#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c1e s LEU 7 N 0.00 3.25 -0.02 -5.58 1.43 -1.26 -5.02 118.68 111.48 3c1e s LEU 7 Ca 0.00 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3c1e s LEU 7 Cb 0.00 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3c1e s LEU 7 CO 0.00 0.17 -0.21 -1.00 0.23 0.00 0.00 176.35 175.53 3c1e s HIS 8 N -1.31 1.92 0.03 0.29 3.76 -1.26 -5.11 115.29 113.61 3c1e s HIS 8 Ca 0.24 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.49 3c1e s HIS 8 Cb -0.11 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.29 3c1e s HIS 8 CO 0.16 -0.04 0.89 0.15 -0.85 0.00 0.00 174.74 175.05 3c1e s LYS 9 N -0.47 4.57 0.14 1.40 1.02 -1.26 -4.29 119.74 120.85 3c1e s LYS 9 Ca 0.07 1.28 0.10 0.00 0.02 0.00 0.00 55.97 57.44 3c1e s LYS 9 Cb -0.09 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3c1e s LYS 9 CO -0.01 0.11 -0.23 -1.21 -0.92 0.00 0.00 175.35 173.09 3c1e s GLU 10 N 0.48 1.34 0.58 1.68 2.02 0.71 -4.95 118.70 120.56 3c1e s GLU 10 Ca 0.46 -1.35 -0.18 0.00 0.02 0.00 0.00 54.97 53.92 3c1e s GLU 10 Cb -0.21 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 3c1e s GLU 10 CO 0.26 0.38 1.10 -1.25 0.02 0.00 0.00 175.26 175.77 3c1e s PRO 11 N -2.27 3.23 0.16 0.39 0.04 -1.26 -0.30 135.00 134.99 3c1e s PRO 11 Ca 0.14 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 3c1e s PRO 11 Cb -0.09 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3c1e s PRO 11 CO 0.07 -0.92 0.75 0.00 0.04 0.00 0.00 177.00 176.93 3c1e s ALA 12 N -2.06 -1.54 0.06 8.56 0.00 -0.99 -4.60 121.76 121.18 3c1e s ALA 12 Ca 0.69 0.30 0.07 0.00 0.00 0.00 0.00 51.96 53.02 3c1e s ALA 12 Cb -0.21 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 3c1e s ALA 12 CO 0.32 -0.88 -0.19 0.95 0.00 0.00 0.00 175.76 175.96 3c1e s THR 13 N -3.60 1.52 0.18 0.00 -4.23 -0.98 -4.02 115.64 104.50 3c1e s THR 13 Ca 0.06 -1.26 -0.31 0.00 -1.18 0.00 0.00 61.69 59.01 3c1e s THR 13 Cb -0.02 -1.36 -0.09 0.00 1.34 0.00 0.00 72.50 72.37 3c1e s THR 13 CO -0.04 0.06 1.46 -0.22 -0.54 0.00 0.00 174.62 175.33 3c1e s LEU 14 N -1.41 4.38 -0.16 4.79 2.96 -1.26 -0.13 118.68 127.84 3c1e s LEU 14 Ca 0.05 2.52 -0.13 0.00 -0.22 0.00 0.00 54.13 56.36 3c1e s LEU 14 Cb -0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3c1e s LEU 14 CO 0.02 -0.71 -0.25 -0.38 -1.32 0.00 0.00 176.35 173.72 3c1e n ILE 15 N 3.39 1.45 -3.63 6.68 5.41 0.53 -4.79 119.36 128.40 3c1e n ILE 15 Ca 0.10 0.18 -0.14 0.00 1.00 0.00 0.00 62.75 63.90 3c1e n ILE 15 Cb 0.40 -2.37 -0.07 0.00 -0.71 0.00 0.00 39.64 36.89 3c1e n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3c1e s LYS 16 N -2.52 0.83 0.58 0.38 -2.85 -0.74 -5.02 119.74 110.40 3c1e s LYS 16 Ca -0.21 0.97 -0.20 0.00 -1.00 0.00 0.00 55.97 55.53 3c1e s LYS 16 Cb 0.03 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 3c1e s LYS 16 CO 0.31 -0.10 1.32 0.00 0.10 0.00 0.00 175.35 176.97 3c1e s ALA 17 N 0.35 2.64 0.00 0.59 0.00 -1.26 -0.87 121.76 123.20 3c1e s ALA 17 Ca -0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3c1e s ALA 17 Cb -0.05 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3c1e s ALA 17 CO 0.01 -1.42 0.00 -0.89 0.00 0.00 0.00 175.76 173.46 3c1e n ILE 18 N -1.38 0.00 -2.79 0.00 5.41 -1.19 -4.81 119.36 114.60 3c1e n ILE 18 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3c1e n ILE 18 Cb 0.47 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 3c1e n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3c1e n ASP 19 N -2.45 0.00 -0.06 4.38 5.75 -0.96 -5.01 116.55 118.19 3c1e n ASP 19 Ca 0.00 -0.03 0.07 0.00 -0.01 0.00 0.00 54.79 54.82 3c1e n ASP 19 Cb 0.00 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 40.53 3c1e n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3c1e h GLY 20 N 0.00 0.65 -0.05 6.12 0.00 -1.82 -3.28 103.07 104.69 3c1e h GLY 20 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3c1e h GLY 20 CO 0.00 0.18 -0.02 2.09 0.00 0.00 0.00 176.54 178.78 3c1e n ASP 21 N -4.47 1.13 -4.12 0.19 5.68 -1.26 -4.76 116.55 108.93 3c1e n ASP 21 Ca 0.07 -1.67 -0.18 0.00 -0.50 0.00 0.00 54.79 52.51 3c1e n ASP 21 Cb 0.19 -0.04 -0.13 0.00 -1.14 0.00 0.00 41.12 40.01 3c1e n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3c1e s THR 22 N -0.67 0.96 -0.07 2.12 -4.23 -1.24 -0.62 115.64 111.89 3c1e s THR 22 Ca 0.02 -1.06 -0.21 0.00 -1.18 0.00 0.00 61.69 59.26 3c1e s THR 22 Cb 0.02 -0.91 0.05 0.00 1.34 0.00 0.00 72.50 72.99 3c1e s THR 22 CO 0.00 -0.14 0.49 0.54 -0.54 0.00 0.00 174.62 174.98 3c1e s VAL 23 N -1.04 0.02 -0.26 2.29 0.11 -0.60 -2.27 120.40 118.65 3c1e s