#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo s SER 0 N 0.00 1.97 -1.50 1.61 0.15 -0.24 -3.72 113.70 111.97 2wgo s SER 0 Ca 0.00 1.86 -0.09 0.00 0.70 0.00 0.00 55.95 58.42 2wgo s SER 0 Cb 0.00 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2wgo s SER 0 CO 0.00 -3.64 2.64 0.18 1.20 0.00 0.00 173.24 173.62 2wgo n LEU 1 N -4.57 8.20 -0.94 3.45 4.77 -1.26 -2.06 117.00 124.59 2wgo n LEU 1 Ca 0.07 -4.51 -0.06 0.00 -0.03 0.00 0.00 56.01 51.48 2wgo n LEU 1 Cb 0.53 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 2wgo n LEU 1 CO 0.53 1.91 0.33 0.00 -1.33 0.00 0.00 177.39 178.83 2wgo n ILE 2 N 3.22 0.00 -2.35 -0.08 3.06 -1.26 -4.97 119.36 116.98 2wgo n ILE 2 Ca 0.68 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.52 2wgo n ILE 2 Cb 0.26 0.44 -0.03 0.00 0.54 0.00 0.00 39.64 40.85 2wgo n ILE 2 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 2wgo s LEU 3 N 0.00 4.45 -0.02 9.51 -0.00 -0.88 -4.70 118.68 127.04 2wgo s LEU 3 Ca 0.00 2.27 0.20 0.00 -0.00 0.00 0.00 54.13 56.61 2wgo s LEU 3 Cb 0.00 -3.61 -0.30 0.00 -0.00 0.00 0.00 46.19 42.28 2wgo s LEU 3 CO 0.00 -0.38 0.50 -0.67 -0.00 0.00 0.00 176.35 175.80 2wgo n ASP 4 N 2.38 0.42 0.00 1.48 -0.08 -1.16 -4.95 116.55 114.63 2wgo n ASP 4 Ca 0.04 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2wgo n ASP 4 Cb 0.44 1.80 0.00 0.00 2.34 0.00 0.00 41.12 45.70 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 5 N 1.36 0.12 2.32 0.27 0.00 -1.26 -4.78 105.19 103.22 2wgo n GLY 5 Ca -0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2wgo n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 6 N 0.00 -4.28 -3.99 1.61 10.43 -1.26 -4.82 116.55 114.25 2wgo n ASP 6 Ca 0.00 0.23 -0.08 0.00 2.57 0.00 0.00 54.79 57.51 2wgo n ASP 6 Cb 0.00 -2.95 -0.09 0.00 1.84 0.00 0.00 41.12 39.92 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wgo s LEU 7 N -2.81 2.03 0.02 0.64 1.43 -1.25 -4.50 118.68 114.24 2wgo s LEU 7 Ca 0.00 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 2wgo s LEU 7 Cb 0.00 0.56 -0.00 0.00 0.03 0.00 0.00 46.19 46.77 2wgo s LEU 7 CO 0.00 -0.65 -0.02 0.18 0.23 0.00 0.00 176.35 176.09 2wgo n LEU 8 N 0.08 0.43 -0.80 1.79 7.99 -1.26 -3.01 117.00 122.23 2wgo n LEU 8 Ca -0.15 0.06 -0.10 0.00 -0.01 0.00 0.00 56.01 55.81 2wgo n LEU 8 Cb 0.61 -0.19 -0.04 0.00 -0.11 0.00 0.00 43.42 43.69 2wgo n LEU 8 CO 0.25 -0.56 -0.10 0.29 -1.51 0.00 0.00 177.39 175.76 2wgo n LYS 9 N -2.90 -1.13 -2.92 3.23 5.02 -1.26 -4.88 118.16 113.32 2wgo n LYS 9 Ca -0.01 0.82 -0.14 0.00 -2.02 0.00 0.00 58.31 56.96 2wgo n LYS 9 Cb 0.03 -4.92 0.01 0.00 -0.02 0.00 0.00 35.03 30.12 2wgo n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 10 N -0.46 -1.66 -0.17 4.39 4.64 -1.26 -5.03 116.55 117.00 2wgo n ASP 10 Ca -0.10 -3.09 -0.03 0.00 -1.38 0.00 0.00 54.79 50.19 2wgo n ASP 10 Cb 0.44 0.87 0.04 0.00 -1.04 0.00 0.00 41.12 41.43 2wgo n ASP 10 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 2wgo h LYS 11 N 3.94 -0.03 -2.38 -0.67 2.10 -1.91 -3.43 116.57 114.20 2wgo h LYS 11 Ca -0.06 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.52 2wgo h LYS 11 Cb 0.98 0.01 -0.27 0.00 -0.90 0.00 0.00 32.23 32.05 2wgo h LYS 11 CO 0.37 -0.02 -0.35 -1.17 -2.00 0.00 0.00 179.45 176.29 2wgo s LEU 