#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duw s LYS 2 N 0.00 4.01 -0.01 0.03 3.01 -1.26 -4.94 119.74 120.58 2duw s LYS 2 Ca 0.00 0.02 -0.05 0.00 -1.01 0.00 0.00 55.97 54.93 2duw s LYS 2 Cb 0.00 -3.65 -0.02 0.00 -1.01 0.00 0.00 37.83 33.15 2duw s LYS 2 CO 0.00 -0.27 -0.09 0.39 0.51 0.00 0.00 175.35 175.89 2duw n GLU 3 N 5.30 0.14 -0.28 1.68 1.02 -1.26 -4.84 120.64 122.40 2duw n GLU 3 Ca -0.09 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 2duw n GLU 3 Cb 0.51 -0.63 0.11 0.00 -0.02 0.00 0.00 31.44 31.41 2duw n GLU 3 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2duw n ASN 4 N -3.34 -2.07 -2.96 1.62 2.85 -1.24 -4.11 115.26 106.01 2duw n ASN 4 Ca -0.04 -0.59 -0.13 0.00 -0.11 0.00 0.00 54.58 53.72 2duw n ASN 4 Cb 0.14 -0.40 0.06 0.00 1.24 0.00 0.00 39.78 40.81 2duw n ASN 4 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2duw n ASP 5 N -3.92 -5.18 -0.05 1.20 8.00 -1.26 -4.81 116.55 110.52 2duw n ASP 5 Ca 0.06 -0.57 0.25 0.00 0.71 0.00 0.00 54.79 55.23 2duw n ASP 5 Cb 0.24 -4.39 0.72 0.00 -0.02 0.00 0.00 41.12 37.67 2duw n ASP 5 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2duw h ILE 6 N -1.01 0.44 -0.98 0.53 3.07 -1.95 0.13 117.51 117.73 2duw h ILE 6 Ca -0.50 0.00 0.03 0.00 1.55 0.00 0.00 64.86 65.94 2duw h ILE 6 Cb 1.26 0.56 -0.06 0.00 -0.27 0.00 0.00 36.82 38.32 2duw h ILE 6 CO 0.37 0.00 0.65 0.00 -1.05 0.00 0.00 178.15 178.12 2duw h ALA 7 N 1.46 1.35 0.02 0.16 0.00 -1.97 0.29 119.26 120.57 2duw h ALA 7 Ca 0.32 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2duw h ALA 7 Cb 1.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2duw h ALA 7 CO -0.00 0.57 -0.94 0.78 0.00 0.00 0.00 179.25 179.65 2duw h GLY 8 N 1.26 0.17 1.48 0.00 0.00 -1.07 -1.41 103.07 103.50 2duw h GLY 8 Ca 0.39 -0.33 -0.23 0.00 0.00 0.00 0.00 47.33 47.15 2duw h GLY 8 CO -0.11 0.29 -0.93 -2.22 0.00 0.00 0.00 176.54 173.57 2duw h ILE 9 N 0.07 1.37 0.08 2.60 5.03 -1.24 -1.12 117.51 124.31 2duw h ILE 9 Ca -0.05 -2.36 -0.25 0.00 -0.12 0.00 0.00 64.86 62.08 2duw h ILE 9 Cb 1.61 2.36 -0.00 0.00 -3.03 0.00 0.00 36.82 37.75 2duw h ILE 9 CO 0.14 0.71 -1.12 0.17 -0.68 0.00 0.00 178.15 177.37 2duw h LEU 10 N 0.28 0.40 -0.27 1.44 8.10 -0.51 -2.41 115.31 122.34 2duw h LEU 10 Ca -0.08 -0.39 -0.14 0.00 0.11 0.00 0.00 57.88 57.38 2duw h LEU 10 Cb 1.56 -0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 41.63 2duw h LEU 10 CO 0.17 1.26 -0.67 0.00 -4.11 0.00 0.00 178.44 175.09 2duw h THR 11 N 0.10 1.25 0.02 0.15 1.03 -1.30 -3.37 112.91 110.79 2duw h THR 11 Ca -0.10 -2.51 -0.00 0.00 -0.01 0.00 0.00 66.41 63.78 2duw h THR 11 Cb 1.83 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 71.36 2duw h THR 11 CO 0.18 0.66 -0.01 -1.28 -0.01 0.00 0.00 175.52 175.06 2duw h SER 12 N 0.00 -0.03 -4.29 0.00 0.87 -1.25 -3.48 113.55 105.38 2duw h SER 12 Ca -0.01 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2duw h SER 12 Cb 1.40 0.01 -0.26 0.00 -0.44 0.00 0.00 62.40 63.11 2duw h SER 12 CO 0.09 0.29 -0.81 -0.89 -0.53 0.00 0.00 176.83 174.98 2duw s THR 13 N -1.49 1.26 -0.32 2.23 2.01 -0.91 -5.09 115.64 113.34 2duw s THR 13 Ca -0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.04 2duw s THR 13 Cb 0.00 -1.11 0.08 0.00 0.01 0.00 0.00 72.50 71.49 2duw s THR 13 CO 0.01 0.11 0.01 0.00 -0.69 0.00 0.00 174.62 174.06 2duw s ARG 14 N -1.00 1.82 0.01 4.92 1.70 -1.26 -4.17 118.95 120.97 2duw s ARG 14 Ca 0.04 -1.67 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 2duw s ARG 14 Cb -0.08 -3.13 -0.01 0.00 -0.57 0.00 0.00 34.95 31.16 2duw s ARG 14 CO 0.01 -0.81 -0.02 0.99 -1.08 0.00 0.00 175.30 174.39 2duw s THR 15 N 1.00 0.09 -0.05 4.99 2.01 -1.26 -4.60 115.64 117.82 2duw s THR 15 Ca 0.03 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2duw s THR 15 Cb -0.20 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.19 2duw s THR 15 CO -0.06 -0.15 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.98 2duw s ILE 16 N -0.49 0.98 -0.07 1.82 1.09 0.83 -2.47 121.20 122.90 2duw s ILE 16 Ca -0.05 -0.42 0.05 0.00 -1.10 0.00 0.00 60.65 59.13 2duw s ILE 16 Cb -0.03 -0.89 -0.01 0.00 -1.06 0.00 0.00 42.46 40.47 2duw s ILE 16 CO -0.00 0.31 -0.24 0.00 -0.10 0.00 0.00 174.94 174.91 2duw s ALA 17 N 0.49 2.10 -0.13 9.38 0.00 -0.69 -0.21 121.76 132.70 2duw s ALA 17 Ca -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 2duw s ALA 17 Cb -0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2duw s ALA 17 CO 0.02 0.36 0.04 -1.17 0.00 0.00 0.00 175.76 175.01 2duw s LEU 18 N 0.05 3.78 -0.11 0.00 2.96 -0.60 -0.11 118.68 124.64 2duw s LEU 18 Ca -0.09 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2duw s LEU 18 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2duw