 -0.35 0.37 0.59 -0.31 0.00 0.00 175.10 175.67 1ac1 n ASN 62 N -0.89 1.25 -0.07 4.85 3.02 -1.26 -4.54 115.26 117.62 1ac1 n ASN 62 Ca -0.07 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1ac1 n ASN 62 Cb 0.58 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1ac1 n ASN 62 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1ac1 n PHE 63 N -3.16 0.00 -4.63 3.10 1.16 -1.26 -4.46 117.46 108.21 1ac1 n PHE 63 Ca -0.28 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.08 1ac1 n PHE 63 Cb 1.06 -0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.78 1ac1 n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1ac1 s MET 64 N -1.86 1.22 -0.09 3.97 -1.94 -1.26 -4.81 119.30 114.53 1ac1 s MET 64 Ca 0.00 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1ac1 s MET 64 Cb 0.00 -1.14 0.00 0.00 2.01 0.00 0.00 34.83 35.70 1ac1 s MET 64 CO 0.00 0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.68 1ac1 n GLY 65 N 2.91 0.40 7.00 -0.03 0.00 -1.26 -3.74 105.19 110.47 1ac1 n GLY 65 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1ac1 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ac1 n GLY 66 N -2.08 2.57 0.23 -0.02 0.00 -1.26 -2.47 105.19 102.15 1ac1 n GLY 66 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1ac1 n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ac1 h ASP 67 N 7.08 0.00 0.32 1.61 3.32 -1.92 -1.79 116.42 125.05 1ac1 h ASP 67 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ac1 h ASP 67 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ac1 h ASP 67 CO 0.00 0.22 -0.31 0.25 -1.72 0.00 0.00 179.24 177.68 1ac1 h LEU 68 N 0.00 0.00 -1.22 1.55 6.46 -1.82 -2.47 115.31 117.82 1ac1 h LEU 68 Ca -0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1ac1 h LEU 68 Cb 0.45 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1ac1 h LEU 68 CO 0.03 0.31 0.56 1.23 -0.62 0.00 0.00 178.44 179.94 1ac1 h GLY 69 N 0.94 1.22 1.44 3.75 0.00 -1.08 -0.98 103.07 108.38 1ac1 h GLY 69 Ca -0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1ac1 h GLY 69 CO 0.04 0.25 -0.43 0.50 0.00 0.00 0.00 176.54 176.91 1ac1 h LYS 70 N 0.92 0.61 -0.38 4.80 1.57 -1.54 -2.49 116.57 120.06 1ac1 h LYS 70 Ca 0.38 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1ac1 h LYS 70 Cb 0.28 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1ac1 h LYS 70 CO -0.14 0.92 -0.18 -0.44 -0.57 0.00 0.00 179.45 179.03 1ac1 h ASP 71 N 0.50 0.73 0.50 0.86 3.32 -1.16 -2.33 116.42 118.84 1ac1 h ASP 71 Ca 0.04 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 1ac1 h ASP 71 Cb 0.95 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1ac1 h ASP 71 CO 0.09 0.91 -0.41 -0.07 -1.72 0.00 0.00 179.24 178.04 1ac1 h LEU 72 N 0.65 0.00 -0.66 1.55 3.38 -1.11 0.05 115.31 119.17 1ac1 h LEU 72 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1ac1 h LEU 72 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ac1 h LEU 72 CO 0.05 0.41 -0.43 0.74 0.09 0.00 0.00 178.44 179.29 1ac1 h THR 73 N 0.00 1.31 -0.06 0.22 2.02 -0.98 -0.97 112.91 114.45 1ac1 h THR 73 Ca -0.00 -1.62 -0.21 0.00 0.77 0.00 0.00 66.41 65.35 1ac1 h THR 73 Cb 0.77 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1ac1 h THR 73 CO 0.05 0.51 -0.82 -0.61 0.37 0.00 0.00 175.52 175.02 1ac1 h GLN 74 N 0.43 0.49 -0.29 6.66 4.15 -0.91 -2.58 115.11 123.06 1ac1 h GLN 74 Ca 0.03 -0.44 -0.09 0.00 0.77 0.00 0.00 58.65 58.92 1ac1 h GLN 74 Cb 0.94 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1ac1 h GLN 74 CO 0.08 1.08 -0.19 0.00 -1.93 0.00 0.00 178.83 177.87 1ac1 h ALA 75 N 0.78 1.14 -0.45 3.38 0.00 -0.87 -1.35 119.26 121.89 1ac1 h ALA 75 Ca -0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1ac1 h ALA 75 Cb 1.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1ac1 h ALA 75 CO 0.15 0.54 -0.14 2.35 0.00 0.00 0.00 179.25 182.15 1ac1 h TRP 76 N 0.47 0.95 -0.65 0.00 -0.00 -1.08 -0.99 115.95 114.64 1ac1 h TRP 76 Ca 0.08 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.89 58.77 1ac1 h TRP 76 Cb 0.60 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.49 1ac1 h TRP 76 CO 0.02 0.93 0.38 0.00 -0.00 0.00 0.00 178.44 179.77 1ac1 h ALA 77 N 1.08 0.83 -0.84 2.65 0.00 -1.01 -0.93 119.26 121.04 1ac1 h ALA 77 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ac1 h ALA 77 Cb 0.65 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ac1 h ALA 77 CO 0.05 0.32 0.54 0.28 0.00 0.00 0.00 179.25 180.44 1ac1 h VAL 78 N 0.88 1.22 -0.70 0.00 2.07 -0.82 0.62 116.25 119.53 1ac1 h