12 N -10.75 -0.72 0.00 7.07 2.96 -1.26 -2.88 118.68 113.10 2wgo s LEU 12 Ca -0.14 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2wgo s LEU 12 Cb 0.17 1.46 0.00 0.00 0.50 0.00 0.00 46.19 48.32 2wgo s LEU 12 CO 0.72 -0.24 0.00 1.17 -1.32 0.00 0.00 176.35 176.68 2wgo n LYS 13 N 5.40 0.00 -4.34 1.98 3.00 -1.26 -5.08 118.16 117.86 2wgo n LYS 13 Ca -0.08 0.09 -0.20 0.00 -0.00 0.00 0.00 58.31 58.12 2wgo n LYS 13 Cb 0.49 -0.49 -0.09 0.00 0.00 0.00 0.00 35.03 34.95 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wgo s LEU 14 N -2.27 1.72 0.00 3.14 1.43 -1.26 -5.17 118.68 116.27 2wgo s LEU 14 Ca 0.00 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 2wgo s LEU 14 Cb 0.00 0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.52 2wgo s LEU 14 CO 0.00 -0.96 0.00 -2.65 0.23 0.00 0.00 176.35 172.97 2wgo n PRO 15 N -0.63 2.37 -1.68 1.29 -0.02 -1.26 -4.51 135.00 130.56 2wgo n PRO 15 Ca 0.02 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.02 2wgo n PRO 15 Cb 0.64 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.07 2wgo n PRO 15 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wgo n VAL 16 N 0.00 0.42 -3.51 -1.45 3.14 -1.25 -4.61 118.33 111.07 2wgo n VAL 16 Ca 0.00 -0.08 -0.08 0.00 -2.96 0.00 0.00 64.34 61.22 2wgo n VAL 16 Cb 0.00 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.03 2wgo n VAL 16 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2wgo n ILE 17 N 4.67 0.00 -1.64 1.55 -5.35 0.16 -4.94 119.36 113.81 2wgo n ILE 17 Ca 0.21 -0.72 -0.46 0.00 -0.27 0.00 0.00 62.75 61.52 2wgo n ILE 17 Cb 0.28 -0.43 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 2wgo n ILE 17 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2wgo n ASP 18 N -2.10 2.36 0.25 7.28 8.00 -1.26 -4.31 116.55 126.76 2wgo n ASP 18 Ca 0.00 1.14 0.14 0.00 0.71 0.00 0.00 54.79 56.78 2wgo n ASP 18 Cb 0.21 -1.36 0.50 0.00 -0.02 0.00 0.00 41.12 40.45 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wgo h ASN 19 N 4.12 0.00 -0.03 -2.24 7.08 -1.95 -1.83 115.58 120.73 2wgo h ASN 19 Ca -0.45 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.52 2wgo h ASN 19 Cb 1.29 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 37.55 2wgo h ASN 19 CO 0.75 0.07 -0.98 0.25 -2.08 0.00 0.00 177.43 175.44 2wgo h LEU 20 N 0.00 0.91 -0.27 6.14 5.85 -1.96 0.20 115.31 126.17 2wgo h LEU 20 Ca -0.00 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 2wgo h LEU 20 Cb 0.70 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2wgo h LEU 20 CO 0.01 1.50 0.15 0.15 -0.34 0.00 0.00 178.44 179.91 2wgo h PHE 21 N 0.40 0.37 -0.55 1.25 3.57 -1.86 0.15 116.94 120.27 2wgo h PHE 21 Ca -0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2wgo h PHE 21 Cb 1.63 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 2wgo h PHE 21 CO 0.10 0.30 0.25 0.78 -2.23 0.00 0.00 178.31 177.52 2wgo h GLY 22 N 0.32 0.86 0.85 2.40 0.00 -1.37 -2.55 103.07 103.58 2wgo h GLY 22 Ca 0.09 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.08 2wgo h GLY 22 CO -0.02 0.42 0.52 1.70 0.00 0.00 0.00 176.54 179.16 2wgo h LYS 23 N 0.74 0.74 0.10 4.80 1.63 -0.07 0.45 116.57 124.96 2wgo h LYS 23 Ca 0.19 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 2wgo h LYS 23 Cb 0.14 