s LEU 18 CO 0.05 0.29 0.00 -0.69 -1.32 0.00 0.00 176.35 174.68 2duw s VAL 19 N -0.33 4.29 -0.52 1.68 1.01 -1.24 -0.09 120.40 125.20 2duw s VAL 19 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2duw s VAL 19 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2duw s VAL 19 CO 0.02 0.57 0.30 0.61 0.00 0.00 0.00 175.10 176.60 2duw n GLY 20 N 2.49 0.33 3.60 4.51 0.00 -0.33 -4.64 105.19 111.16 2duw n GLY 20 Ca -0.18 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2duw n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2duw s ALA 21 N -2.90 3.06 0.00 4.61 0.00 -1.21 -4.97 121.76 120.34 2duw s ALA 21 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2duw s ALA 21 Cb -0.07 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2duw s ALA 21 CO 0.18 -2.35 0.00 0.45 0.00 0.00 0.00 175.76 174.04 2duw n SER 22 N 8.97 1.65 -2.19 0.00 2.88 -1.26 -4.51 113.62 119.17 2duw n SER 22 Ca 0.18 -0.97 -0.25 0.00 -1.33 0.00 0.00 58.87 56.51 2duw n SER 22 Cb 0.47 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2duw n SER 22 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2duw n ASP 23 N -1.30 6.83 -4.13 -3.46 5.75 -1.26 -4.78 116.55 114.19 2duw n ASP 23 Ca 0.00 -3.31 -0.38 0.00 -0.01 0.00 0.00 54.79 51.09 2duw n ASP 23 Cb 0.00 -1.08 -0.07 0.00 -1.03 0.00 0.00 41.12 38.94 2duw n ASP 23 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2duw s LYS 24 N -2.40 3.15 0.00 0.11 -0.14 -1.26 -4.88 119.74 114.32 2duw s LYS 24 Ca 0.46 -3.00 0.15 0.00 -1.36 0.00 0.00 55.97 52.22 2duw s LYS 24 Cb 0.35 -3.96 0.72 0.00 -1.68 0.00 0.00 37.83 33.25 2duw s LYS 24 CO -0.08 -1.24 1.42 -0.35 -0.76 0.00 0.00 175.35 174.34 2duw n PRO 25 N 2.81 0.17 -0.87 -1.68 -0.04 -1.26 -2.33 135.00 131.80 2duw n PRO 25 Ca 0.17 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.84 2duw n PRO 25 Cb 0.38 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.70 2duw n PRO 25 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2duw n ASP 26 N -1.33 5.29 -4.46 3.54 9.92 -1.26 -4.60 116.55 123.66 2duw n ASP 26 Ca 0.06 -2.92 -0.24 0.00 -0.53 0.00 0.00 54.79 51.16 2duw n ASP 26 Cb 0.13 -0.69 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 2duw n ASP 26 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2duw s ARG 27 N -2.68 1.64 0.53 -1.24 1.81 -0.98 -5.03 118.95 112.99 2duw s ARG 27 Ca 0.51 -1.73 0.32 0.00 -1.72 0.00 0.00 55.73 53.11 2duw s ARG 27 Cb 0.39 -1.74 1.32 0.00 -0.45 0.00 0.00 34.95 34.47 2duw s ARG 27 CO 0.14 0.33 1.97 -1.00 -0.68 0.00 0.00 175.30 176.06 2duw h PRO 28 N 2.39 0.00 0.00 3.54 0.13 -1.90 -2.16 132.00 134.00 2duw h PRO 28 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 2duw h PRO 28 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2duw h PRO 28 CO 0.59 0.06 -0.58 0.77 -0.23 0.00 0.00 178.00 178.60 2duw h SER 29 N 0.00 0.00 0.06 1.44 0.02 -1.90 -3.09 113.55 110.08 2duw h SER 29 Ca -0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2duw h SER 29 Cb 0.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2duw h SER 29 CO 0.01 0.58 -1.34 0.22 -1.14 0.00 0.00 176.83 175.16 2duw h TYR 30 N 0.00 0.24 -0.86 3.45 5.03 -1.69 -3.19 116.97 119.95 2duw h TYR 30 Ca -0.01 -0.17 0.16 0.00 2.58 0.00 0.00 58.73 61.29 2duw h TYR 30 Cb 1.30 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 39.51 2duw h TYR 30 CO 0.00 1.53 0.56 0.07 -1.32 0.00 0.00 178.16 179.00 2duw h ARG 31 N -0.58 0.53 0.00 1.82 0.11 -1.50 0.93 114.38 115.69 2duw h ARG 31 Ca -0.32 -0.03 -0.18 0.00 0.10 0.00 0.00 59.98 59.55 2duw h ARG 31 Cb 1.56 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 32.50 2duw h ARG 31 CO -0.05 0.35 -0.87 -0.39 0.10 0.00 0.00 179.97 179.11 2duw h VAL 32 N 0.54 1.62 0.75 0.08 -1.51 -1.69 -2.38 116.25 113.67 2duw h VAL 32 Ca 0.43 -2.96 -0.04 0.00 -1.23 0.00 0.00 66.70 62.90 2duw h VAL 32 Cb 0.87 2.60 0.01 0.00 -2.13 0.00 0.00 31.29 32.63 2duw h VAL 32 CO -0.18 0.85 -0.36 -0.03 -1.23 0.00 0.00 177.57 176.62 2duw h MET 33 N 0.00 -0.97 0.00 5.19 4.05 -0.81 0.25 114.93 122.65 2duw h MET 33 Ca -0.01 0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 2duw h MET 33 Cb 1.53 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 32.55 2duw h MET 33 CO 0.11 -0.63 -0.17 -0.22 0.23 0.00 0.00 176.91 176.24 2duw h LYS 34 N -1.07 0.00 -0.03 0.39 3.11 -1.55 -2.12 116.57 115.30 2duw h LYS 34 Ca -0.10 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.67 2duw h LYS 34 Cb 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2duw h LYS 34 CO 0.17 0.17 -0.25 -0.92 -2.81 0.00 0.00 179.45 175.80 2duw h TYR 35 N 0.00 0.31 -0.22 1.91 3.20 -1.20 -2.28 116.97 118.68 2duw h TYR 35 Ca -0.00 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.61 2duw h TYR 35 Cb 0.64 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2duw h TYR 35 CO 0.00 0.90 -0.33 -0.07 -1.64 0.00 0.00 178.16 177.02 2duw h LEU 36 N -0.37 0.47 -0.21 2.82 3.38 -0.44 -3.02 115.31 117.94 2duw h LEU 36 Ca -0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2duw h LEU 36 Cb 0.