VAL 78 Ca 0.23 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1ac1 h VAL 78 Cb 0.00 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1ac1 h VAL 78 CO -0.04 0.22 0.33 0.00 0.02 0.00 0.00 177.57 178.11 1ac1 h ALA 79 N 1.29 0.90 -0.27 1.67 0.00 -0.49 0.19 119.26 122.55 1ac1 h ALA 79 Ca 0.31 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ac1 h ALA 79 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1ac1 h ALA 79 CO -0.06 0.47 -0.08 0.52 0.00 0.00 0.00 179.25 180.09 1ac1 h MET 80 N 0.97 0.53 -0.55 0.00 2.86 -0.73 0.31 114.93 118.32 1ac1 h MET 80 Ca 0.24 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ac1 h MET 80 Cb 0.12 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1ac1 h MET 80 CO -0.03 0.75 0.36 0.00 1.06 0.00 0.00 176.91 179.05 1ac1 h ALA 81 N 0.77 0.70 0.00 6.32 0.00 -0.59 -1.65 119.26 124.81 1ac1 h ALA 81 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ac1 h ALA 81 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ac1 h ALA 81 CO 0.03 0.15 -0.04 1.28 0.00 0.00 0.00 179.25 180.67 1ac1 n LEU 82 N -4.69 0.42 -0.83 0.00 4.77 0.03 -4.93 117.00 111.76 1ac1 n LEU 82 Ca 0.03 0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1ac1 n LEU 82 Cb 0.03 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1ac1 n LEU 82 CO 0.35 -0.08 -0.09 0.61 -1.33 0.00 0.00 177.39 176.85 1ac1 n GLY 83 N 1.41 0.17 1.40 -0.72 0.00 -0.09 -4.95 105.19 102.41 1ac1 n GLY 83 Ca 0.06 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1ac1 n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ac1 n VAL 84 N -3.85 2.56 -0.20 1.61 0.24 -0.14 -4.76 118.33 113.79 1ac1 n VAL 84 Ca -0.09 -1.75 -0.06 0.00 -2.04 0.00 0.00 64.34 60.41 1ac1 n VAL 84 Cb 0.53 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1ac1 n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1ac1 h GLU 85 N 2.59 -0.16 0.00 7.34 3.07 -1.92 0.10 114.58 125.60 1ac1 h GLU 85 Ca 0.05 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1ac1 h GLU 85 Cb 1.77 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.72 1ac1 h GLU 85 CO 0.40 -0.11 0.00 -0.40 -1.40 0.00 0.00 179.01 177.50 1ac1 n ASP 86 N -5.43 0.42 -0.01 1.42 5.75 -1.26 -1.72 116.55 115.71 1ac1 n ASP 86 Ca 0.04 0.65 -0.14 0.00 -0.01 0.00 0.00 54.79 55.32 1ac1 n ASP 86 Cb 0.35 -0.72 -0.14 0.00 -1.03 0.00 0.00 41.12 39.59 1ac1 n ASP 86 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ac1 n LYS 87 N -2.01 0.69 -0.00 0.11 4.01 0.33 -4.61 118.16 116.67 1ac1 n LYS 87 Ca 0.01 0.27 0.07 0.00 -0.51 0.00 0.00 58.31 58.15 1ac1 n LYS 87 Cb 0.12 -1.75 -0.09 0.00 -0.51 0.00 0.00 35.03 32.81 1ac1 n LYS 87 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1ac1 n VAL 88 N -3.23 0.00 0.19 -0.18 0.24 -0.98 -4.65 118.33 109.73 1ac1 n VAL 88 Ca -0.24 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.34 61.71 1ac1 n VAL 88 Cb 1.05 0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 34.20 1ac1 n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1ac1 h THR 89 N 0.00 0.21 -0.25 3.34 2.02 -1.59 -1.87 112.91 114.77 1ac1 h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ac1 h THR 89 Cb 0.39 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1ac1 h THR 89 CO 0.00 0.00 0.07 0.58 0.37 0.00 0.00 175.52 176.54 1ac1 h VAL 90 N -0.73 1.21 -0.75 3.16 2.07 -1.86 -2.50 116.25 116.85 1ac1 h VAL 90 Ca -0.01 -0.66 0.14 0.00 0.82 0.00 0.00 66.70 66.98 1ac1 h VAL 90 Cb 0.69 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1ac1 h VAL 90 CO -0.12 0.21 0.50 -0.65 0.02 0.00 0.00 177.57 177.53 1ac1 h PRO 91 N 0.23 0.45 -0.18 1.57 0.11 -1.81 0.14 132.00 132.51 1ac1 h PRO 91 Ca 0.08 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.95 1ac1 h PRO 91 Cb 0.26 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.28 1ac1 h PRO 91 CO -0.00 0.30 -0.72 -0.07 -0.21 0.00 0.00 178.00 177.30 1ac1 h LEU 92 N 0.46 0.92 -0.33 2.35 3.38 -1.17 -0.24 115.31 120.69 1ac1 h LEU 92 Ca 0.37 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ac1 h LEU 92 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ac1 h LEU 92 CO -0.12 1.37 0.12 -0.26 0.09 0.00 0.00 178.44 179.63 1ac1 h PHE 93 N 0.55 0.51 -0.40 1.13 0.04 -0.81 -1.93 116.94 116.03 1ac1 h PHE 93 Ca -0.04 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1ac1 h PHE 93 Cb 1.34 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 39.33 1ac1 h PHE 93 CO 0.08 0.50 0.04 0.93 -0.60 0.00 0.00 178.31 179.26 1ac1 h GLU 94 N 0.37 0.68 -0.94 1.51 5.08 -1.01 -0.48 114.58 119.78 1ac1 h GLU 94 Ca 0.11 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ac1 h GLU 94 Cb 0.21 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1ac1 h GLU 94 CO -0.01 0.75 0.62 0.78 -1.00 0.00 0.00 179.01 180.15 1ac1 h GLY 95 N 0.52 1.37 0.06 -3.84 0.00 -0.89 0.35 103.07 100.64 1ac1 h GLY 95 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1ac1 h GLY 95 CO 0.01 0.39 -0.01 -2.08 0.00 0.00 0.00 176.54 174.85 1ac1 h VAL 96 N 1.18 0.90 0.10 4.60 2.07 -1.22 0.16 116.25 124.04 1ac1 h VAL 96 Ca 0.38 -1.60 -0.34 0.00 0.82 0.00 0.00 66.70 65.96 1ac1 h VAL 96 Cb 0.03 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1ac1 h VAL 96 CO -0.12 0.30 -1.86 0.00 0.02 0.00 0.00 177.57 175.91 1ac1 n GLN 97 N -4.73 0.72 0.00 1.57 6.02 -0.20 -4.19 117.38 116.57 1ac1 n GLN 97 Ca -0.06 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1ac1 n GLN 97 Cb 0.25 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1ac1 n GLN 97 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ac1 n LYS 98 N -3.67 0.00 0.23 -1.09 4.81 -0.10 -4.55 118.16 113.79 1ac1 n LYS 98 Ca -0.32 0.20 0.11 0.00 -0.87 0.00 0.00 58.31 57.44 1ac1 n LYS 98 Cb 0.98 -0.64 0.49 0.00 0.02 0.00 0.00 35.03 35.88 1ac1 n LYS 98 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1ac1 h THR 99 N 0.00 0.42 -6.22 3.15 1.35 -0.63 -3.47 112.91 107.50 1ac1 h THR 99 Ca 0.00 -1.00 -0.45 0.00 -0.55 0.00 0.00 66.41 64.40 1ac1 h THR 99 Cb 0.00 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1ac1 h THR 99 CO 0.00 0.17 -0.79 0.00 -0.25 0.00 0.00 175.52 174.65 1ac1 n GLN 100 N -3.31 -5.28 0.00 4.72 6.02 -0.65 -4.87 117.38 114.00 1ac1 n GLN 100 Ca 0.00 0.60 0.12 0.00 -0.01 0.00 0.00 57.00 57.72 1ac1 n GLN 100 Cb 0.41 -5.35 0.22 0.00 1.02 0.00 0.00 30.24 26.54 1ac1 n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ac1 n THR 101 N -4.53 0.00 -3.65 5.09 -2.24 0.47 -4.76 114.28 104.65 1ac1 n THR 101 Ca -0.09 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.03 1ac1 n THR 101 Cb 0.59 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1ac1 n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ac1 s ILE 102 N -2.31 4.04 0.00 2.28 1.01 -0.86 -4.85 121.20 120.52 1ac1 s ILE 102 Ca 0.26 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1ac1 s ILE 102 Cb 0.19 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1ac1 s ILE 102 CO 0.46 -0.44 0.00 0.54 0.00 0.00 0.00 174.94 175.51 1ac1 n ARG 103 N 4.86 6.01 -3.87 2.79 5.12 -1.26 -4.70 116.66 125.61 1ac1 n ARG 103 Ca -0.10 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.74 1ac1 n ARG 103 Cb 0.43 -0.52 -0.01 0.00 -1.16 0.00 0.00 32.46 31.20 1ac1 n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ac1 s SER 104 N -1.04 -0.08 0.29 0.55 1.04 -1.26 -5.05 113.70 108.15 1ac1 s SER 104 Ca 0.00 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.58 1ac1 s SER 104 Cb 0.00 0.76 0.68 0.00 0.10 0.00 0.00 66.02 67.55 1ac1 s SER 104 CO 0.00 -1.45 1.79 0.00 0.98 0.00 0.00 173.24 174.56 1ac1 h ALA 105 N 2.03 1.60 -0.77 5.32 0.00 -1.98 -1.94 119.26 123.53 1ac1 h ALA 105 Ca -0.25 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ac1 h ALA 105 Cb 1.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1ac1 h ALA 105 CO 0.32 0.02 0.50 0.77 0.00 0.00 0.00 179.25 180.86 1ac1 h SER 106 N 0.81 0.79 0.40 0.00 0.02 -2.01 -2.13 113.55 111.43 1ac1 h SER 106 Ca 0.55 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.44 1ac1 h SER 106 Cb 0.78 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1ac1 h SER 106 CO -0.35 0.53 -0.26 0.44 -1.14 0.00 0.00 176.83 176.05 1ac1 h ASP 107 N 0.91 0.00 -0.29 3.07 3.32 -1.68 -2.89 116.42 118.86 1ac1 h ASP 107 Ca 0.31 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1ac1 h ASP 107 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1ac1 h ASP 107 CO -0.10 0.26 -0.02 0.40 -1.72 0.00 0.00 179.24 178.07 1ac1 h ILE 108 N 0.00 1.26 -0.67 0.35 2.04 -1.44 -3.03 117.51 116.03 1ac1 h ILE 108 Ca -0.00 -0.97 0.12 0.00 1.00 0.00 0.00 64.86 65.00 1ac1 h ILE 108 Cb 0.54 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 1ac1 h ILE 108 CO 0.03 0.31 0.23 -0.09 0.00 0.00 0.00 178.15 178.64 1ac1 h ARG 109 N 0.31 0.38 -0.80 2.37 2.43 -1.52 -0.17 114.38 117.37 1ac1 h ARG 109 Ca 0.08 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1ac1 h ARG 109 Cb 0.46 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1ac1 h ARG 109 CO 0.02 0.25 0.52 -0.44 -1.51 0.00 0.00 179.97 178.81 1ac1 h ASP 