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2wgo h LYS 23 CO -0.02 0.49 -0.23 0.93 -3.45 0.00 0.00 179.45 177.17 2wgo h GLU 24 N 0.76 -0.40 -0.05 1.90 4.39 -0.31 0.28 114.58 121.15 2wgo h GLU 24 Ca 0.36 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.12 2wgo h GLU 24 Cb 0.41 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 2wgo h GLU 24 CO -0.14 -0.26 -0.50 -0.07 -1.16 0.00 0.00 179.01 176.88 2wgo h LEU 25 N -0.41 -1.55 -0.79 1.33 4.07 -0.69 0.06 115.31 117.32 2wgo h LEU 25 Ca 0.03 0.18 0.01 0.00 0.08 0.00 0.00 57.88 58.19 2wgo h LEU 25 Cb 0.44 0.60 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 2wgo h LEU 25 CO -0.14 -0.49 0.52 -0.07 -1.08 0.00 0.00 178.44 177.18 2wgo h LEU 26 N -0.61 0.90 -1.49 1.67 4.07 -0.94 -0.75 115.31 118.16 2wgo h LEU 26 Ca 0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 2wgo h LEU 26 Cb 0.69 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2wgo h LEU 26 CO -0.38 0.65 0.09 -0.78 -1.08 0.00 0.00 178.44 176.94 2wgo h ASP 27 N 1.06 0.39 -0.00 -0.43 3.58 -0.19 0.16 116.42 120.99 2wgo h ASP 27 Ca 0.29 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2wgo h ASP 27 Cb -0.11 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 2wgo h ASP 27 CO -0.07 0.38 0.00 0.11 -2.88 0.00 0.00 179.24 176.78 2wgo h LYS 28 N 0.43 0.00 -0.67 0.28 1.57 0.50 -3.19 116.57 115.49 2wgo h LYS 28 Ca 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2wgo h LYS 28 Cb 0.14 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wgo h LYS 28 CO -0.01 0.23 0.00 1.19 -0.57 0.00 0.00 179.45 180.30 2wgo n PHE 29 N -4.98 1.18 0.13 -1.35 3.01 -0.89 -4.47 117.46 110.10 2wgo n PHE 29 Ca -0.08 -0.52 0.06 0.00 1.01 0.00 0.00 57.45 57.93 2wgo n PHE 29 Cb 0.13 -0.12 0.54 0.00 -0.01 0.00 0.00 39.48 40.02 2wgo n PHE 29 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2wgo h GLN 30 N 3.96 0.25 -0.11 -1.08 3.07 -0.68 0.36 115.11 120.89 2wgo h GLN 30 Ca 0.00 -0.02 -0.16 0.00 0.09 0.00 0.00 58.65 58.56 2wgo h GLN 30 Cb 1.16 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 2wgo h GLN 30 CO 0.12 0.17 -0.62 0.22 0.09 0.00 0.00 178.83 178.80 2wgo h ASP 31 N 0.26 0.44 -0.21 0.06 3.58 -1.82 0.39 116.42 119.12 2wgo h ASP 31 Ca 0.08 -0.26 -0.20 0.00 0.42 0.00 0.00 57.03 57.07 2wgo h ASP 31 Cb -0.01 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2wgo h ASP 31 CO -0.02 0.95 -0.64 -0.78 -2.88 0.00 0.00 179.24 175.88 2wgo h ASP 32 N 0.28 0.95 -0.61 2.28 3.58 -1.39 0.11 116.42 121.62 2wgo h ASP 32 Ca -0.01 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.88 2wgo h ASP 32 Cb 1.16 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 2wgo h ASP 32 CO 0.11 1.35 0.34 0.40 -2.88 0.00 0.00 179.24 178.56 2wgo h ILE 33 N 0.61 1.19 0.00 2.25 2.04 -0.13 -0.59 117.51 122.89 2wgo h ILE 33 Ca -0.01 -0.47 -0.22 0.00 1.00 0.00 0.00 64.86 65.15 2wgo h ILE 33 Cb 1.26 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2wgo h ILE 33 CO 0.14 0.21 -1.15 0.50 0.00 0.00 0.00 178.15 177.84 2wgo h LYS 34 N 0.82 0.00 0.40 2.37 3.64 -0.16 0.21 116.57 123.86 2wgo h LYS 34 Ca 0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2wgo h LYS 34 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2wgo h LYS 34 CO -0.04 0.85 -0.19 0.22 -2.27 0.00 