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2duw h LEU 36 CO 0.05 0.77 -0.05 -0.07 0.09 0.00 0.00 178.44 179.24 2duw h LEU 37 N 0.39 0.41 -0.24 1.67 3.38 -1.44 -2.46 115.31 117.01 2duw h LEU 37 Ca 0.05 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.71 2duw h LEU 37 Cb 0.77 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2duw h LEU 37 CO 0.06 0.68 -0.18 0.44 0.09 0.00 0.00 178.44 179.53 2duw h ASP 38 N 0.13 -0.59 -0.17 -0.43 5.19 -1.34 0.13 116.42 119.34 2duw h ASP 38 Ca 0.05 0.12 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 2duw h ASP 38 Cb 0.50 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2duw h ASP 38 CO 0.02 -0.22 0.21 1.56 -3.12 0.00 0.00 179.24 177.69 2duw h GLN 39 N -0.17 0.00 0.00 3.56 1.08 -1.53 -3.45 115.11 114.60 2duw h GLN 39 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2duw h GLN 39 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2duw h GLN 39 CO -0.35 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 177.94 2duw n GLY 40 N -1.38 0.85 3.71 3.46 0.00 0.46 -5.11 105.19 107.17 2duw n GLY 40 Ca 0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2duw n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2duw s TYR 41 N -1.80 1.96 -0.44 1.61 1.51 -0.94 -5.03 117.35 114.22 2duw s TYR 41 Ca 0.00 -0.95 -0.15 0.00 -1.01 0.00 0.00 57.07 54.96 2duw s TYR 41 Cb 0.00 -1.58 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2duw s TYR 41 CO 0.00 0.20 0.35 -1.58 -1.11 0.00 0.00 175.55 173.41 2duw s HIS 42 N -2.90 3.25 -0.13 2.71 2.46 -1.26 -4.72 115.29 114.69 2duw s HIS 42 Ca 0.13 -0.81 -0.04 0.00 0.47 0.00 0.00 55.06 54.80 2duw s HIS 42 Cb 0.03 -2.91 -0.03 0.00 -0.13 0.00 0.00 32.58 29.54 2duw s HIS 42 CO 0.07 -0.71 0.01 0.08 -2.47 0.00 0.00 174.74 171.72 2duw s VAL 43 N 1.65 4.37 -0.56 0.89 1.01 -1.24 -0.12 120.40 126.40 2duw s VAL 43 Ca 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2duw s VAL 43 Cb -0.22 -2.90 0.20 0.00 0.00 0.00 0.00 36.38 33.46 2duw s VAL 43 CO 0.08 0.53 0.50 -0.38 0.00 0.00 0.00 175.10 175.84 2duw n ILE 44 N 2.94 0.60 -2.21 2.22 5.41 0.71 -4.88 119.36 124.15 2duw n ILE 44 Ca -0.18 -4.39 -0.42 0.00 1.00 0.00 0.00 62.75 58.76 2duw n ILE 44 Cb 0.53 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.45 2duw n ILE 44 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2duw s PRO 45 N -1.19 4.34 -0.12 0.38 0.04 -1.26 -1.56 135.00 135.64 2duw s PRO 45 Ca 0.32 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.40 2duw s PRO 45 Cb 0.05 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.36 2duw s PRO 45 CO -0.14 -0.39 -0.12 0.08 0.04 0.00 0.00 177.00 176.47 2duw s VAL 46 N 0.95 1.34 0.02 -0.36 1.01 0.87 -4.10 120.40 120.12 2duw s VAL 46 Ca 0.63 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2duw s VAL 46 Cb -0.36 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2duw s VAL 46 CO 0.31 0.42 0.19 -0.55 0.00 0.00 0.00 175.10 175.47 2duw s SER 47 N 1.38 -0.00 0.04 3.32 0.15 0.90 -1.19 113.70 118.30 2duw s SER 47 Ca 0.01 -0.24 0.16 0.00 0.70 0.00 0.00 55.95 56.57 2duw s SER 47 Cb -0.13 0.26 0.66 0.00 -1.71 0.00 0.00 66.02 65.10 2duw s SER 47 CO -0.07 -0.48 1.49 -0.81 1.20 0.00 0.00 173.24 174.58 2duw n PRO 48 N 1.03 0.03 -0.08 5.44 -0.04 -1.25 -2.20 135.00 137.93 2duw n PRO 48 Ca -0.21 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 2duw n PRO 48 Cb 0.57 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 2duw n PRO 48 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2duw n LYS 49 N -1.60 1.13 0.00 0.54 5.02 -1.26 -4.39 118.16 117.60 2duw n LYS 49 Ca 0.03 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 2duw n LYS 49 Cb 0.18 -1.39 0.54 0.00 -0.02 0.00 0.00 35.03 34.34 2duw n LYS 49 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2duw n VAL 50 N -2.75 0.26 -1.53 -0.18 3.14 -1.14 -4.78 118.33 111.35 2duw n VAL 50 Ca -0.28 0.05 -0.40 0.00 -2.96 0.00 0.00 64.34 60.75 2duw n VAL 50 Cb 0.94 -0.63 -0.06 0.00 -1.06 0.00 0.00 33.84 33.03 2duw n VAL 50 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2duw n ALA 51 N -1.51 0.82 0.00 1.55 0.00 -0.93 -0.03 120.51 120.40 2duw n ALA 51 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2duw n ALA 51 Cb 0.30 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.87 2duw n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2duw n GLY 52 N 