VAL 23 Ca -0.02 -0.18 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 3c1e s VAL 23 Cb -0.09 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 3c1e s VAL 23 CO 0.01 -0.10 0.17 -0.75 -3.33 0.00 0.00 175.10 171.10 3c1e s LYS 24 N -0.85 3.99 0.12 1.54 2.20 -0.05 -0.23 119.74 126.46 3c1e s LYS 24 Ca -0.09 -0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.28 3c1e s LYS 24 Cb -0.03 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3c1e s LYS 24 CO 0.05 -0.06 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.32 3c1e s LEU 25 N 1.39 2.38 -0.28 5.43 1.43 -0.36 -0.35 118.68 128.32 3c1e s LEU 25 Ca 0.07 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 3c1e s LEU 25 Cb -0.15 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 3c1e s LEU 25 CO 0.07 -0.09 0.35 -0.32 0.23 0.00 0.00 176.35 176.58 3c1e s MET 26 N -2.49 3.93 -0.08 1.70 -2.45 0.81 -0.96 119.30 119.75 3c1e s MET 26 Ca 0.08 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.45 3c1e s MET 26 Cb -0.06 -3.68 0.01 0.00 1.25 0.00 0.00 34.83 32.35 3c1e s MET 26 CO 0.04 -0.31 -0.15 -0.47 1.05 0.00 0.00 175.02 175.18 3c1e s TYR 27 N 2.02 1.79 -1.71 4.11 5.04 0.08 -2.32 117.35 126.35 3c1e s TYR 27 Ca 0.13 -0.74 -0.19 0.00 -2.44 0.00 0.00 57.07 53.84 3c1e s TYR 27 Cb -0.16 -1.28 0.16 0.00 0.35 0.00 0.00 41.96 41.03 3c1e s TYR 27 CO 0.10 -0.36 0.79 1.63 -1.34 0.00 0.00 175.55 176.37 3c1e n LYS 28 N 3.91 -3.10 -0.99 4.97 5.02 -1.26 -1.39 118.16 125.33 3c1e n LYS 28 Ca -0.21 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3c1e n LYS 28 Cb 0.52 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 3c1e n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c1e n GLY 29 N -1.38 0.90 3.38 0.72 0.00 -1.26 -5.02 105.19 102.53 3c1e n GLY 29 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3c1e n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3c1e s GLN 30 N -0.01 2.48 0.15 1.61 -1.52 -0.48 -5.08 119.66 116.81 3c1e s GLN 30 Ca 0.00 -0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 52.30 3c1e s GLN 30 Cb 0.00 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 3c1e s GLN 30 CO 0.00 0.53 1.43 -1.25 -0.25 0.00 0.00 175.29 175.75 3c1e s PRO 31 N -0.50 4.29 -0.05 2.91 0.04 -1.26 -0.74 135.00 139.69 3c1e s PRO 31 Ca 0.06 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.20 3c1e s PRO 31 Cb -0.11 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.23 3c1e s PRO 31 CO 0.01 -0.46 0.17 -1.64 0.04 0.00 0.00 177.00 175.12 3c1e s MET 32 N 0.89 0.28 -0.15 4.56 -1.94 -0.14 -4.94 119.30 117.87 3c1e s MET 32 Ca 0.65 0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 54.51 3c1e s MET 32 Cb -0.39 0.13 -0.03 0.00 2.01 0.00 0.00 34.83 36.55 3c1e s MET 32 CO 0.32 -0.05 0.63 0.99 -0.01 0.00 0.00 175.02 176.91 3c1e s THR 33 N -0.26 5.05 -0.16 2.05 2.01 -1.26 -1.23 115.64 121.83 3c1e s THR 33 Ca -0.04 1.24 -0.07 0.00 0.31 0.00 0.00 61.69 63.13 3c1e s THR 33 Cb -0.03 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3c1e s THR 33 CO 0.01 0.18 0.08 -0.36 -0.69 0.00 0.00 174.62 173.83 3c1e s PHE 34 N 1.43 3.32 -0.21 4.92 0.40 0.68 -0.42 117.98 128.10 3c1e s PHE 34 Ca 0.31 0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.75 3c1e s PHE 34 Cb -0.16 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 3c1e s PHE 34 CO 0.12 0.30 0.10 0.50 0.70 0.00 0.00 175.22 176.93 3c1e s ARG 35 N 0.02 3.96 0.04 0.44 6.06 0.11 -1.56 118.95 128.03 3c1e s ARG 35 Ca 0.07 -0.34 -0.31 0.00 -2.50 0.00 0.00 55.73 52.65 3c1e s ARG 35 Cb -0.12 -3.34 -0.07 0.00 0.06 0.00 0.00 34.95 31.48 3c1e s ARG 35 CO 0.01 0.14 1.49 -0.51 -2.50 0.00 0.00 175.30 173.93 3c1e s LEU 36 N 0.77 4.34 0.47 -0.88 1.02 0.21 -3.05 118.68 121.56 3c1e s LEU 36 Ca 0.05 2.29 -0.24 0.00 0.02 0.00 0.00 54.13 56.25 3c1e s LEU 36 Cb -0.13 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.44 3c1e s LEU 36 CO 0.02 -0.77 1.33 -0.76 0.02 0.00 0.00 176.35 176.19 3c1e s LEU 37 N 2.27 4.05 0.00 1.79 1.43 -0.73 -3.86 118.68 123.63 3c1e s LEU 37 Ca 0.68 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 56.47 3c1e s LEU 37 Cb -0.35 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 41.80 3c1e s LEU 37 CO 0.29 -1.15 0.00 0.18 0.23 0.00 0.00 176.35 175.90 3c1e n LEU 38 N -0.38 0.33 -4.26 1.79 4.77 -1.26 -4.92 117.00 113.08 3c1e n LEU 38 Ca 0.06 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 3c1e n LEU 38 Cb 0.44 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 3c1e n LEU 38 CO 0.54 -0.27 -0.41 0.68 -1.33 0.00 0.00 177.39 176.60 3c1e s VAL 39 N -2.11 1.22 -0.09 