0.00 179.45 178.02 2wgo h ASP 35 N 0.00 -0.46 0.15 4.20 3.58 -0.71 -1.82 116.42 121.37 2wgo h ASP 35 Ca -0.08 -0.12 -0.22 0.00 0.42 0.00 0.00 57.03 57.03 2wgo h ASP 35 Cb 1.81 0.12 0.03 0.00 1.72 0.00 0.00 39.33 43.00 2wgo h ASP 35 CO 0.11 -0.10 -0.96 0.11 -2.88 0.00 0.00 179.24 175.53 2wgo h LYS 36 N -0.86 0.38 0.00 0.28 1.57 -1.16 -3.38 116.57 113.39 2wgo h LYS 36 Ca -0.06 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2wgo h LYS 36 Cb 0.55 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2wgo h LYS 36 CO 0.09 1.28 -0.50 0.66 -0.57 0.00 0.00 179.45 180.41 2wgo n TYR 37 N -4.03 0.00 -3.08 -1.35 4.01 0.66 -5.01 117.16 108.36 2wgo n TYR 37 Ca -0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 2wgo n TYR 37 Cb 0.88 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.95 2wgo n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgo n GLY 38 N 1.25 0.10 3.34 2.72 0.00 -0.64 -4.93 105.19 107.03 2wgo n GLY 38 Ca 0.02 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2wgo n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgo s VAL 39 N -3.18 2.36 -0.31 1.61 1.01 -1.19 -4.92 120.40 115.78 2wgo s VAL 39 Ca 0.29 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2wgo s VAL 39 Cb -0.13 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2wgo s VAL 39 CO 0.41 0.58 0.16 -0.62 0.00 0.00 0.00 175.10 175.63 2wgo s ASP 40 N -0.44 5.63 0.03 3.32 -1.08 -1.26 -3.16 116.67 119.70 2wgo s ASP 40 Ca 0.05 -0.45 0.16 0.00 -0.52 0.00 0.00 52.55 51.79 2wgo s ASP 40 Cb -0.12 -2.03 0.68 0.00 -1.46 0.00 0.00 42.92 40.00 2wgo s ASP 40 CO 0.01 -0.18 1.51 0.35 0.52 0.00 0.00 175.17 177.38 2wgo n THR 41 N 5.00 0.94 0.23 1.71 -2.24 -1.26 -1.94 114.28 116.72 2wgo n THR 41 Ca -0.14 0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 2wgo n THR 41 Cb 0.50 -1.00 0.49 0.00 -2.10 0.00 0.00 70.33 68.22 2wgo n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wgo h LYS 42 N 0.00 0.00 0.01 -0.78 1.79 -1.97 -3.15 116.57 112.47 2wgo h LYS 42 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 2wgo h LYS 42 Cb 0.27 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 2wgo h LYS 42 CO 0.00 0.17 -1.91 -3.47 -1.08 0.00 0.00 179.45 173.16 2wgo n ASP 43 N -3.30 0.83 -4.69 0.86 2.03 -0.82 -4.91 116.55 106.55 2wgo n ASP 43 Ca 0.00 0.29 -0.43 0.00 0.52 0.00 0.00 54.79 55.17 2wgo n ASP 43 Cb 0.41 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 2wgo n ASP 43 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wgo n LEU 44 N -3.03 3.80 -4.47 -2.67 4.77 -1.19 -4.85 117.00 109.35 2wgo n LEU 44 Ca -0.23 1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 56.34 2wgo n LEU 44 Cb 1.07 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 2wgo n LEU 44 CO 0.44 0.07 0.42 -0.75 -1.33 0.00 0.00 177.39 176.24 2wgo s LYS 45 N 2.09 3.18 -0.45 3.23 2.20 -0.53 -4.91 119.74 124.56 2wgo s LYS 45 Ca 0.80 -0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 55.43 2wgo s LYS 45 Cb -0.54 -4.07 -0.00 0.00 -1.51 0.00 0.00 37.83 31.70 2wgo s LYS 45 CO 0.37 -1.25 1.57 0.42 -0.36 0.00 0.00 175.35 176.11 2wgo s ILE 46 N 2.91 3.69 -0.14 5.43 1.01 -1.26 0.18 121.20 133.03 2wgo s ILE 46 Ca 0.19 0.65 -0.28 0.00 0.00 0.00 0.00 60.65 61.22 2wgo s ILE 46 Cb -0.17 -4.08 -0.26 0.00 0.01 0.00 0.00 42.46 37.96 2wgo s ILE 46 CO 0.14 -0.79 0.74 -0.07 0.00 0.00 0.00 174.94 174.97 2wgo h LEU 47 N 13.34 0.05 -6.62 2.97 3.38 -0.80 -3.45 115.31 124.18 2wgo h LEU 47 Ca -0.29 -0.96 -0.39 0.00 0.09 0.00 0.00 57.88 56.34 2wgo h LEU 47 Cb 1.13 -0.02 -0.36 0.00 0.09 0.00 0.00 40.66 41.50 2wgo h LEU 47 CO 1.11 1.08 -0.68 -0.75 0.09 0.00 0.00 178.44 179.29 2wgo s LYS 48 N -2.25 0.27 -0.13 1.13 2.20 -0.57 -5.02 119.74 115.36 2wgo s LYS 48 Ca -0.19 -0.22 -0.27 0.00 -0.36 0.00 0.00 55.97 54.93 2wgo s LYS 48 Cb -0.02 -0.87 -0.01 0.00 -1.51 0.00 0.00 37.83 35.41 2wgo s LYS 48 CO 0.70 -0.98 0.91 0.99 -0.36 0.00 0.00 175.35 176.60 2wgo s THR 49 N 2.28 4.84 0.35 3.43 2.01 -1.26 -0.79 115.64 126.50 2wgo s THR 49 Ca 0.09 1.82 0.01 0.00 0.31 0.00 0.00 61.69 63.92 2wgo s THR 49 Cb -0.15 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 2wgo s THR 49 CO -0.32 0.03 0.43 -1.20 -0.69 0.00 0.00 174.62 172.87 2wgo n SER 50 N 5.06 -1.17 -3.51 3.53 7.64 0.82 0.37 113.62 126.36 2wgo n SER 50 Ca 0.06 -3.02 -0.10 0.00 1.01 0.00 0.00 58.87 56.83 2wgo n SER 50 Cb 0.49 2.30 -0.02 0.00 -1.01 0.00 0.00 64.21 65.96 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2wgo s GLU 51 N -2.99 1.88 0.01 1.43 -1.05 -1.26 0.05 118.70 116.77 2wgo s GLU 51 Ca 0.33 -1.34 -0.00 0.00 -0.15 0.00 0.00 54.97 53.81 2wgo s GLU 51 Cb -0.00 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 2wgo s GLU 51 CO 0.24 -0.83 0.01 -3.47 0.95 0.00 0.00 175.26 172.16 2wgo n ASP 52 N -0.90 -0.04 -4.57 0.83 -0.08 0.56 -4.87 116.55 107.48 2wgo n ASP 52 Ca -0.04 -1.05 -0.40 0.00 -1.51 0.00 0.00 54.79 51.79 2wgo n ASP 52 Cb 0.61 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 44.10 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2wgo n LYS 53 N -0.01 1.53 -0.07 -0.67 4.01 -1.25 -2.41 118.16 119.28 2wgo n LYS 53 Ca -0.00 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 2wgo n LYS 53 Cb 0.01 -3.29 0.00 0.00 -0.51 0.00 0.00 35.03 31.24 2wgo n LYS 53 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2wgo n ARG 54 N 8.85 0.00 -4.27 1.97 0.63 -1.14 -4.97 116.66 117.74 2wgo n ARG 54 Ca 0.34 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.98 2wgo n ARG 54 Cb 0.48 -1.92 -0.10 0.00 0.45 0.00 0.00 32.46 31.37 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wgo s PHE 55 N -2.78 2.64 0.00 -0.14 0.08 -1.01 -1.13 117.98 115.64 2wgo s PHE 55 Ca 0.00 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 56.88 2wgo s PHE 55 Cb 0.00 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 2wgo s PHE 55 CO 0.00 0.43 -0.09 0.71 -0.10 0.00 0.00 175.22 176.17 2wgo s TYR 56 N -1.31 2.81 -0.19 0.36 1.51 0.17 -0.33 117.35 120.37 2wgo s TYR 56 Ca 0.21 -0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 56.17 2wgo s TYR 56 Cb -0.10 -1.59 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2wgo s TYR 56 CO 0.13 0.33 0.00 0.71 -1.11 0.00 0.00 175.55 175.61 2wgo s TYR 57 N -0.95 1.39 -0.35 2.71 2.02 0.11 -0.37 117.35 121.90 2wgo s TYR 57 Ca 0.16 -1.02 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 2wgo s TYR 57 Cb -0.11 -1.17 0.05 0.00 -0.40 0.00 0.00 41.96 40.33 2wgo s TYR 57 CO 0.06 -0.62 0.12 0.08 -1.57 0.00 0.00 175.55 173.62 2wgo s VAL 58 N 1.74 3.68 -0.25 0.71 1.01 -0.60 -0.13 120.40 126.56 2wgo s VAL 58 Ca -0.01 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 2wgo s VAL 58 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2wgo s VAL 58 CO -0.07 -0.25 0.54 -0.44 0.00 0.00 0.00 175.10 174.87 2wgo s SER 59 N 1.51 6.49 0.13 3.32 0.01 0.03 0.35 113.70 125.53 2wgo s SER 59 Ca -0.01 0.59 0.06 0.00 1.31 0.00 0.00 55.95 57.90 2wgo s SER 59 Cb -0.20 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2wgo s SER 59 CO 0.02 -0.28 -0.15 0.68 0.41 0.00 0.00 173.24 173.92 2wgo s VAL 60 N 2.21 1.40 -0.36 3.43 -7.23 0.18 -0.04 120.40 119.99 2wgo s VAL 60 Ca 0.23 -1.73 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 2wgo s VAL 60 Cb -0.16 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.22 2wgo s VAL 60 CO 0.09 -0.39 0.65 -0.62 -0.31 0.00 0.00 175.10 174.51 2wgo s ASP 61 N -2.46 6.44 0.23 4.85 -1.08 0.13 0.29 116.67 125.06 2wgo s ASP 61 Ca 0.10 0.16 0.24 0.00 -0.52 0.00 0.00 52.55 52.53 2wgo s ASP 61 Cb -0.05 -2.33 0.93 0.00 -1.46 0.00 0.00 42.92 40.01 2wgo s ASP 61 CO 0.03 -0.60 1.72 0.00 0.52 0.00 0.00 175.17 176.84 2wgo n ALA 62 N 6.07 1.82 -2.00 3.66 0.00 -1.26 -1.45 120.51 127.35 2wgo n ALA 62 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2wgo n ALA 62 Cb 0.49 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2wgo n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgo n GLY 63 N 0.34 2.24 2.47 0.00 0.00 -1.26 -4.75 105.19 104.22 2wgo n GLY 63 Ca 0.03 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2wgo n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 64 N 0.00 1.07 0.00 1.61 8.00 -1.26 -4.75 116.55 121.22 2wgo n ASP 64 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2wgo n ASP 64 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wgo n GLY 65 N 2.02 0.55 3.91 0.44 0.00 -1.26 -5.14 105.19 105.71 2wgo n GLY 65 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2wgo n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgo s GLU 66 N 0.00 2.04 -0.30 1.61 0.41 -1.26 -5.02 118.70 116.18 2wgo s GLU 66 Ca 0.00 -0.07 -0.00 0.00 -0.41 0.00 0.00 54.97 54.49 2wgo s GLU 66 Cb 0.00 -2.05 0.19 0.00 -1.78 0.00 0.00 34.13 30.49 2wgo s GLU 66 CO 0.00 -1.45 0.62 0.15 -0.49 0.00 0.00 175.26 174.08 2wgo s LYS 67 N -5.43 0.55 -0.02 1.61 1.02 -1.24 -4.18 119.74 112.05 2wgo s LYS 67 Ca 0.61 0.89 0.04 0.00 0.02 0.00 0.00 55.97 57.53 2wgo s LYS 67 Cb -0.11 0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 37.68 2wgo s LYS 67 CO 0.47 -0.69 -0.13 0.00 -0.92 0.00 0.00 175.35 174.08 2wgo s LYS 69 N -0.12 2.90 -0.17 0.00 2.20 -0.41 0.52 119.74 124.66 2wgo s LYS 69 Ca 0.01 -0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 54.37 2wgo s LYS 69 Cb -0.07 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2wgo s LYS 69 CO 0.00 -0.45 1.20 -0.06 -0.36 0.00 0.00 175.35 175.68 2wgo s PHE 70 N 1.40 3.00 -0.75 4.03 0.40 0.16 -2.45 117.98 123.76 2wgo s PHE 70 Ca 0.01 1.14 -0.18 0.00 -0.60 0.00 0.00 56.93 57.30 2wgo s PHE 70 Cb -0.17 -3.44 0.14 0.00 0.51 0.00 0.00 43.02 40.05 2wgo s PHE 70 CO -0.01 -1.37 0.86 0.21 0.70 0.00 0.00 175.22 175.61 2wgo s LYS 71 N 3.27 3.35 -0.59 0.44 2.20 -0.71 -1.56 119.74 126.16 2wgo s LYS 71 Ca 0.52 -1.