110 N 0.39 0.69 -0.11 -3.80 3.32 -1.50 -1.57 116.42 113.84 1ac1 h ASP 110 Ca 0.35 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.43 1ac1 h ASP 110 Cb 0.50 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ac1 h ASP 110 CO -0.37 0.41 0.00 0.58 -1.72 0.00 0.00 179.24 178.15 1ac1 h VAL 111 N 0.76 0.93 -0.28 -1.35 2.07 -0.96 -0.60 116.25 116.83 1ac1 h VAL 111 Ca 0.37 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.87 1ac1 h VAL 111 Cb 0.41 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1ac1 h VAL 111 CO -0.14 0.01 0.16 -0.26 0.02 0.00 0.00 177.57 177.36 1ac1 h PHE 112 N 0.04 0.38 -0.75 1.57 -1.00 -1.20 -2.49 116.94 113.49 1ac1 h PHE 112 Ca 0.05 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.86 1ac1 h PHE 112 Cb 0.05 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.44 1ac1 h PHE 112 CO -0.13 0.31 0.47 0.82 -1.61 0.00 0.00 178.31 178.16 1ac1 h ILE 113 N 0.34 1.08 0.00 -0.55 2.04 -1.16 -0.85 117.51 118.41 1ac1 h ILE 113 Ca 0.10 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1ac1 h ILE 113 Cb 0.05 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1ac1 h ILE 113 CO -0.02 0.16 -0.06 0.78 0.00 0.00 0.00 178.15 179.01 1ac1 h ASN 114 N 0.89 0.00 0.40 1.72 2.35 -0.85 -1.50 115.58 118.59 1ac1 h ASN 114 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1ac1 h ASN 114 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1ac1 h ASN 114 CO -0.13 0.06 -0.18 0.00 -1.65 0.00 0.00 177.43 175.53 1ac1 n ALA 115 N -2.17 2.89 0.00 -0.83 0.00 -0.36 -4.93 120.51 115.11 1ac1 n ALA 115 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ac1 n ALA 115 Cb 0.23 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1ac1 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ac1 n GLY 116 N 1.34 0.90 3.75 0.00 0.00 -0.57 -5.10 105.19 105.51 1ac1 n GLY 116 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ac1 n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ac1 s ILE 117 N -2.00 4.80 0.30 -0.61 1.09 -1.00 -5.02 121.20 118.77 1ac1 s ILE 117 Ca 0.00 1.47 -0.29 0.00 -1.10 0.00 0.00 60.65 60.73 1ac1 s ILE 117 Cb 0.00 -4.04 -0.10 0.00 -1.06 0.00 0.00 42.46 37.26 1ac1 s ILE 117 CO 0.00 0.39 1.19 -1.59 -0.10 0.00 0.00 174.94 174.83 1ac1 s LYS 118 N -0.12 4.51 0.26 2.79 0.00 -1.26 -3.97 119.74 121.96 1ac1 s LYS 118 Ca 0.35 1.99 -0.02 0.00 0.00 0.00 0.00 55.97 58.30 1ac1 s LYS 118 Cb -0.20 -3.14 0.45 0.00 0.00 0.00 0.00 37.83 34.95 1ac1 s LYS 118 CO 0.21 0.03 1.84 0.78 0.00 0.00 0.00 175.35 178.21 1ac1 h GLY 119 N 3.63 1.48 1.01 0.59 0.00 -1.96 -0.99 103.07 106.83 1ac1 h GLY 119 Ca -0.48 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1ac1 h GLY 119 CO 0.66 0.20 0.48 0.83 0.00 0.00 0.00 176.54 178.72 1ac1 h GLU 120 N 0.98 1.06 -0.35 4.80 3.07 -1.99 -0.36 114.58 121.80 1ac1 h GLU 120 Ca 0.44 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 1ac1 h GLU 120 Cb 0.35 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1ac1 h GLU 120 CO -0.23 0.74 0.01 1.49 -1.40 0.00 0.00 179.01 179.62 1ac1 h GLU 121 N 1.07 0.61 -0.06 2.33 4.57 -1.71 -1.22 114.58 120.17 1ac1 h GLU 121 Ca 0.28 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ac1 h GLU 121 Cb -0.05 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1ac1 h GLU 121 CO -0.05 0.72 0.04 -0.92 -1.18 0.00 0.00 179.01 177.61 1ac1 h TYR 122 N 0.42 0.08 -0.98 0.92 3.20 -0.84 -0.41 116.97 119.35 1ac1 h TYR 122 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1ac1 h TYR 122 Cb 0.44 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1ac1 h TYR 122 CO 0.04 0.08 0.63 -0.44 -1.64 0.00 0.00 178.16 176.83 1ac1 h ASP 123 N 0.05 1.15 -0.49 -2.11 3.32 -1.02 0.14 116.42 117.46 1ac1 h ASP 123 Ca 0.02 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1ac1 h ASP 123 Cb 0.03 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1ac1 h ASP 123 CO -0.00 0.85 -0.08 0.00 -1.72 0.00 0.00 179.24 178.28 1ac1 h ALA 124 N 1.35 0.67 -0.39 3.45 0.00 -1.01 -2.98 119.26 120.34 1ac1 h ALA 124 Ca 0.36 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ac1 h ALA 124 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ac1 h ALA 124 CO -0.07 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1ac1 h ALA 125 N 0.90 0.51 -0.92 0.00 0.00 -0.58 -2.75 119.26 116.42 1ac1 h ALA 125 Ca 0.13 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1ac1 h ALA 125 Cb 0.62 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1ac1 h ALA 125 CO 0.04 0.25 0.52 2.35 0.00 0.00 0.00 