6.18 1.16 3.33 0.00 0.00 -1.25 -4.84 105.19 109.77 2duw n GLY 52 Ca 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 2duw n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duw s LYS 53 N -0.29 1.47 -0.25 1.61 1.02 0.95 -4.97 119.74 119.29 2duw s LYS 53 Ca 0.00 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.19 2duw s LYS 53 Cb 0.00 -0.24 0.05 0.00 -0.52 0.00 0.00 37.83 37.12 2duw s LYS 53 CO 0.00 -0.34 -0.11 0.99 -0.92 0.00 0.00 175.35 174.97 2duw s THR 54 N -3.70 2.34 -0.32 2.17 2.01 -1.26 -0.13 115.64 116.75 2duw s THR 54 Ca 0.37 -1.38 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 2duw s THR 54 Cb 0.07 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 2duw s THR 54 CO 0.15 0.11 0.19 -0.76 -0.69 0.00 0.00 174.62 173.62 2duw s LEU 55 N 1.19 4.29 -1.70 4.42 1.43 0.18 -4.40 118.68 124.09 2duw s LEU 55 Ca -0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2duw s LEU 55 Cb -0.18 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2duw s LEU 55 CO -0.06 -0.21 0.00 0.18 0.23 0.00 0.00 176.35 176.49 2duw n LEU 56 N 5.04 -1.54 0.00 1.79 4.77 -1.26 -0.21 117.00 125.58 2duw n LEU 56 Ca -0.13 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2duw n LEU 56 Cb 0.49 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 2duw n LEU 56 CO 0.35 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 2duw n GLY 57 N -0.70 0.75 3.63 -0.72 0.00 -1.26 -5.05 105.19 101.83 2duw n GLY 57 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2duw n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2duw s GLN 58 N -0.49 3.60 0.42 1.61 -1.52 0.70 -5.08 119.66 118.91 2duw s GLN 58 Ca 0.00 -0.39 -0.26 0.00 -1.95 0.00 0.00 55.36 52.76 2duw s GLN 58 Cb 0.00 -3.03 -0.09 0.00 -0.22 0.00 0.00 33.01 29.68 2duw s GLN 58 CO 0.00 0.42 1.41 -1.14 -0.25 0.00 0.00 175.29 175.73 2duw s GLN 59 N -0.07 3.84 0.25 2.91 2.00 -1.26 -0.65 119.66 126.69 2duw s GLN 59 Ca 0.05 2.40 -0.01 0.00 -2.00 0.00 0.00 55.36 55.79 2duw s GLN 59 Cb -0.12 -2.75 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 2duw s GLN 59 CO 0.02 -0.68 0.46 0.20 -0.50 0.00 0.00 175.29 174.78 2duw s GLY 60 N -0.47 1.69 -0.14 2.59 0.00 0.82 -4.57 107.32 107.23 2duw s GLY 60 Ca 0.58 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 2duw s GLY 60 CO 0.56 -0.75 0.34 -0.19 0.00 0.00 0.00 173.10 173.07 2duw s TYR 61 N -2.01 -0.44 0.35 1.90 2.02 -1.26 -3.85 117.35 114.06 2duw s TYR 61 Ca 0.40 1.01 0.12 0.00 -0.37 0.00 0.00 57.07 58.23 2duw s TYR 61 Cb -0.11 0.16 0.66 0.00 -0.40 0.00 0.00 41.96 42.27 2duw s TYR 61 CO 0.31 -0.25 1.80 0.00 -1.57 0.00 0.00 175.55 175.83 2duw h ALA 62 N 6.51 1.33 -2.06 3.71 0.00 -1.87 0.26 119.26 127.12 2duw h ALA 62 Ca -0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 2duw h ALA 62 Cb 1.18 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.71 2duw h ALA 62 CO 0.31 0.50 0.31 -0.08 0.00 0.00 0.00 179.25 180.30 2duw s THR 63 N -4.16 0.00 0.17 0.00 -1.32 -1.26 -3.79 115.64 105.28 2duw s THR 63 Ca -0.03 0.00 0.33 0.00 -1.21 0.00 0.00 61.69 60.78 2duw s THR 63 Cb 0.14 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.47 2duw s THR 63 CO 0.73 0.00 2.00 0.17 -2.21 0.00 0.00 174.62 175.32 2duw h LEU 64 N 2.65 0.00 -1.27 9.08 -0.00 -1.95 -1.25 115.31 122.56 2duw h LEU 64 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2duw h LEU 64 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2duw h LEU 64 CO 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.80 2duw h ALA 65 N 2.03 1.00 0.03 0.17 0.00 -1.96 -2.76 119.26 117.77 2duw h ALA 65 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 2duw h ALA 65 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2duw h ALA 65 CO 0.00 0.00 -2.28 -0.25 0.00 0.00 0.00 179.25 176.72 2duw n ASP 66 N -2.45 1.66 -4.44 0.00 9.92 -0.47 -4.90 116.55 115.87 2duw n ASP 66 Ca 0.00 0.01 -0.49 0.00 -0.53 0.00 0.00 54.79 53.78 2duw n ASP 66 Cb 0.16 -0.31 -0.08 0.00 -0.64 0.00 0.00 41.12 40.26 2duw n ASP 66 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2duw n VAL 67 N -3.23 0.14 -0.11 2.53 0.31 -1.04 -4.82 118.33 112.09 2duw n VAL 67 Ca -0.38 -0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 2duw n VAL 67 Cb 1.03 -1.