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.44 2wgo s LYS 71 Cb -0.20 -4.50 0.15 0.00 -1.51 0.00 0.00 37.83 31.76 2wgo s LYS 71 CO 0.14 -1.57 0.36 0.42 -0.36 0.00 0.00 175.35 174.34 2wgo s ILE 72 N 2.17 3.15 -0.56 5.43 1.01 0.50 -0.75 121.20 132.15 2wgo s ILE 72 Ca 0.20 -3.22 -0.26 0.00 0.00 0.00 0.00 60.65 57.37 2wgo s ILE 72 Cb -0.15 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 2wgo s ILE 72 CO -0.02 -0.85 2.23 -0.60 0.00 0.00 0.00 174.94 175.70 2wgo s ARG 73 N -0.28 2.24 -0.37 2.79 3.52 -1.26 0.42 118.95 126.01 2wgo s ARG 73 Ca 0.18 1.05 -0.39 0.00 -0.13 0.00 0.00 55.73 56.44 2wgo s ARG 73 Cb -0.22 -4.55 -0.14 0.00 -1.56 0.00 0.00 34.95 28.47 2wgo s ARG 73 CO -0.02 -3.19 2.07 0.36 -0.81 0.00 0.00 175.30 173.70 2wgo n LYS 74 N 9.05 0.81 -3.14 5.12 2.85 -0.29 -3.51 118.16 129.06 2wgo n LYS 74 Ca 0.32 0.24 -0.28 0.00 -1.05 0.00 0.00 58.31 57.55 2wgo n LYS 74 Cb 0.53 -2.13 0.03 0.00 -0.65 0.00 0.00 35.03 32.81 2wgo n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2wgo n ASP 75 N 8.19 -5.00 -3.74 -5.58 4.64 -1.26 -4.82 116.55 108.98 2wgo n ASP 75 Ca 0.41 -0.04 -0.29 0.00 -1.38 0.00 0.00 54.79 53.50 2wgo n ASP 75 Cb 0.14 -1.39 -0.12 0.00 -1.04 0.00 0.00 41.12 38.70 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2wgo s VAL 76 N -1.19 1.85 0.00 5.18 -7.23 -1.23 -3.88 120.40 113.91 2wgo s VAL 76 Ca 0.27 -3.28 0.00 0.00 -1.81 0.00 0.00 61.98 57.16 2wgo s VAL 76 Cb -0.03 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2wgo s VAL 76 CO 0.61 -0.99 0.00 0.47 -0.31 0.00 0.00 175.10 174.87 2wgo n ASP 77 N 2.79 0.00 -4.81 4.85 8.00 -1.26 -4.78 116.55 121.35 2wgo n ASP 77 Ca 0.16 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.29 2wgo n ASP 77 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2wgo n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wgo s VAL 78 N 0.00 4.60 -1.10 2.53 0.11 -1.26 -3.75 120.40 121.53 2wgo s VAL 78 Ca 0.00 1.33 -0.22 0.00 -2.93 0.00 0.00 61.98 60.16 2wgo s VAL 78 Cb 0.00 -3.93 0.05 0.00 -1.53 0.00 0.00 36.38 30.97 2wgo s VAL 78 CO 0.00 0.40 1.55 -2.16 -3.33 0.00 0.00 175.10 171.56 2wgo s PRO 79 N -1.48 3.68 0.00 1.54 0.04 -1.24 -1.08 135.00 136.45 2wgo s PRO 79 Ca 0.36 -1.37 0.00 0.00 0.04 0.00 0.00 61.00 60.03 2wgo s PRO 79 Cb -0.19 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 28.94 2wgo s PRO 79 CO 0.22 -2.26 0.00 1.63 0.04 0.00 0.00 177.00 176.62 2wgo n LYS 80 N 8.74 -2.20 -2.64 4.56 5.02 -1.26 -4.77 118.16 125.60 2wgo n LYS 80 Ca 0.38 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.36 2wgo n LYS 80 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 2wgo n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wgo s MET 81 N -1.19 3.80 0.19 1.97 0.23 -1.26 -4.63 119.30 118.41 2wgo s MET 81 Ca 0.00 0.61 0.14 0.00 -1.03 0.00 0.00 55.69 55.42 2wgo s MET 81 Cb 0.00 -2.30 -0.04 0.00 -1.53 0.00 0.00 34.83 30.97 2wgo s MET 81 CO 0.00 -0.15 1.23 -0.24 -2.03 0.00 0.00 175.02 173.83 2wgo h VAL 82 N 0.90 0.88 -1.32 5.16 3.04 -1.56 -3.46 116.25 119.88 2wgo h VAL 82 Ca -0.47 -2.33 0.13 0.00 -1.01 0.00 0.00 66.70 63.02 2wgo h VAL 82 Cb 1.19 2.37 -0.02 0.00 -2.01 0.00 0.00 31.29 32.81 2wgo h VAL 82 CO 0.63 0.50 0.32 0.61 -1.01 0.00 0.00 177.57 178.62 2wgo n GLY 83 N 1.30 0.30 3.49 