179.25 182.41 1ac1 h TRP 126 N 0.49 0.91 -0.44 0.00 2.91 -0.63 -0.90 115.95 118.29 1ac1 h TRP 126 Ca 0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1ac1 h TRP 126 Cb 0.41 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1ac1 h TRP 126 CO 0.03 0.21 0.00 0.09 -1.03 0.00 0.00 178.44 177.74 1ac1 n ASN 127 N -4.82 2.95 -4.79 2.65 3.02 -1.14 -4.77 115.26 108.36 1ac1 n ASN 127 Ca 0.20 -1.94 -0.32 0.00 -0.03 0.00 0.00 54.58 52.48 1ac1 n ASN 127 Cb 0.50 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.41 1ac1 n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ac1 s SER 128 N -1.27 5.40 0.29 6.41 1.04 -0.34 -4.92 113.70 120.31 1ac1 s SER 128 Ca 0.38 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.67 1ac1 s SER 128 Cb 0.21 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 64.23 1ac1 s SER 128 CO 0.28 -1.43 1.77 0.15 0.98 0.00 0.00 173.24 174.99 1ac1 h PHE 129 N 0.02 0.63 -0.63 5.02 3.57 -1.91 -1.90 116.94 121.73 1ac1 h PHE 129 Ca -0.46 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 60.95 1ac1 h PHE 129 Cb 1.23 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1ac1 h PHE 129 CO 0.58 0.68 0.40 0.28 -2.23 0.00 0.00 178.31 178.02 1ac1 h VAL 130 N 0.53 1.12 -0.17 1.41 2.07 -1.92 0.00 116.25 119.29 1ac1 h VAL 130 Ca 0.10 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1ac1 h VAL 130 Cb 0.52 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ac1 h VAL 130 CO 0.03 0.15 -0.15 0.58 0.02 0.00 0.00 177.57 178.19 1ac1 h VAL 131 N 0.81 1.34 -0.47 2.57 2.07 -1.71 -0.42 116.25 120.43 1ac1 h VAL 131 Ca 0.24 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1ac1 h VAL 131 Cb -0.04 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1ac1 h VAL 131 CO -0.08 0.39 0.28 0.11 0.02 0.00 0.00 177.57 178.29 1ac1 h LYS 132 N 0.06 0.63 -0.07 1.57 6.56 -1.15 0.83 116.57 124.99 1ac1 h LYS 132 Ca 0.03 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 1ac1 h LYS 132 Cb 0.68 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1ac1 h LYS 132 CO 0.04 0.44 -0.03 1.03 -2.06 0.00 0.00 179.45 178.87 1ac1 h SER 133 N 0.64 0.15 -0.81 0.86 0.87 -0.86 -2.23 113.55 112.16 1ac1 h SER 133 Ca 0.17 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1ac1 h SER 133 Cb -0.02 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 1ac1 h SER 133 CO -0.03 0.52 0.54 -0.07 -0.53 0.00 0.00 176.83 177.25 1ac1 h LEU 134 N -0.21 0.91 -0.53 2.23 3.38 -0.21 -0.29 115.31 120.59 1ac1 h LEU 134 Ca 0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ac1 h LEU 134 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ac1 h LEU 134 CO 0.01 0.65 0.13 0.58 0.09 0.00 0.00 178.44 179.90 1ac1 h VAL 135 N 1.07 1.24 -0.61 1.22 2.07 -0.79 -1.32 116.25 119.14 1ac1 h VAL 135 Ca 0.31 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1ac1 h VAL 135 Cb -0.08 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1ac1 h VAL 135 CO -0.07 0.32 0.05 0.00 0.02 0.00 0.00 177.57 177.88 1ac1 h ALA 136 N 1.01 0.94 -0.20 1.67 0.00 -0.74 -2.29 119.26 119.65 1ac1 h ALA 136 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ac1 h ALA 136 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ac1 h ALA 136 CO 0.00 0.65 0.13 0.37 0.00 0.00 0.00 179.25 180.40 1ac1 h GLN 137 N 0.95 0.26 -0.74 0.00 4.15 -0.76 -0.65 115.11 118.31 1ac1 h GLN 137 Ca 0.18 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1ac1 h GLN 137 Cb 0.48 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1ac1 h GLN 137 CO 0.02 0.18 0.41 1.96 -1.93 0.00 0.00 178.83 179.47 1ac1 h GLN 138 N 0.26 1.03 -0.48 1.69 4.20 -1.09 -0.88 115.11 119.84 1ac1 h GLN 138 Ca 0.07 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1ac1 h GLN 138 Cb -0.02 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1ac1 h GLN 138 CO -0.01 0.77 -0.00 0.93 -0.67 0.00 0.00 178.83 179.84 1ac1 h GLU 139 N 1.02 0.85 -0.26 1.46 5.08 -1.10 -2.76 114.58 118.88 1ac1 h GLU 139 Ca 0.26 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ac1 h GLU 139 Cb 0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ac1 h GLU 139 CO -0.04 0.90 0.06 -0.22 -1.00 0.00 0.00 179.01 178.71 1ac1 h LYS 140 N 0.71 0.41 -0.75 2.33 3.64 -0.90 -2.25 116.57 119.77 1ac1 h LYS 140 Ca 0.14 -0.10 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1ac1 h LYS 140 Cb 0.51 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 1ac1 h LYS 140 CO 0.02 0.51 0.28 0.00 -2.27 0.00 0.00 179.45 178.00 1ac1 h ALA 141 N 0.89 1.04 -0.34 5.00 0.00 -1.07 