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 2duw n VAL 67 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2duw h PRO 68 N 12.75 0.88 -6.52 5.55 0.13 -1.90 -3.44 132.00 139.44 2duw h PRO 68 Ca -0.24 -0.46 -0.53 0.00 -0.87 0.00 0.00 66.00 63.90 2duw h PRO 68 Cb 1.32 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.48 2duw h PRO 68 CO 1.07 1.11 0.57 -2.00 -0.23 0.00 0.00 178.00 178.51 2duw s GLU 69 N -4.39 4.44 -0.01 0.86 2.12 -1.26 -4.99 118.70 115.47 2duw s GLU 69 Ca -0.11 1.80 -0.30 0.00 0.36 0.00 0.00 54.97 56.72 2duw s GLU 69 Cb 0.10 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2duw s GLU 69 CO 0.87 -0.22 1.15 -1.59 -0.54 0.00 0.00 175.26 174.93 2duw s LYS 70 N 0.79 4.42 0.28 4.30 -2.85 -1.26 -5.02 119.74 120.39 2duw s LYS 70 Ca 0.58 1.65 -0.24 0.00 -1.00 0.00 0.00 55.97 56.96 2duw s LYS 70 Cb -0.30 -3.47 -0.09 0.00 -2.06 0.00 0.00 37.83 31.90 2duw s LYS 70 CO 0.31 -0.31 0.85 0.54 0.10 0.00 0.00 175.35 176.84 2duw s VAL 71 N 1.62 4.35 -0.03 1.79 0.11 -1.26 -4.99 120.40 121.99 2duw s VAL 71 Ca 0.56 1.62 -0.21 0.00 -2.93 0.00 0.00 61.98 61.01 2duw s VAL 71 Cb -0.25 -3.96 -0.32 0.00 -1.53 0.00 0.00 36.38 30.32 2duw s VAL 71 CO 0.25 0.18 0.91 -0.78 -3.33 0.00 0.00 175.10 172.33 2duw h ASP 72 N 3.30 0.54 -3.33 3.54 3.58 -1.93 -3.31 116.42 118.81 2duw h ASP 72 Ca -0.47 -0.95 -0.20 0.00 0.42 0.00 0.00 57.03 55.83 2duw h ASP 72 Cb 1.19 -0.18 -0.30 0.00 1.72 0.00 0.00 39.33 41.77 2duw h ASP 72 CO 0.65 1.45 -0.49 -0.32 -2.88 0.00 0.00 179.24 177.65 2duw s MET 73 N -2.46 0.20 -0.43 0.28 1.75 -1.03 -1.42 119.30 116.19 2duw s MET 73 Ca -0.13 0.54 -0.17 0.00 -1.25 0.00 0.00 55.69 54.68 2duw s MET 73 Cb 0.01 -0.12 0.03 0.00 2.84 0.00 0.00 34.83 37.59 2duw s MET 73 CO 0.85 -0.17 0.41 0.08 -0.65 0.00 0.00 175.02 175.54 2duw s VAL 74 N 1.33 5.14 -0.09 10.11 1.01 -0.88 -1.71 120.40 135.31 2duw s VAL 74 Ca -0.09 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2duw s VAL 74 Cb -0.11 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2duw s VAL 74 CO -0.08 -0.45 0.97 -0.62 0.00 0.00 0.00 175.10 174.92 2duw s ASP 75 N 1.96 7.22 -0.25 3.32 -1.08 0.84 -1.36 116.67 127.33 2duw s ASP 75 Ca 0.09 1.50 -0.04 0.00 -0.52 0.00 0.00 52.55 53.57 2duw s ASP 75 Cb -0.19 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.74 2duw s ASP 75 CO 0.11 -0.39 -0.00 -0.69 0.52 0.00 0.00 175.17 174.72 2duw s VAL 76 N 1.79 3.48 -0.08 1.11 1.01 0.84 -3.72 120.40 124.84 2duw s VAL 76 Ca 0.47 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2duw s VAL 76 Cb -0.19 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2duw s VAL 76 CO 0.19 0.25 0.11 0.49 0.00 0.00 0.00 175.10 176.13 2duw n PHE 77 N 4.79 0.00 0.00 5.22 3.72 -1.26 -3.04 117.46 126.89 2duw n PHE 77 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2duw n PHE 77 Cb 0.49 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 2duw n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2duw n ARG 78 N -1.35 0.00 -3.79 -1.08 1.74 -1.26 -4.64 116.66 106.28 2duw n ARG 78 Ca -0.00 0.54 0.02 0.00 -0.77 0.00 0.00 57.85 57.64 2duw n ARG 78 Cb 0.07 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 2duw n ARG 78 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2duw n ASN 79 N -1.85 -1.14 -0.04 0.55 2.85 -1.26 -5.02 115.26 109.35 2duw n ASN 79 Ca 0.00 -1.29 -0.15 0.00 -0.11 0.00 0.00 54.58 53.04 2duw n ASN 79 Cb 0.00 1.78 -0.09 0.00 1.24 0.00 0.00 39.78 42.71 2duw n ASN 79 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2duw h SER 80 N 1.80 0.40 -0.96 1.20 0.87 -1.97 -2.70 113.55 112.20 2duw h SER 80 Ca -0.20 -0.62 0.16 0.00 -1.23 0.00 0.00 61.79 59.90 2duw h SER 80 Cb 1.07 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 62.83 2duw h SER 80 CO 0.29 0.95 0.61 -0.08 -0.53 0.00 0.00 176.83 178.06 2duw h GLU 81 N -0.13 0.73 0.00 2.24 4.81 -2.03 0.23 114.58 120.44 2duw h GLU 81 Ca -0.01 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2duw h GLU 81 Cb 0.92 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2duw h GLU 81 CO 0.06 0.49 -0.39 0.00 -0.73 0.00 0.00 179.01 178.44 2duw h ALA 82 N 1.60 0.86 -0.76 2.92 0.00 -1.95 -3.24 119.26 118.68 2duw h ALA 82 Ca 0.51 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2duw h ALA 82 Cb 0.78 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 2duw h ALA 82 CO -0.27 0.48 0.40 0.00 0.00 0.00 0.00 179.25 179.86 2duw h ALA 83 N 1.61 1.08 0.30 0.00 0.00 -0.20 0.22 119.26 122.28 2duw h ALA 83 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2duw h ALA 83 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2duw h ALA 83 CO 0.05 -0.01 -0.14 2.35 0.00 0.00 0.00 179.25 181.49 2duw h TRP 84 N 0.66 -0.37 -0.70 0.00 2.91 -1.57 0.21 115.95 117.08 2duw h TRP 84 Ca 0.38 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.41 2duw h TRP 84 Cb 0.41 0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.14 2duw h TRP 84 CO -0.09 -0.11 0.45 0.78 -1.03 0.00 0.00 178.44 178.44 2duw h GLY 85 N -0.60 1.01 2.00 2.65 0.00 -1.57 -1.78 103.07 104.77 2duw h GLY 85 Ca -0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2duw h GLY 85 CO 0.07 0.31 -0.37 -2.08 0.00 0.00 0.00 176.54 174.47 2duw