3.17 0.00 0.07 -5.00 105.19 108.52 2wgo n GLY 83 Ca -0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 2wgo n GLY 83 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wgo s ARG 84 N -2.00 0.53 -0.14 1.61 3.52 -1.26 -1.73 118.95 119.48 2wgo s ARG 84 Ca 0.10 1.15 -0.10 0.00 -0.13 0.00 0.00 55.73 56.75 2wgo s ARG 84 Cb -0.00 0.32 0.04 0.00 -1.56 0.00 0.00 34.95 33.75 2wgo s ARG 84 CO -0.01 -0.18 0.35 0.21 -0.81 0.00 0.00 175.30 174.86 2wgo s LYS 85 N 2.07 0.38 -0.35 5.12 2.20 -1.03 -4.94 119.74 123.20 2wgo s LYS 85 Ca -0.07 0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 55.97 2wgo s LYS 85 Cb -0.09 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 2wgo s LYS 85 CO -0.17 -0.10 0.36 0.00 -0.36 0.00 0.00 175.35 175.09 2wgo n ARG 87 N 5.38 3.67 -0.05 0.00 0.63 -0.83 -4.71 116.66 120.74 2wgo n ARG 87 Ca -0.09 -4.49 -0.22 0.00 -0.92 0.00 0.00 57.85 52.13 2wgo n ARG 87 Cb 0.49 -2.53 -0.13 0.00 0.45 0.00 0.00 32.46 30.75 2wgo n ARG 87 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2wgo n LYS 88 N 2.33 0.66 0.00 -0.14 4.81 -1.02 -4.63 118.16 120.17 2wgo n LYS 88 Ca 0.24 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2wgo n LYS 88 Cb 0.38 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.70 2wgo n LYS 88 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wgo n ASP 89 N -3.99 0.00 -3.55 3.14 8.00 -1.26 -4.88 116.55 114.00 2wgo n ASP 89 Ca -0.32 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 54.90 2wgo n ASP 89 Cb 0.85 -0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.85 2wgo n ASP 89 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2wgo n ASP 90 N -1.01 0.99 -4.11 -2.24 9.92 -1.26 -5.03 116.55 113.81 2wgo n ASP 90 Ca 0.00 -2.74 -0.37 0.00 -0.53 0.00 0.00 54.79 51.15 2wgo n ASP 90 Cb 0.00 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 39.76 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wgo s ASP 91 N -0.70 5.44 0.16 -2.24 2.15 -1.26 -5.07 116.67 115.14 2wgo s ASP 91 Ca 0.31 -2.99 0.05 0.00 0.43 0.00 0.00 52.55 50.35 2wgo s ASP 91 Cb 0.03 -1.89 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 2wgo s ASP 91 CO -0.17 -0.35 0.13 -0.62 -0.17 0.00 0.00 175.17 173.99 2wgo s ASP 92 N 0.63 5.51 0.29 -0.34 2.15 -1.26 -4.76 116.67 118.89 2wgo s ASP 92 Ca 0.19 -0.13 -0.19 0.00 0.43 0.00 0.00 52.55 52.85 2wgo s ASP 92 Cb -0.18 -1.44 0.06 0.00 -0.30 0.00 0.00 42.92 41.07 2wgo s ASP 92 CO -0.05 0.07 0.89 -0.62 -0.17 0.00 0.00 175.17 175.30 2wgo s ASP 93 N -3.06 -0.02 0.00 -0.34 -1.08 -1.26 -5.10 116.67 105.81 2wgo s ASP 93 Ca 0.31 -0.90 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 2wgo s ASP 93 Cb -0.10 0.69 0.00 0.00 -1.46 0.00 0.00 42.92 42.05 2wgo s ASP 93 CO 0.23 -1.36 0.17 0.47 0.52 0.00 0.00 175.17 175.20 2wgo n ASP 94 N -1.24 0.00 -4.03 -0.34 9.92 -1.26 -4.87 116.55 114.73 2wgo n ASP 94 Ca -0.06 0.53 -0.29 0.00 -0.53 0.00 0.00 54.79 54.44 2wgo n ASP 94 Cb 0.60 -0.44 0.20 0.00 -0.64 0.00 0.00 41.12 40.83 2wgo n ASP 94 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2wgo s GLY 95 N -1.71 1.81 0.00 0.44 0.00 -1.26 -5.27 107.32 101.34 2wgo s GLY 95 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2wgo s GLY 95 CO 0.00 -0.56 0.00 2.98 0.00 0.00 0.00 173.10 175.52