0.21 119.26 124.99 1ac1 h ALA 141 Ca 0.08 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ac1 h ALA 141 Cb 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ac1 h ALA 141 CO 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 179.25 178.82 1ac1 h ALA 142 N 1.55 0.48 -0.48 0.00 0.00 -1.38 -2.98 119.26 116.46 1ac1 h ALA 142 Ca 0.41 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ac1 h ALA 142 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ac1 h ALA 142 CO -0.41 0.44 0.30 0.00 0.00 0.00 0.00 179.25 179.58 1ac1 h ALA 143 N 0.77 0.61 -0.86 0.00 0.00 -0.57 -1.28 119.26 117.91 1ac1 h ALA 143 Ca 0.07 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1ac1 h ALA 143 Cb 0.76 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1ac1 h ALA 143 CO 0.06 0.02 0.56 -0.44 0.00 0.00 0.00 179.25 179.45 1ac1 h ASP 144 N 0.61 0.82 -0.34 0.00 3.32 -0.58 -1.25 116.42 119.01 1ac1 h ASP 144 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ac1 h ASP 144 Cb -0.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1ac1 h ASP 144 CO -0.06 0.51 0.00 1.33 -1.72 0.00 0.00 179.24 179.30 1ac1 n VAL 145 N -4.50 0.43 -3.85 -1.35 0.24 -1.03 -4.93 118.33 103.34 1ac1 n VAL 145 Ca 0.14 -0.64 -0.28 0.00 -2.04 0.00 0.00 64.34 61.52 1ac1 n VAL 145 Cb 0.24 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1ac1 n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ac1 n GLN 146 N 1.16 -2.62 -1.67 7.34 6.02 -0.47 -4.83 117.38 122.30 1ac1 n GLN 146 Ca 0.18 0.42 -0.44 0.00 -0.01 0.00 0.00 57.00 57.16 1ac1 n GLN 146 Cb 0.53 -4.36 -0.03 0.00 1.02 0.00 0.00 30.24 27.39 1ac1 n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1ac1 n LEU 147 N -4.35 3.95 -0.01 1.08 7.94 -0.91 -4.90 117.00 119.80 1ac1 n LEU 147 Ca -0.23 0.94 -0.18 0.00 -1.11 0.00 0.00 56.01 55.43 1ac1 n LEU 147 Cb 0.65 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 42.97 1ac1 n LEU 147 CO 0.72 0.12 -0.78 -2.11 -1.11 0.00 0.00 177.39 174.24 1ac1 n ARG 148 N 6.82 0.72 -3.81 1.96 1.85 -1.26 -5.01 116.66 117.93 1ac1 n ARG 148 Ca 0.20 0.26 -0.09 0.00 -1.00 0.00 0.00 57.85 57.22 1ac1 n ARG 148 Cb 0.37 -1.72 0.03 0.00 -1.05 0.00 0.00 32.46 30.09 1ac1 n ARG 148 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ac1 s GLY 149 N -5.52 0.46 0.10 2.89 0.00 -1.26 -5.15 107.32 98.84 1ac1 s GLY 149 Ca -0.19 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.73 1ac1 s GLY 149 CO 0.78 -0.36 -0.07 -1.34 0.00 0.00 0.00 173.10 172.10 1ac1 s VAL 150 N -2.14 0.73 0.68 1.40 -7.23 -1.26 -4.50 120.40 108.08 1ac1 s VAL 150 Ca 0.16 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 1ac1 s VAL 150 Cb -0.05 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1ac1 s VAL 150 CO 0.12 -0.80 1.11 -2.16 -0.31 0.00 0.00 175.10 173.06 1ac1 s PRO 151 N -3.56 2.71 -0.11 4.82 0.04 -1.26 -4.90 135.00 132.74 1ac1 s PRO 151 Ca 0.10 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.28 1ac1 s PRO 151 Cb 0.03 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1ac1 s PRO 151 CO -0.04 -1.32 0.52 0.00 0.04 0.00 0.00 177.00 176.20 1ac1 s ALA 152 N -2.44 -1.30 -0.01 8.56 0.00 -1.08 -5.01 121.76 120.48 1ac1 s ALA 152 Ca 0.66 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1ac1 s ALA 152 Cb -0.20 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1ac1 s ALA 152 CO 0.44 -0.29 0.01 1.41 0.00 0.00 0.00 175.76 177.33 1ac1 s MET 153 N -0.57 0.00 0.02 0.00 1.75 -1.26 -0.74 119.30 118.50 1ac1 s MET 153 Ca -0.07 0.09 0.08 0.00 -1.25 0.00 0.00 55.69 54.54 1ac1 s MET 153 Cb -0.03 -0.15 -0.02 0.00 2.84 0.00 0.00 34.83 37.47 1ac1 s MET 153 CO 0.04 -0.08 -0.23 -0.06 -0.65 0.00 0.00 175.02 174.04 1ac1 s PHE 154 N 0.55 2.06 -0.14 4.11 0.40 0.18 -1.69 117.98 123.45 1ac1 s PHE 154 Ca -0.05 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1ac1 s PHE 154 Cb -0.07 -1.27 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 1ac1 s PHE 154 CO -0.02 0.05 -0.15 0.08 0.70 0.00 0.00 175.22 175.89 1ac1 s VAL 155 N -0.69 2.81 -0.94 -0.44 1.01 0.71 -1.26 120.40 121.61 1ac1 s VAL 155 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1ac1 s VAL 155 Cb -0.09 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1ac1 s VAL 155 CO 0.01 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.22 1ac1 n ASN 156 N 3.75 -2.95 0.00 3.32 3.02 0.54 -1.41 115.26 121.53 1ac1 n ASN 156 Ca -0.19 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1ac1 n ASN 156 Cb 0.52 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 