h VAL 86 N 0.89 0.87 0.36 4.60 2.07 -0.53 -2.98 116.25 121.53 2duw h VAL 86 Ca 0.28 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2duw h VAL 86 Cb -0.02 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2duw h VAL 86 CO -0.09 0.36 -0.17 0.00 0.02 0.00 0.00 177.57 177.69 2duw h ALA 87 N 1.63 -0.48 -0.73 1.67 0.00 0.25 -1.99 119.26 119.61 2duw h ALA 87 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2duw h ALA 87 Cb 0.89 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2duw h ALA 87 CO 0.05 -0.59 0.41 -0.56 0.00 0.00 0.00 179.25 178.56 2duw h GLN 88 N -0.84 0.71 -0.48 0.00 3.07 -1.44 -0.27 115.11 115.86 2duw h GLN 88 Ca -0.05 -0.04 0.01 0.00 0.09 0.00 0.00 58.65 58.66 2duw h GLN 88 Cb 0.53 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 27.90 2duw h GLN 88 CO 0.08 0.47 0.31 0.93 0.09 0.00 0.00 178.83 180.71 2duw h GLU 89 N 0.74 0.61 0.01 0.06 5.08 -1.54 0.24 114.58 119.77 2duw h GLU 89 Ca 0.34 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2duw h GLU 89 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2duw h GLU 89 CO -0.20 0.40 -0.00 0.00 -1.00 0.00 0.00 179.01 178.20 2duw h ALA 90 N 1.19 -0.01 -0.55 3.43 0.00 -0.64 -2.37 119.26 120.31 2duw h ALA 90 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2duw h ALA 90 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2duw h ALA 90 CO -0.06 -0.41 0.22 0.82 0.00 0.00 0.00 179.25 179.82 2duw h ILE 91 N -0.20 1.20 0.14 0.00 2.04 -0.89 0.29 117.51 120.09 2duw h ILE 91 Ca -0.00 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2duw h ILE 91 Cb 0.19 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2duw h ILE 91 CO 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 178.15 178.32 2duw h ALA 92 N 1.47 -0.20 0.00 1.87 0.00 -0.35 -2.48 119.26 119.57 2duw h ALA 92 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2duw h ALA 92 Cb 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2duw h ALA 92 CO -0.02 -0.61 -0.25 -0.84 0.00 0.00 0.00 179.25 177.53 2duw h ILE 93 N -0.20 0.62 0.00 0.00 3.07 -1.23 -3.47 117.51 116.31 2duw h ILE 93 Ca -0.02 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.24 2duw h ILE 93 Cb 0.16 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2duw h ILE 93 CO 0.02 0.24 0.00 0.61 -1.05 0.00 0.00 178.15 177.98 2duw n GLY 94 N 0.09 0.72 3.49 0.16 0.00 -0.18 -5.11 105.19 104.37 2duw n GLY 94 Ca -0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2duw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2duw s ALA 95 N -1.24 0.00 -0.03 4.61 0.00 0.84 -4.97 121.76 120.98 2duw s ALA 95 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2duw s ALA 95 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 2duw s ALA 95 CO 0.00 -3.86 0.02 1.63 0.00 0.00 0.00 175.76 173.55 2duw n LYS 96 N -4.99 2.94 -3.45 0.00 5.02 -1.25 -4.92 118.16 111.52 2duw n LYS 96 Ca 0.10 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 2duw n LYS 96 Cb 0.58 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 2duw n LYS 96 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2duw s THR 97 N -2.11 0.00 -0.02 -0.18 2.01 -0.51 -4.39 115.64 110.45 2duw s THR 97 Ca -0.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2duw s THR 97 Cb 0.01 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2duw s THR 97 CO 0.14 0.00 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.85 2duw s LEU 98 N -2.41 1.49 -0.02 4.42 2.96 0.63 -2.08 118.68 123.68 2duw s LEU 98 Ca -0.01 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2duw s LEU 98 Cb -0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.54 2duw s LEU 98 CO -0.08 -0.06 -0.11 0.86 -1.32 0.00 0.00 176.35 175.64 2duw s TRP 99 N 0.59 1.06 0.00 5.38 -0.11 -0.46 -0.53 118.94 124.87 2duw s TRP 99 Ca -0.05 -0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.04 2duw s TRP 99 Cb -0.08 -0.70 0.00 0.00 -1.50 0.00 0.00 33.47 31.19 2duw s TRP 99 CO -0.01 -0.05 0.00 1.28 -4.62 0.00 0.00 176.95 173.55 2duw n LEU 100 N 2.95 0.00 -4.87 5.86 4.77 -0.71 -0.11 117.00 124.88 2duw n LEU 100 Ca -0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 2duw n LEU 100 Cb 0.55 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2duw n LEU 100 CO 0.25 -0.08 0.48 -1.58 -1.33 0.00 0.00 177.39 175.13 2duw s GLN 101 N -1.05 3.77 0.05 3.23 2.00 -1.17 -4.41 119.66 122.08 2duw s GLN 101 Ca 0.00 0.51 -0.30 0.00 -2.00 0.00 0.00 55.36 53.57 2duw s GLN 101 Cb 0.00 -2.35 -0.04 0.00 0.80 0.00 0.00 33.01 31.42 2duw s GLN 101 CO 0.00 -0.10 1.00 -1.17 -0.50 0.00 0.00 175.29 174.51 2duw s LEU 102 N -4.02 4.42 0.00 3.68 2.96 -1.24 -2.38 118.68 122.11 2duw s LEU 102 Ca 0.52 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 