4.08 -7.23 -1.20 -1.39 120.40 113.68 3c1e s VAL 39 Ca 0.00 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 3c1e s VAL 39 Cb 0.00 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 35.14 3c1e s VAL 39 CO 0.00 -0.72 0.07 -0.62 -0.31 0.00 0.00 175.10 173.52 3c1e s ASP 40 N -3.15 1.62 0.21 4.85 2.15 0.38 -4.68 116.67 118.06 3c1e s ASP 40 Ca 0.17 -0.19 -0.07 0.00 0.43 0.00 0.00 52.55 52.89 3c1e s ASP 40 Cb 0.02 -0.19 -0.06 0.00 -0.30 0.00 0.00 42.92 42.39 3c1e s ASP 40 CO 0.01 -0.29 0.49 0.42 -0.17 0.00 0.00 175.17 175.63 3c1e s THR 41 N 2.15 5.04 0.69 1.71 -4.23 -1.26 -1.35 115.64 118.38 3c1e s THR 41 Ca 0.04 0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.60 3c1e s THR 41 Cb -0.14 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.07 3c1e s THR 41 CO -0.05 -0.09 1.21 -2.84 -0.54 0.00 0.00 174.62 172.30 3c1e s PRO 42 N -2.94 2.40 0.71 3.99 0.02 -1.26 -4.94 135.00 132.99 3c1e s PRO 42 Ca 0.44 1.78 -0.13 0.00 0.02 0.00 0.00 61.00 63.11 3c1e s PRO 42 Cb -0.11 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.57 3c1e s PRO 42 CO 0.24 -1.64 1.11 -1.21 -0.33 0.00 0.00 177.00 175.18 3c1e s GLU 43 N -3.75 2.50 0.39 5.54 0.41 -1.26 -4.46 118.70 118.07 3c1e s GLU 43 Ca 0.75 1.36 0.13 0.00 -0.41 0.00 0.00 54.97 56.81 3c1e s GLU 43 Cb -0.30 -1.91 0.95 0.00 -1.78 0.00 0.00 34.13 31.09 3c1e s GLU 43 CO 0.42 -1.48 1.87 0.35 -0.49 0.00 0.00 175.26 175.93 3c1e h PHE 50 N -0.43 0.67 0.00 1.61 3.57 -1.94 0.27 116.94 120.70 3c1e h PHE 50 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3c1e h PHE 50 Cb 1.25 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3c1e h PHE 50 CO 0.55 0.22 0.00 -2.95 -2.23 0.00 0.00 178.31 173.90 3c1e h ASN 51 N 0.54 0.00 -1.13 0.41 7.08 -1.92 -3.30 115.58 117.26 3c1e h ASN 51 Ca 0.44 0.00 -0.47 0.00 -3.08 0.00 0.00 56.30 53.20 3c1e h ASN 51 Cb 0.90 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 37.17 3c1e h ASN 51 CO -0.18 0.00 -0.12 -1.61 -2.08 0.00 0.00 177.43 173.43 3c1e s GLU 52 N -3.41 2.40 0.11 4.14 2.02 0.96 -5.01 118.70 119.92 3c1e s GLU 52 Ca 0.03 -1.47 -0.31 0.00 0.02 0.00 0.00 54.97 53.24 3c1e s GLU 52 Cb 0.09 -2.65 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 3c1e s GLU 52 CO 0.38 -0.75 1.51 0.21 0.02 0.00 0.00 175.26 176.63 3c1e s LYS 53 N -4.63 4.25 0.00 1.61 2.47 -1.26 -2.00 119.74 120.19 3c1e s LYS 53 Ca 0.60 2.22 0.00 0.00 -1.56 0.00 0.00 55.97 57.23 3c1e s LYS 53 Cb -0.07 -3.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 3c1e s LYS 53 CO 0.38 -0.57 0.00 0.66 0.16 0.00 0.00 175.35 175.97 3c1e n TYR 54 N 4.44 0.00 -0.00 4.03 4.01 -1.26 -4.73 117.16 123.65 3c1e n TYR 54 Ca 0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.75 3c1e n TYR 54 Cb 0.41 -0.78 -0.08 0.00 -0.31 0.00 0.00 39.34 38.57 3c1e n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3c1e h GLY 55 N 0.00 0.04 0.92 2.72 0.00 -1.55 0.78 103.07 105.98 3c1e h GLY 55 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.33 3c1e h GLY 55 CO 0.00 0.02 0.55 -2.55 0.00 0.00 0.00 176.54 174.56 3c1e h PRO 56 N -0.26 1.05 -0.56 4.80 0.11 -1.74 -0.47 132.00 134.92 3c1e h PRO 56 Ca 0.01 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3c1e h PRO 56 Cb 0.31 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3c1e h PRO 56 CO 0.00 0.70 -0.01 0.93 -0.21 0.00 0.00 178.00 179.41 3c1e h GLU 57 N 1.08 1.00 -0.39 1.05 3.07 -1.92 -0.52 114.58 117.96 3c1e h GLU 57 Ca 0.33 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3c1e h GLU 57 Cb -0.04 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3c1e h GLU 57 CO -0.10 1.00 0.21 0.00 -1.40 0.00 0.00 179.01 178.72 3c1e h ALA 58 N 0.96 0.49 -0.70 3.43 0.00 -0.63 -1.53 119.26 121.29 3c1e h ALA 58 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3c1e h ALA 58 Cb 0.56 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3c1e h ALA 58 CO 0.03 0.02 0.43 0.77 0.00 0.00 0.00 179.25 180.50 3c1e h SER 59 N 0.50 0.70 -0.43 0.00 0.02 -0.87 -2.26 113.55 111.20 3c1e h SER 59 Ca 0.14 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 3c1e h SER 59 Cb 0.05 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3c1e h SER 59 CO -0.02 0.48 -0.04 0.00 -1.14 0.00 0.00 176.83 176.11 3c1e h ALA 60 N 1.31 1.00 0.07 3.77 0.00 -0.95 -1.33 119.26 123.12 3c1e h ALA 60 Ca 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3c1e h ALA 60 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3c1e h ALA 60 CO -0.12 0.61 -0.03 0.35 0.00 0.00 0.00 179.25 180.05 3c1e h PHE 61 N 0.79 -0.09 -0.28 0.00 3.57 -0.94 -1.15 116.94 118.85 3c1e h PHE 61 Ca 0.14 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3c1e h PHE 61 Cb 0.53 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3c1e h PHE 61 CO 0.03 0.21 0.10 1.15 -2.23 0.00 0.00 178.31 177.57 3c1e h THR 62 N -0.39 1.19 -0.37 4.41 2.02 -1.42 -1.74 112.91 116.61 3c1e h THR 62 Ca -0.01 -0.59 0.08 0.00 0.77 0.00 0.00 66.41 66.66 3c1e h THR 62 Cb 0.33 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 3c1e h THR 62 CO 0.02 0.20 -0.16 0.50 0.37 0.00 0.00 175.52 176.44 3c1e h LYS 63 N 0.30 -0.09 -0.49 6.66 3.64 -1.21 -1.11 116.57 124.27 3c1e h LYS 63 Ca 0.09 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3c1e h LYS 63 Cb 0.