1ac1 n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ac1 n GLY 157 N -0.46 0.08 0.05 7.41 0.00 -1.26 -4.74 105.19 106.27 1ac1 n GLY 157 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1ac1 n GLY 157 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ac1 n LYS 158 N -0.12 1.11 -4.28 1.61 0.00 -0.50 -2.31 118.16 113.68 1ac1 n LYS 158 Ca 0.00 0.04 -0.29 0.00 -0.00 0.00 0.00 58.31 58.06 1ac1 n LYS 158 Cb 0.33 -1.21 -0.11 0.00 -0.00 0.00 0.00 35.03 34.04 1ac1 n LYS 158 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1ac1 s TYR 159 N -2.21 2.61 -0.10 5.58 2.02 -0.88 -0.69 117.35 123.69 1ac1 s TYR 159 Ca -0.11 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1ac1 s TYR 159 Cb 0.03 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1ac1 s TYR 159 CO 0.28 0.42 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.42 1ac1 s GLN 160 N -2.26 1.80 0.30 -0.62 0.74 0.65 -0.20 119.66 120.07 1ac1 s GLN 160 Ca 0.20 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.91 1ac1 s GLN 160 Cb -0.10 -1.62 -0.10 0.00 1.10 0.00 0.00 33.01 32.28 1ac1 s GLN 160 CO 0.12 -0.11 1.42 -0.51 -0.55 0.00 0.00 175.29 175.66 1ac1 s LEU 161 N 1.14 4.38 -0.64 3.68 1.02 -0.68 0.06 118.68 127.64 1ac1 s LEU 161 Ca -0.05 2.78 0.03 0.00 0.02 0.00 0.00 54.13 56.91 1ac1 s LEU 161 Cb -0.14 -3.64 0.16 0.00 0.02 0.00 0.00 46.19 42.58 1ac1 s LEU 161 CO -0.02 -0.70 0.42 0.21 0.02 0.00 0.00 176.35 176.27 1ac1 s ASN 162 N 0.01 4.76 0.65 2.29 2.47 0.66 -4.74 114.94 121.05 1ac1 s ASN 162 Ca 0.55 -3.41 0.40 0.00 0.42 0.00 0.00 52.86 50.82 1ac1 s ASN 162 Cb -0.43 -1.68 2.23 0.00 -1.45 0.00 0.00 41.25 39.92 1ac1 s ASN 162 CO 0.51 -0.18 2.32 1.55 -3.72 0.00 0.00 177.10 177.58 1ac1 h PRO 163 N 6.05 0.00 0.00 0.43 0.13 -1.88 -1.27 132.00 135.47 1ac1 h PRO 163 Ca 0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 1ac1 h PRO 163 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1ac1 h PRO 163 CO 0.72 0.00 -0.20 0.37 -0.23 0.00 0.00 178.00 178.66 1ac1 h GLN 164 N 0.00 0.00 -0.71 0.86 4.15 -1.92 -1.32 115.11 116.16 1ac1 h GLN 164 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ac1 h GLN 164 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1ac1 h GLN 164 CO -0.00 0.20 0.00 0.41 -1.93 0.00 0.00 178.83 177.51 1ac1 n GLY 165 N -0.46 2.30 3.64 2.39 0.00 -0.48 -4.91 105.19 107.68 1ac1 n GLY 165 Ca -0.01 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1ac1 n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ac1 s MET 166 N -2.03 2.26 -0.58 1.61 -1.94 -0.50 -4.08 119.30 114.04 1ac1 s MET 166 Ca 0.34 -1.46 -0.27 0.00 -1.71 0.00 0.00 55.69 52.59 1ac1 s MET 166 Cb 0.25 -2.13 -0.02 0.00 2.01 0.00 0.00 34.83 34.94 1ac1 s MET 166 CO 0.11 0.33 1.80 0.34 -0.01 0.00 0.00 175.02 177.59 1ac1 s ASP 167 N -3.68 5.44 0.15 3.03 -1.08 -1.26 -4.82 116.67 114.44 1ac1 s ASP 167 Ca 0.32 0.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.01 1ac1 s ASP 167 Cb -0.06 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.39 1ac1 s ASP 167 CO 0.20 -2.23 1.49 0.41 0.52 0.00 0.00 175.17 175.55 1ac1 n THR 168 N 7.18 0.44 -0.21 1.71 -1.04 -1.26 -4.03 114.28 117.07 1ac1 n THR 168 Ca 0.19 -0.27 -0.02 0.00 -2.04 0.00 0.00 64.05 61.91 1ac1 n THR 168 Cb 0.51 -0.29 0.04 0.00 -1.82 0.00 0.00 70.33 68.78 1ac1 n THR 168 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ac1 h SER 169 N 0.00 -0.84 -3.26 8.00 0.02 -2.03 -3.37 113.55 112.08 1ac1 h SER 169 Ca 0.00 0.21 -0.67 0.00 -0.84 0.00 0.00 61.79 60.49 1ac1 h SER 169 Cb 0.74 0.47 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 1ac1 h SER 169 CO 0.00 -0.26 -0.80 0.21 -1.14 0.00 0.00 176.83 174.85 1ac1 s ASN 170 N -5.20 3.73 0.37 3.07 3.84 -1.26 -5.02 114.94 114.47 1ac1 s ASN 170 Ca -0.14 -0.62 0.07 0.00 0.21 0.00 0.00 52.86 52.38 1ac1 s ASN 170 Cb 0.18 -1.59 0.71 0.00 -0.55 0.00 0.00 41.25 40.00 1ac1 s ASN 170 CO 0.72 -0.03 1.91 0.24 -2.79 0.00 0.00 177.10 177.15 1ac1 h MET 171 N 8.00 0.39 -0.32 0.43 2.86 -1.88 0.92 114.93 125.32 1ac1 h MET 171 Ca -0.42 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.06 1ac1 h MET 171 Cb 1.14 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1ac1 h MET 171 CO 0.61 0.45 -0.12 -0.44 1.06 0.00 0.00 176.91 178.47 1ac1 h ASP 172 N 0.37 0.67 -0.49 1.22 3.32 -1.96 -0.40 116.42 119.16 1ac1 h ASP 172 Ca 0.08 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 1ac1 h ASP 172 Cb 0.