2duw s LEU 102 Cb -0.10 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2duw s LEU 102 CO 0.34 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 2duw n GLY 103 N 2.67 1.50 3.87 7.98 0.00 -1.26 -4.83 105.19 115.12 2duw n GLY 103 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2duw n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duw s VAL 104 N -2.35 4.97 -0.26 1.61 0.11 -1.22 -4.94 120.40 118.32 2duw s VAL 104 Ca 0.00 0.46 -0.03 0.00 -2.93 0.00 0.00 61.98 59.48 2duw s VAL 104 Cb 0.00 -3.64 0.10 0.00 -1.53 0.00 0.00 36.38 31.32 2duw s VAL 104 CO 0.00 0.02 0.18 -0.63 -3.33 0.00 0.00 175.10 171.35 2duw s ILE 105 N -1.70 -0.21 -0.58 7.04 1.01 -1.26 -2.05 121.20 123.45 2duw s ILE 105 Ca 0.44 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2duw s ILE 105 Cb -0.12 -0.87 0.15 0.00 0.01 0.00 0.00 42.46 41.62 2duw s ILE 105 CO 0.21 -0.51 0.36 0.21 0.00 0.00 0.00 174.94 175.21 2duw s ASN 106 N 2.21 4.77 0.40 3.58 3.84 -1.26 -4.94 114.94 123.54 2duw s ASN 106 Ca 0.08 -2.99 0.15 0.00 0.21 0.00 0.00 52.86 50.31 2duw s ASN 106 Cb -0.15 -1.74 1.01 0.00 -0.55 0.00 0.00 41.25 39.82 2duw s ASN 106 CO -0.28 -0.29 1.84 -0.08 -2.79 0.00 0.00 177.10 175.51 2duw h GLU 107 N 6.69 0.47 -0.23 0.43 4.57 -1.99 -0.50 114.58 124.02 2duw h GLU 107 Ca -0.04 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2duw h GLU 107 Cb 0.91 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2duw h GLU 107 CO 0.70 0.31 0.12 0.37 -1.18 0.00 0.00 179.01 179.33 2duw h GLN 108 N 0.48 0.32 -0.01 1.92 5.75 -2.00 -1.92 115.11 119.66 2duw h GLN 108 Ca 0.49 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.91 2duw h GLN 108 Cb 1.11 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 2duw h GLN 108 CO -0.21 0.31 -0.19 0.00 -2.65 0.00 0.00 178.83 176.08 2duw h ALA 109 N 1.00 1.67 -0.06 3.38 0.00 -1.51 -1.49 119.26 122.24 2duw h ALA 109 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2duw h ALA 109 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2duw h ALA 109 CO -0.01 0.25 -0.56 0.00 0.00 0.00 0.00 179.25 178.93 2duw h ALA 110 N 1.80 0.94 0.16 0.00 0.00 -0.86 -3.02 119.26 118.28 2duw h ALA 110 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 2duw h ALA 110 Cb 0.34 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2duw h ALA 110 CO 0.02 0.70 -1.31 0.28 0.00 0.00 0.00 179.25 178.95 2duw h VAL 111 N 0.14 1.30 -0.56 0.00 2.07 -0.71 -2.81 116.25 115.68 2duw h VAL 111 Ca -0.00 -2.58 0.06 0.00 0.82 0.00 0.00 66.70 65.01 2duw h VAL 111 Cb 1.03 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 33.55 2duw h VAL 111 CO 0.08 0.78 0.26 0.25 0.02 0.00 0.00 177.57 178.96 2duw h LEU 112 N 0.22 0.33 -0.52 2.57 5.85 -1.28 0.25 115.31 122.74 2duw h LEU 112 Ca -0.20 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 2duw h LEU 112 Cb 1.99 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 2duw h LEU 112 CO 0.25 0.22 -0.46 0.00 -0.34 0.00 0.00 178.44 178.10 2duw h ALA 113 N 1.33 0.69 0.00 1.25 0.00 -1.62 -2.95 119.26 117.96 2duw h ALA 113 Ca 0.26 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2duw h ALA 113 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2duw h ALA 113 CO -0.21 0.67 -0.31 -0.09 0.00 0.00 0.00 179.25 179.31 2duw h ARG 114 N 0.55 0.00 -0.49 0.00 2.43 -1.10 0.33 114.38 116.11 2duw h ARG 114 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2duw h ARG 114 Cb 1.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2duw h ARG 114 CO 0.10 0.31 0.26 0.93 -1.51 0.00 0.00 179.97 180.06 2duw h GLU 115 N 0.00 0.67 0.00 0.20 4.39 -0.35 -2.97 114.58 116.52 2duw h GLU 115 Ca -0.00 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 2duw h GLU 115 Cb 0.70 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2duw h GLU 115 CO 0.04 0.49 -2.01 0.00 -1.16 0.00 0.00 179.01 176.38 2duw n ALA 116 N -2.46 2.27 0.00 3.43 0.00 -1.08 -5.00 120.51 117.67 2duw n ALA 116 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2duw n ALA 116 Cb 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2duw n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2duw n GLY 117 N 1.60 0.84 3.44 0.00 0.00 0.84 -5.08 105.19 106.84 2duw n GLY 117 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2duw n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2duw n LEU 118 N 0.00 0.39 -4.33 0.99 -0.00 0.65 -3.59 117.00 111.12 2duw n LEU 118 Ca 0.00 0.47 -0.46 0.00 -0.00 0.00 0.00 56.01 56.01 2duw n LEU 118 Cb 0.00 -1.21 -0.03 0.00 -0.00 0.00 0.00 43.42 42.17 2duw n LEU 118 CO 0.00 -3.34 0.32 -0.55 -0.00 0.00 0.00 177.39 173.82 2duw s SER 119 N -1.72 6.49 -0.18 1.96 0.15 -1.26 -4.35 113.70 114.79 2duw s SER 119 Ca 0.61 -2.24 -0.09 0.00 