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3c1e h LYS 63 CO -0.01 -0.06 0.02 -0.22 -2.27 0.00 0.00 179.45 176.91 3c1e h LYS 64 N -0.09 0.85 -0.55 1.90 3.64 -1.13 -0.50 116.57 120.68 3c1e h LYS 64 Ca 0.19 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3c1e h LYS 64 Cb 0.38 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3c1e h LYS 64 CO -0.44 0.88 0.34 1.98 -2.27 0.00 0.00 179.45 179.95 3c1e h MET 65 N 0.71 0.65 0.10 1.90 4.05 -0.93 -1.12 114.93 120.29 3c1e h MET 65 Ca 0.14 -0.04 -0.29 0.00 -0.28 0.00 0.00 59.70 59.23 3c1e h MET 65 Cb 0.49 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3c1e h MET 65 CO 0.02 0.43 -1.46 -0.39 0.23 0.00 0.00 176.91 175.74 3c1e h VAL 66 N 0.67 1.22 -0.28 -5.77 -1.51 -1.06 -3.17 116.25 106.35 3c1e h VAL 66 Ca 0.22 -2.88 -0.08 0.00 -1.23 0.00 0.00 66.70 62.73 3c1e h VAL 66 Cb 0.01 2.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.91 3c1e h VAL 66 CO -0.09 0.82 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.56 3c1e h GLU 67 N 0.06 0.49 0.00 5.19 5.08 -1.05 -3.02 114.58 121.33 3c1e h GLU 67 Ca -0.21 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3c1e h GLU 67 Cb 1.98 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.19 3c1e h GLU 67 CO 0.16 0.65 -0.13 0.09 -1.00 0.00 0.00 179.01 178.77 3c1e n ASN 68 N -4.17 0.65 -4.75 1.42 4.13 -0.43 -4.89 115.26 107.21 3c1e n ASN 68 Ca 0.00 0.45 -0.41 0.00 1.68 0.00 0.00 54.58 56.30 3c1e n ASN 68 Cb 0.36 -0.53 -0.04 0.00 -1.54 0.00 0.00 39.78 38.03 3c1e n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3c1e s ALA 69 N -3.09 3.44 0.09 5.41 0.00 -1.14 -4.93 121.76 121.53 3c1e s ALA 69 Ca 0.10 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 3c1e s ALA 69 Cb 0.14 -3.38 -0.21 0.00 0.00 0.00 0.00 23.12 19.67 3c1e s ALA 69 CO 0.61 -0.32 1.20 0.87 0.00 0.00 0.00 175.76 178.12 3c1e h LYS 70 N 4.18 0.53 -4.07 0.00 1.79 -1.90 -3.44 116.57 113.66 3c1e h LYS 70 Ca -0.46 -0.64 -0.52 0.00 -2.18 0.00 0.00 60.65 56.84 3c1e h LYS 70 Cb 1.21 0.20 -0.38 0.00 -1.58 0.00 0.00 32.23 31.69 3c1e h LYS 70 CO 0.69 1.26 -0.79 0.21 -1.08 0.00 0.00 179.45 179.74 3c1e s LYS 71 N -3.12 1.27 -0.13 3.15 2.20 -1.26 -5.02 119.74 116.83 3c1e s LYS 71 Ca -0.08 -0.27 -0.10 0.00 -0.36 0.00 0.00 55.97 55.16 3c1e s LYS 71 Cb 0.07 -1.63 -0.05 0.00 -1.51 0.00 0.00 37.83 34.72 3c1e s LYS 71 CO 0.90 -0.34 0.20 0.42 -0.36 0.00 0.00 175.35 176.17 3c1e s ILE 72 N 1.75 5.38 0.08 5.43 -1.09 -1.26 -0.86 121.20 130.63 3c1e s ILE 72 Ca 0.03 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 58.87 3c1e s ILE 72 Cb -0.14 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3c1e s ILE 72 CO -0.08 0.53 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.38 3c1e s GLU 73 N -0.42 0.96 -0.10 2.79 2.02 -0.73 -2.36 118.70 120.87 3c1e s GLU 73 Ca 0.15 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.16 3c1e s GLU 73 Cb -0.13 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 3c1e s GLU 73 CO 0.04 0.24 -0.19 0.08 0.02 0.00 0.00 175.26 175.46 3c1e s VAL 74 N -1.17 2.58 -0.22 2.63 1.01 0.59 -1.26 120.40 124.56 3c1e s VAL 74 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3c1e s VAL 74 Cb -0.10 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.32 3c1e s VAL 74 CO 0.03 0.55 -0.02 -0.70 0.00 0.00 0.00 175.10 174.96 3c1e s GLU 75 N 0.10 1.21 0.47 2.72 2.12 -0.08 -0.21 118.70 125.04 3c1e s GLU 75 Ca -0.09 -0.74 -0.20 0.00 0.36 0.00 0.00 54.97 54.31 3c1e s GLU 75 Cb -0.15 -2.37 -0.09 0.00 0.26 0.00 0.00 34.13 31.77 3c1e s GLU 75 CO 0.06 -0.61 0.98 -0.06 -0.54 0.00 0.00 175.26 175.09 3c1e s PHE 76 N 1.60 3.26 0.00 5.30 0.40 -1.26 -0.53 117.98 126.74 3c1e s PHE 76 Ca -0.04 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 3c1e s PHE 76 Cb -0.18 -2.89 0.00 0.00 0.51 0.00 0.00 43.02 40.46 3c1e s PHE 76 CO -0.07 -0.38 0.00 -3.47 0.70 0.00 0.00 175.22 172.00 3c1e n ASP 77 N -1.00 0.00 