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1ac1 h ASP 172 CO 0.01 0.91 -0.03 0.58 -1.72 0.00 0.00 179.24 178.99 1ac1 h VAL 173 N 0.43 1.27 0.15 -1.35 2.07 -1.86 -2.67 116.25 114.27 1ac1 h VAL 173 Ca 0.08 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1ac1 h VAL 173 Cb 0.64 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1ac1 h VAL 173 CO 0.04 0.39 -0.22 0.15 0.02 0.00 0.00 177.57 177.95 1ac1 h PHE 174 N 0.75 -0.58 -0.55 1.57 3.57 -0.66 0.11 116.94 121.15 1ac1 h PHE 174 Ca 0.14 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1ac1 h PHE 174 Cb 0.55 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 1ac1 h PHE 174 CO 0.04 -0.32 0.18 0.28 -2.23 0.00 0.00 178.31 176.27 1ac1 h VAL 175 N -0.43 0.78 -0.10 1.41 2.07 -1.00 0.69 116.25 119.68 1ac1 h VAL 175 Ca 0.02 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1ac1 h VAL 175 Cb 0.43 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ac1 h VAL 175 CO -0.10 0.06 -0.44 1.56 0.02 0.00 0.00 177.57 178.68 1ac1 h GLN 176 N 0.35 0.23 -0.34 1.57 1.08 -1.14 -1.26 115.11 115.61 1ac1 h GLN 176 Ca 0.27 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.22 1ac1 h GLN 176 Cb 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1ac1 h GLN 176 CO -0.29 0.63 -0.34 0.37 -0.95 0.00 0.00 178.83 178.26 1ac1 h GLN 177 N 0.19 0.76 -0.37 1.46 4.15 0.18 0.83 115.11 122.32 1ac1 h GLN 177 Ca 0.01 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.03 1ac1 h GLN 177 Cb 0.85 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1ac1 h GLN 177 CO 0.07 0.98 0.04 -0.92 -1.93 0.00 0.00 178.83 177.07 1ac1 h TYR 178 N 0.63 0.66 -0.34 3.99 5.03 -0.62 -0.58 116.97 125.75 1ac1 h TYR 178 Ca 0.07 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.23 1ac1 h TYR 178 Cb 0.87 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 1ac1 h TYR 178 CO 0.05 0.68 0.03 0.00 -1.32 0.00 0.00 178.16 177.60 1ac1 h ALA 179 N 0.90 0.45 -0.44 1.82 0.00 -1.01 -2.51 119.26 118.46 1ac1 h ALA 179 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ac1 h ALA 179 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ac1 h ALA 179 CO 0.01 0.18 0.13 -0.44 0.00 0.00 0.00 179.25 179.13 1ac1 h ASP 180 N 0.39 0.59 -0.60 0.00 3.32 -0.74 -1.55 116.42 117.84 1ac1 h ASP 180 Ca 0.10 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1ac1 h ASP 180 Cb 0.40 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1ac1 h ASP 180 CO 0.01 0.58 0.12 0.74 -1.72 0.00 0.00 179.24 178.97 1ac1 h THR 181 N 0.63 1.26 -0.15 0.35 2.02 -0.91 -0.26 112.91 115.84 1ac1 h THR 181 Ca 0.15 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1ac1 h THR 181 Cb 0.21 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1ac1 h THR 181 CO -0.01 0.35 0.06 0.58 0.37 0.00 0.00 175.52 176.88 1ac1 h VAL 182 N 0.89 1.16 -0.21 3.16 2.07 -0.99 -1.58 116.25 120.74 1ac1 h VAL 182 Ca 0.19 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ac1 h VAL 182 Cb 0.39 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1ac1 h VAL 182 CO 0.01 0.15 0.05 0.50 0.02 0.00 0.00 177.57 178.30 1ac1 h LYS 183 N 0.08 0.14 -0.72 1.57 3.64 -1.14 -0.25 116.57 119.89 1ac1 h LYS 183 Ca 0.05 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1ac1 h LYS 183 Cb 0.18 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1ac1 h LYS 183 CO -0.00 0.09 0.39 -0.92 -2.27 0.00 0.00 179.45 176.74 1ac1 h TYR 184 N 0.14 0.70 0.00 1.91 3.20 -0.91 -2.48 116.97 119.53 1ac1 h TYR 184 Ca 0.10 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 1ac1 h TYR 184 Cb 0.08 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1ac1 h TYR 184 CO -0.14 0.29 -0.64 -0.07 -1.64 0.00 0.00 178.16 175.97 1ac1 h LEU 185 N 0.68 0.00 -1.39 2.82 3.38 -0.78 -3.25 115.31 116.77 1ac1 h LEU 185 Ca 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 1ac1 h LEU 185 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1ac1 h LEU 185 CO -0.23 0.64 -0.30 0.77 0.09 0.00 0.00 178.44 179.40 1ac1 h SER 186 N 0.00 0.00 -2.40 -0.43 4.64 -0.58 -3.17 113.55 111.61 1ac1 h SER 186 Ca -0.01 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.61 1ac1 h SER 186 Cb 1.19 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.94 1ac1 h SER 186 CO 0.08 0.30 0.14 -1.84 -0.87 0.00 0.00 176.83 174.65 1ac1 n GLU 187 N -4.12 3.94 0.00 4.77 0.28 -1.19 -5.03 120.64 119.29 1ac1 n GLU 187 Ca -0.02 -4.70 0.00 0.00 -0.16 0.00 0.00 57.16 52.28 1ac1 n GLU 187 Cb 0.35 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 30.86 1ac1 n GLU 187 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14