0.70 0.00 0.00 55.95 54.93 2duw s SER 119 Cb -0.28 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2duw s SER 119 CO 0.62 -0.73 0.12 0.54 1.20 0.00 0.00 173.24 175.00 2duw s VAL 120 N 0.93 5.34 -0.25 4.45 0.11 -1.26 -0.27 120.40 129.45 2duw s VAL 120 Ca 0.12 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 2duw s VAL 120 Cb -0.19 -3.41 0.08 0.00 -1.53 0.00 0.00 36.38 31.33 2duw s VAL 120 CO -0.03 0.48 0.05 -0.69 -3.33 0.00 0.00 175.10 171.58 2duw s VAL 121 N 0.04 0.85 0.44 2.04 1.01 0.32 -4.96 120.40 120.13 2duw s VAL 121 Ca 0.09 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2duw s VAL 121 Cb -0.11 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.89 2duw s VAL 121 CO -0.00 -0.38 0.49 1.15 0.00 0.00 0.00 175.10 176.35 2duw n MET 122 N 4.90 0.77 -3.12 2.72 0.00 -1.26 -1.73 117.12 119.38 2duw n MET 122 Ca -0.07 -2.52 -0.21 0.00 0.00 0.00 0.00 57.70 54.91 2duw n MET 122 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 33.22 33.68 2duw n MET 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2duw n ASP 123 N -2.23 -4.18 -3.73 3.17 -0.08 -0.87 -4.90 116.55 103.74 2duw n ASP 123 Ca 0.07 -0.26 -0.12 0.00 -1.51 0.00 0.00 54.79 52.97 2duw n ASP 123 Cb 0.47 -3.45 -0.11 0.00 2.34 0.00 0.00 41.12 40.37 2duw n ASP 123 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2duw s ARG 124 N -5.77 0.40 -0.07 -0.67 1.81 -1.16 -4.17 118.95 109.33 2duw s ARG 124 Ca 0.31 0.61 0.02 0.00 -1.72 0.00 0.00 55.73 54.95 2duw s ARG 124 Cb -0.16 0.11 0.01 0.00 -0.45 0.00 0.00 34.95 34.46 2duw s ARG 124 CO 0.38 -0.10 -0.14 0.00 -0.68 0.00 0.00 175.30 174.76 2duw h PRO 126 N 6.96 0.00 -0.90 0.00 0.13 -1.97 -2.09 132.00 134.14 2duw h PRO 126 Ca -0.29 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.93 2duw h PRO 126 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2duw h PRO 126 CO 0.47 0.07 0.55 0.00 -0.23 0.00 0.00 178.00 178.86 2duw h ALA 127 N 1.93 1.28 0.00 -0.56 0.00 -1.99 0.20 119.26 120.12 2duw h ALA 127 Ca -0.00 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2duw h ALA 127 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2duw h ALA 127 CO 0.01 0.23 -2.09 -0.89 0.00 0.00 0.00 179.25 176.51 2duw n ILE 128 N -4.64 0.66 -0.07 0.00 5.41 -1.17 -4.28 119.36 115.26 2duw n ILE 128 Ca 0.15 -0.66 -0.14 0.00 1.00 0.00 0.00 62.75 63.10 2duw n ILE 128 Cb 0.25 -0.25 -0.06 0.00 -0.71 0.00 0.00 39.64 38.88 2duw n ILE 128 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2duw h GLU 129 N 0.00 0.58 0.30 0.38 4.39 -1.10 -2.43 114.58 116.70 2duw h GLU 129 Ca -0.23 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2duw h GLU 129 Cb 1.54 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.19 2duw h GLU 129 CO 0.02 0.93 -0.40 1.25 -1.16 0.00 0.00 179.01 179.64 2duw h LEU 130 N 0.27 -1.13 0.00 1.33 5.85 -0.82 -1.00 115.31 119.82 2duw h LEU 130 Ca 0.03 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2duw h LEU 130 Cb 0.86 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2duw h LEU 130 CO 0.07 -0.53 0.00 -0.81 -0.34 0.00 0.00 178.44 176.83 2duw n PRO 131 N -5.48 0.28 0.07 5.25 -0.04 -1.24 0.23 135.00 134.07 2duw n PRO 131 Ca -0.09 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 2duw n PRO 131 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 2duw n PRO 131 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2duw h ARG 132 N 0.00 0.20 0.00 0.54 9.65 -0.66 -2.68 114.38 121.43 2duw h ARG 132 Ca 0.00 -0.34 -0.12 0.00 -1.10 0.00 0.00 59.98 58.42 2duw h ARG 132 Cb 0.10 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 2duw h ARG 132 CO 0.00 1.08 -1.47 1.28 2.80 0.00 0.00 179.97 183.66 2duw n LEU 133 N -3.43 0.25 -0.03 3.80 7.99 -1.05 -4.69 117.00 119.84 2duw n LEU 133 Ca -0.11 -0.00 0.03 0.00 -0.01 0.00 0.00 56.01 55.91 2duw n LEU 133 Cb 1.02 0.13 -0.15 0.00 -0.11 0.00 0.00 43.42 44.31 2duw n LEU 133 CO 0.51 0.21 -0.80 0.61 -1.51 0.00 0.00 177.39 176.40 2duw n GLY 134 N 2.62 -1.04 2.32 -0.72 0.00 0.14 -4.98 105.19 103.53 2duw n GLY 134 Ca -0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 2duw n GLY 134 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2duw n LEU 135 N -2.50 -1.63 -4.30 0.99 -0.00 -1.01 -4.92 117.00 103.63 2duw n LEU 135 Ca -0.14 0.05 -0.33 0.00 -0.00 0.00 0.00 56.01 55.59 2duw n LEU 135 Cb 0.78 -2.34 0.13 0.00 -0.00 0.00 0.00 43.42 42.00 2duw n LEU 135 CO 0.44 -0.27 -0.49 0.00 -0.00 0.00 0.00 177.39 177.08 2duw n ALA 136 N -1.29 -3.64 0.72 1.96 0.00 -1.26 -4.91 120.51 112.09 2duw n ALA 136 Ca -0.18 -0.92 0.06 0.00 0.00 0.00 0.00 53.44 52.39 2duw n ALA 136 Cb 0.62 -1.58 0.34 0.00 0.00 0.00 0.00 19.45 18.84 2duw n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13