0.12 1.36 -0.08 -1.26 -4.63 116.55 111.06 3c1e n ASP 77 Ca 0.07 -0.89 0.13 0.00 -1.51 0.00 0.00 54.79 52.59 3c1e n ASP 77 Cb 0.54 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.38 3c1e n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3c1e h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.94 -3.46 116.57 112.06 3c1e h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3c1e h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3c1e h LYS 78 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3c1e n GLY 79 N 1.24 3.20 3.59 3.86 0.00 -0.85 -4.97 105.19 111.25 3c1e n GLY 79 Ca 0.05 -1.71 -0.48 0.00 0.00 0.00 0.00 46.02 43.88 3c1e n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3c1e n GLN 80 N 0.00 1.26 -0.00 1.61 -0.06 -1.26 -4.90 117.38 114.02 3c1e n GLN 80 Ca 0.00 0.45 0.07 0.00 -2.00 0.00 0.00 57.00 55.52 3c1e n GLN 80 Cb 0.00 -1.95 -0.10 0.00 -4.06 0.00 0.00 30.24 24.13 3c1e n GLN 80 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3c1e n ARG 81 N 1.69 1.36 -4.26 3.69 1.74 -1.26 -4.80 116.66 114.82 3c1e n ARG 81 Ca 0.14 -0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 3c1e n ARG 81 Cb 0.26 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 3c1e n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3c1e s THR 82 N -2.70 0.83 0.25 0.55 -4.23 -1.26 -0.64 115.64 108.44 3c1e s THR 82 Ca 0.01 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3c1e s THR 82 Cb 0.11 -0.77 0.05 0.00 1.34 0.00 0.00 72.50 73.22 3c1e s THR 82 CO 0.63 -0.05 0.34 -0.90 -0.54 0.00 0.00 174.62 174.10 3c1e n ASP 83 N 2.05 0.35 0.08 3.99 5.68 0.83 -4.91 116.55 124.62 3c1e n ASP 83 Ca -0.18 -1.32 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 3c1e n ASP 83 Cb 0.55 -0.23 0.41 0.00 -1.14 0.00 0.00 41.12 40.72 3c1e n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3c1e n LYS 84 N -1.65 0.12 -0.08 0.11 2.85 -1.26 -1.67 118.16 116.57 3c1e n LYS 84 Ca 0.05 0.38 0.12 0.00 -1.05 0.00 0.00 58.31 57.81 3c1e n LYS 84 Cb 0.19 -1.73 0.16 0.00 -0.65 0.00 0.00 35.03 33.00 3c1e n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3c1e n TYR 85 N -1.95 0.21 -0.88 5.58 4.02 -1.26 -4.93 117.16 117.95 3c1e n TYR 85 Ca 0.02 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3c1e n TYR 85 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3c1e n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3c1e n GLY 86 N 1.41 0.59 3.75 2.72 0.00 -0.67 -5.03 105.19 107.97 3c1e n GLY 86 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3c1e n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3c1e s ARG 87 N -0.12 4.78 0.44 1.61 0.52 -1.26 -4.76 118.95 120.16 3c1e s ARG 87 Ca 0.00 1.59 -0.25 0.00 -0.52 0.00 0.00 55.73 56.56 3c1e s ARG 87 Cb 0.00 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 32.14 3c1e s ARG 87 CO 0.00 0.40 1.26 0.20 0.02 0.00 0.00 175.30 177.18 3c1e s GLY 88 N -1.00 2.88 -0.26 -3.53 0.00 0.44 -0.12 107.32 105.73 3c1e s GLY 88 Ca 0.43 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.30 3c1e s GLY 88 CO 0.35 1.69 -0.08 1.08 0.00 0.00 0.00 173.10 176.14 3c1e s LEU 89 N -2.72 3.35 0.17 0.66 1.43 0.19 0.06 118.68 121.83 3c1e s LEU 89 Ca 0.60 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 3c1e s LEU 89 Cb -0.35 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3c1e s LEU 89 CO 0.44 -0.17 0.45 0.00 0.23 0.00 0.00 176.35 177.30 3c1e s ALA 90 N 1.22 -0.75 -0.05 4.21 0.00 -1.17 -4.50 121.76 120.73 3c1e s ALA 90 Ca -0.04 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 3c1e s ALA 90 Cb -0.18 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 3c1e s ALA 90 CO -0.05 -0.73 0.63 0.71 0.00 0.00 0.00 175.76 176.32 3c1e s TYR 91 N -3.88 3.60 -0.11 0.00 2.02 0.31 -1.78 117.35 117.51 3c1e s TYR 91 Ca 0.09 1.18 -0.00 0.00 -0.37 0.00 0.00 57.07 57.97 3c1e s TYR 91 Cb 0.01 -2.71 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 3c1e s TYR 91 CO -0.04 0.18 -0.10 0.42 -1.57 0.00 0.00 175.55 174.44 3c1e s ILE 92 N 0.46 3.36 0.00 2.71 -1.09 -1.26 -0.90 121.20 124.49 3c1e s ILE 92 Ca 0.34 -0.57 0.08 0.00 -2.23 0.00 0.00 60.65 58.26 3c1e s ILE 92 Cb -0.17 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 3c1e s ILE 92 CO 0.17 0.54 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.87 3c1e s TYR 93 N -0.07 2.38 -0.22 3.97 2.02 -0.39 -0.25 117.35 124.78 3c1e s TYR 93 Ca -0.01 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3c1e s TYR 93 Cb -0.14 -1.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.99 3c1e s TYR 93 CO 0.03 0.05 -0.12 0.00 -1.57 0.00 0.00 175.55 173.94 3c1e s ALA 94 N -0.70 2.24 -1.50 3.71 0.00 0.21 -1.78 121.76 123.94 3c1e s ALA 94 Ca 0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 3c1e s ALA 94 Cb -0.10 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.69 3c1e s ALA 94 CO 0.00 -0.88 0.50 -0.25 0.00 0.00 0.00 175.76 175.13 3c1e n ASP 95 N 4.59 -1.10 0.00 0.00 8.00 -0.03 -1.36 116.55 126.64 3c1e n ASP 95 Ca -0.15 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3c1e n ASP 95 Cb 0.46 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 3c1e n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c1e n GLY 96 N -1.87 1.62 3.68 0.44 0.00 -1.26 -5.02 105.19 102.78 3c1e n GLY 96 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3c1e n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c1e s LYS 97 N -0.10 3.81 -0.21 1.61 1.02 -0.47 -5.04 119.74 120.36 3c1e s LYS 97 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 3c1e s LYS 97 Cb 0.00 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 3c1e s LYS 97 CO 0.00 0.40 1.10 1.41 -0.92 0.00 0.00 175.35 177.33 3c1e s MET 98 N 0.02 4.25 0.16 1.68 1.75 -1.26 0.64 119.30 126.54 3c1e s MET 98 Ca 0.06 1.44 -0.16 0.00 -1.25 0.00 0.00 55.69 55.78 3c1e s MET 98 Cb -0.12 -3.67 0.05 0.00 2.84 0.00 0.00 34.83 33.93 3c1e s MET 98 CO 0.01 -0.65 1.78 0.28 -0.65 0.00 0.00 175.02 175.79 3c1e h VAL 99 N 5.46 0.99 -0.19 10.11 2.07 -0.98 -2.03 116.25 131.68 3c1e h VAL 99 Ca -0.21 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3c1e h VAL 99 Cb 1.07 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3c1e h VAL 99 CO 0.98 0.08 -0.18 0.78 0.02 0.00 0.00 177.57 179.24 3c1e h ASN 100 N 0.41 -0.58 -0.42 0.57 4.21 -1.92 -1.33 115.58 116.52 3c1e h ASN 100 Ca 0.16 0.11 -0.08 0.00 1.21 0.00 0.00 56.30 57.71 3c1e h ASN 100 Cb 0.06 0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 3c1e h ASN 100 CO -0.11 -0.23 -0.03 -0.08 -1.29 0.00 0.00 177.43 175.69 3c1e h GLU 101 N -0.20 0.76 -0.43 0.81 4.81 -1.90 -2.91 114.58 115.51 3c1e h GLU 101 Ca 0.12 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3c1e h GLU 101 Cb 0.38 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 3c1e h GLU 101 CO -0.31 0.86 0.15 0.00 -0.73 0.00 0.00 179.01 178.97 3c1e h ALA 102 N 0.88 0.51 -0.48 2.92 0.00 -1.01 0.13 119.26 122.22 3c1e h ALA 102 Ca 0.11 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3c1e h ALA 102 Cb 0.53 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3c1e h ALA 102 CO 0.03 -0.24 0.15 -0.07 0.00 0.00 0.00 179.25 179.12 3c1e h LEU 103 N 0.31 0.13 -0.42 0.00 3.38 -1.21 -1.07 115.31 116.43 3c1e h LEU 103 Ca 0.20 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3c1e h LEU 103 Cb 0.19 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3c1e h LEU 103 CO -0.21 0.10 0.17 0.58 0.09 0.00 0.00 178.44 179.17 3c1e h VAL 104 N 0.31 1.20 -0.28 1.22 2.07 -1.23 0.05 116.25 119.60 3c1e h VAL 104 Ca 0.23 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3c1e h VAL 104 Cb 0.26 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3c1e h VAL 104 CO -0.25 0.23 0.14 -0.09 0.02 0.00 0.00 177.57 177.62 3c1e h ARG 105 N 0.54 0.38 -0.18 1.57 9.65 -0.39 -0.73 114.38 125.22 3c1e h ARG 105 Ca 0.14 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3c1e h ARG 105 Cb 0.19 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3c1e h ARG 105 CO -0.01 0.29 0.00 1.04 2.80 0.00 0.00 179.97 184.09 3c1e n GLN 106 N -4.45 1.71 -2.10 0.20 1.13 -0.44 -4.23 117.38 109.20 3c1e n GLN 106 Ca 0.01 -1.07 -0.13 0.00 -1.94 0.00 0.00 57.00 53.87 3c1e n GLN 106 Cb 0.10 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 3c1e n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3c1e n GLY 107 N 1.11 0.10 0.60 1.08 0.00 -0.28 -4.48 105.19 103.32 3c1e n GLY 107 Ca 0.16 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.90 3c1e n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c1e n LEU 108 N -1.82 2.41 -3.70 0.99 4.77 -0.03 -1.93 117.00 117.69 3c1e n LEU 108 Ca -0.15 -1.31 -0.14 0.00 -0.03 0.00 0.00 56.01 54.39 3c1e n LEU 108 Cb 0.59 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3c1e n LEU 108 CO 0.18 0.51 0.11 0.00 -1.33 0.00 0.00 177.39 176.87 3c1e s ALA 109 N -1.07 -0.96 0.04 -1.18 0.00 -1.13 -4.34 121.76 113.11 3c1e s ALA 109 Ca 0.19 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3c1e s ALA 109 Cb 0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3c1e s ALA 109 CO 0.17 -0.34 0.04 0.15 0.00 0.00 0.00 175.76 175.78 3c1e s LYS 110 N -1.75 2.82 0.27 0.00 1.02 -0.46 -4.32 119.74 117.32 3c1e s LYS 110 Ca -0.10 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 3c1e s LYS 110 Cb -0.03 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.48 3c1e s LYS 110 CO 0.02 0.60 1.49 0.08 -0.92 0.00 0.00 175.35 176.62 3c1e s VAL 111 N -1.23 2.45 0.01 3.17 1.01 -1.26 -0.47 120.40 124.08 3c1e s VAL 111 Ca 0.24 0.38 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 3c1e s VAL 111 Cb -0.12 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.12 3c1e s VAL 111 CO 0.15 0.06 0.86 0.00 0.00 0.00 0.00 175.10 176.18 3c1e s ALA 112 N -0.08 -1.81 -1.22 5.51 0.00 -0.49 -4.81 121.76 118.87 3c1e s ALA 112 Ca 0.60 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 53.54 3c1e s ALA 112 Cb -0.44 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3c1e s ALA 112 CO 0.46 -0.69 0.96 0.66 0.00 0.00 0.00 175.76 177.15 3c1e n TYR 113 N -0.23 -2.17 -3.06 0.00 4.01 -1.26 -3.26 117.16 111.19 3c1e n TYR 113 Ca -0.10 0.93 -0.45 0.00 -0.16 0.00 0.00 57.90 58.13 3c1e n TYR 113 Cb 0.62 -4.98 -0.04 0.00 -0.31 0.00 0.00 39.34 34.64 3c1e n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3c1e s VAL 114 N -3.41 4.81 -0.09 -0.72 1.01 -1.26 -4.37 120.40 116.37 3c1e s VAL 114 Ca 0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 3c1e s VAL 114 Cb -0.01 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 3c1e s VAL 114 CO 0.74 -1.24 0.13 -0.31 0.00 0.00 0.00 175.10 174.42 3c1e s TYR 115 N 2.62 3.52 0.30 5.22 2.02 -1.26 -5.06 117.35 124.71 3c1e s TYR 115 Ca 0.18 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 57.03 3c1e s TYR 115 Cb -0.18 -1.89 -0.13 0.00 -0.40 0.00 0.00 41.96 39.36 3c1e s TYR 115 CO 0.02 0.68 1.26 1.17 -1.57 0.00 0.00 175.55 177.12 3c1e n LYS 116 N 1.79 1.94 0.00 -0.62 4.81 -1.26 -2.33 118.16 122.48 3c1e n LYS 116 Ca -0.18 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3c1e n LYS 116 Cb 0.54 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3c1e n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3c1e n GLY 117 N 1.23 3.11 2.54 3.14 0.00 -1.26 -4.82 105.19 109.13 3c1e n GLY 117 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3c1e n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3c1e n ASN 118 N 0.11 4.54 -0.99 1.61 3.02 -0.98 -2.01 115.26 120.56 3c1e n ASN 118 Ca 0.00 -3.68 0.03 0.00 -0.03 0.00 0.00 54.58 50.91 3c1e n ASN 118 Cb 0.00 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.74 3c1e n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3c1e n ASN 119 N -0.43 0.87 -0.31 6.41 6.94 -1.25 -4.58 115.26 122.90 3c1e n ASN 119 Ca 0.37 -2.30 0.07 0.00 -0.02 0.00 0.00 54.58 52.70 3c1e n ASN 119 Cb 0.63 -0.31 0.22 0.00 -2.36 0.00 0.00 39.78 37.97 3c1e n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3c1e h THR 120 N 5.80 0.81 -0.52 5.53 2.02 -1.94 -1.52 112.91 123.09 3c1e h THR 120 Ca -0.12 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3c1e h THR 120 Cb 1.58 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3c1e h THR 120 CO 0.05 0.14 0.00 1.41 0.37 0.00 0.00 175.52 177.49 3c1e n HIS 121 N -4.77 1.38 -0.12 3.16 8.25 -1.26 -4.55 115.22 117.30 3c1e n HIS 121 Ca 0.17 -0.52 -0.04 0.00 -0.26 0.00 0.00 57.72 57.06 3c1e n HIS 121 Cb 0.39 -0.28 0.03 0.00 1.12 0.00 0.00 29.99 31.26 3c1e n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3c1e h GLU 122 N 3.38 0.17 -0.24 -0.41 4.81 -1.65 -2.26 114.58 118.38 3c1e h GLU 122 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3c1e h GLU 122 Cb 1.38 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 3c1e h GLU 122 CO 0.25 0.11 -0.39 1.96 -0.73 0.00 0.00 179.01 180.21 3c1e h GLN 123 N 0.17 0.56 -0.45 1.92 1.08 -1.82 0.04 115.11 116.61 3c1e h GLN 123 Ca 0.20 -0.28 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 3c1e h GLN 123 Cb 0.26 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 3c1e h GLN 123 CO -0.29 0.86 0.19 1.25 -0.95 0.00 0.00 178.83 179.89 3c1e h LEU 124 N 0.46 0.23 -0.31 1.46 5.85 -1.85 -1.78 115.31 119.38 3c1e h LEU 124 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3c1e h LEU 124 Cb 0.89 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3c1e h LEU 124 CO 0.08 0.17 0.13 0.11 -0.34 0.00 0.00 178.44 178.59 3c1e h LYS 125 N 0.37 0.45 -0.29 1.25 1.79 -0.86 -2.45 116.57 116.84 3c1e h LYS 125 Ca 0.20 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 3c1e h LYS 125 Cb 0.17 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3c1e h LYS 125 CO -0.18 0.45 0.04 0.00 -1.08 0.00 0.00 179.45 178.67 3c1e h ARG 126 N 0.35 0.42 -0.39 3.15 3.08 -0.80 -0.67 114.38 119.52 3c1e h ARG 126 Ca 0.10 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3c1e h ARG 126 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3c1e h ARG 126 CO -0.01 0.41 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.93 3c1e h LYS 127 N 0.41 0.80 -0.78 0.04 1.63 -1.19 -1.95 116.57 115.53 3c1e h LYS 127 Ca 0.10 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.52 3c1e h LYS 127 Cb 0.21 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 3c1e h LYS 127 CO 0.00 0.95 0.30 0.00 -3.45 0.00 0.00 179.45 177.25 3c1e h ALA 128 N 0.82 1.05 -0.55 5.00 0.00 -0.93 -1.99 119.26 122.66 3c1e h ALA 128 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3c1e h ALA 128 Cb 0.69 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3c1e h ALA 128 CO 0.05 0.66 0.14 1.49 0.00 0.00 0.00 179.25 181.59 3c1e h GLU 129 N 1.14 0.89 -0.69 0.00 4.81 -0.96 -0.56 114.58 119.21 3c1e h GLU 129 Ca 0.26 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3c1e h GLU 129 Cb 0.23 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3c1e h GLU 129 CO -0.02 0.83 0.45 0.00 -0.73 0.00 0.00 179.01 179.54 3c1e h ALA 130 N 1.02 0.89 -0.35 2.92 0.00 -1.01 0.30 119.26 123.04 3c1e h ALA 130 Ca 0.17 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3c1e h ALA 130 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3c1e h ALA 130 CO 0.00 0.28 -0.31 0.37 0.00 0.00 0.00 179.25 179.59 3c1e h GLN 131 N 0.92 0.82 -0.86 0.00 5.75 -1.17 0.20 115.11 120.76 3c1e h GLN 131 Ca 0.26 -0.42 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3c1e h GLN 131 Cb -0.07 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 3c1e h GLN 131 CO -0.07 1.05 0.57 0.00 -2.65 0.00 0.00 178.83 177.73 3c1e h ALA 132 N 0.75 1.45 -0.28 3.38 0.00 -0.71 -0.99 119.26 122.86 3c1e h ALA 132 Ca 0.06 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3c1e h ALA 132 Cb 0.88 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3c1e h ALA 132 CO 0.08 0.47 -0.35 -0.22 0.00 0.00 0.00 179.25 179.23 3c1e h LYS 133 N 1.09 0.74 -0.99 0.00 3.64 -0.13 -1.27 116.57 119.65 3c1e h LYS 133 Ca 0.34 -0.41 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3c1e h LYS 133 Cb -0.01 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 3c1e h LYS 133 CO -0.09 1.04 0.65 0.87 -2.27 0.00 0.00 179.45 179.65 3c1e h LYS 134 N 0.48 1.23 -0.01 1.90 1.57 -0.26 -1.16 116.57 120.34 3c1e h LYS 134 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3c1e h LYS 134 Cb 0.93 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3c1e h LYS 134 CO 0.08 0.82 0.00 0.39 -0.57 0.00 0.00 179.45 180.17 3c1e n GLU 135 N -4.43 1.07 -3.95 3.15 1.02 -0.41 -4.94 120.64 112.16 3c1e n GLU 135 Ca 0.13 -0.10 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 3c1e n GLU 135 Cb 0.08 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 3c1e n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3c1e n LYS 136 N -0.83 -4.63 -2.92 3.49 4.76 -0.44 -4.93 118.16 112.65 3c1e n LYS 136 Ca 0.21 0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 55.78 3c1e n LYS 136 Cb 0.12 -5.22 -0.04 0.00 -1.84 0.00 0.00 35.03 28.05 3c1e n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3c1e s LEU 137 N -7.13 4.34 0.00 -0.35 1.43 -0.53 -3.12 118.68 113.32 3c1e s LEU 137 Ca 0.47 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3c1e s LEU 137 Cb -0.24 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.71 3c1e s LEU 137 CO 0.86 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.86 3c1e n ASN 138 N 3.81 0.00 -0.18 2.29 3.02 -1.26 -0.84 115.26 122.09 3c1e n ASN 138 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.70 3c1e n ASN 138 Cb 0.51 0.00 0.46 0.00 -0.61 0.00 0.00 39.78 40.14 3c1e n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3c1e h ILE 139 N 0.00 0.83 -0.36 2.41 2.04 -1.70 -1.51 117.51 119.22 3c1e h ILE 139 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3c1e h ILE 139 Cb 0.00 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3c1e h ILE 139 CO 0.00 0.09 0.00 0.79 0.00 0.00 0.00 178.15 179.03 3c1e n TRP 140 N -4.50 0.48 1.52 1.37 7.02 -0.02 -3.89 117.44 119.42 3c1e n TRP 140 Ca 0.14 -0.24 0.14 0.00 -1.02 0.00 0.00 57.50 56.53 3c1e n TRP 140 Cb 0.48 0.00 0.62 0.00 -2.42 0.00 0.00 31.31 29.99 3c1e n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3c1e n SER 141 N 0.60 0.76 0.00 -0.99 3.41 -0.57 -4.43 113.62 112.39 3c1e n SER 141 Ca 0.13 -0.97 0.10 0.00 -0.26 0.00 0.00 58.87 57.88 3c1e n SER 141 Cb 0.33 -0.01 0.58 0.00 -0.26 0.00 0.00 64.21 64.84 3c1e n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26