#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c n VAL 2 N 0.00 0.00 -3.28 3.17 3.14 -1.07 -4.83 118.33 115.46 3e1c n VAL 2 Ca 0.00 0.00 -0.46 0.00 -2.96 0.00 0.00 64.34 60.92 3e1c n VAL 2 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 3e1c n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3e1c s THR 3 N -0.21 5.20 -0.89 1.55 2.01 0.37 -0.07 115.64 123.59 3e1c s THR 3 Ca 0.00 -1.54 -0.25 0.00 0.31 0.00 0.00 61.69 60.22 3e1c s THR 3 Cb 0.00 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 3e1c s THR 3 CO 0.00 -0.92 1.88 -0.63 -0.69 0.00 0.00 174.62 174.25 3e1c s ILE 4 N 1.59 3.50 -0.21 1.82 -1.09 0.61 -1.71 121.20 125.72 3e1c s ILE 4 Ca 0.06 -0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 57.89 3e1c s ILE 4 Cb -0.27 -4.13 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 3e1c s ILE 4 CO 0.02 -1.07 0.61 -0.60 -1.23 0.00 0.00 174.94 172.67 3e1c s ARG 5 N 6.76 0.75 -0.38 2.79 3.52 -0.82 -2.94 118.95 128.63 3e1c s ARG 5 Ca 0.67 0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 56.75 3e1c s ARG 5 Cb -0.06 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.66 3e1c s ARG 5 CO -0.00 -0.11 1.95 -0.51 -0.81 0.00 0.00 175.30 175.82 3e1c s LEU 6 N 0.12 3.44 0.12 -0.88 1.43 -1.26 -2.05 118.68 119.60 3e1c s LEU 6 Ca -0.02 1.21 -0.35 0.00 -1.03 0.00 0.00 54.13 53.95 3e1c s LEU 6 Cb -0.04 -3.23 -0.17 0.00 0.03 0.00 0.00 46.19 42.78 3e1c s LEU 6 CO 0.02 -2.00 1.07 0.00 0.23 0.00 0.00 176.35 175.67 3e1c n ALA 7 N 11.60 -1.86 0.86 4.21 0.00 -0.88 -4.76 120.51 129.68 3e1c n ALA 7 Ca 0.25 0.50 -0.01 0.00 0.00 0.00 0.00 53.44 54.18 3e1c n ALA 7 Cb 0.48 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 18.04 3e1c n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3e1c n ARG 8 N 1.68 1.12 -0.49 0.00 1.74 -1.26 -4.71 116.66 114.74 3e1c n ARG 8 Ca 0.17 -0.19 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 3e1c n ARG 8 Cb 0.20 -1.18 0.24 0.00 -1.02 0.00 0.00 32.46 30.70 3e1c n ARG 8 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3e1c n HIS 9 N 0.32 -1.82 -2.88 -1.55 -0.00 -1.26 -4.22 115.22 103.81 3e1c n HIS 9 Ca 0.03 -0.19 -0.09 0.00 0.46 0.00 0.00 57.72 57.93 3e1c n HIS 9 Cb 0.52 -1.58 0.04 0.00 -0.12 0.00 0.00 29.99 28.85 3e1c n HIS 9 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3e1c n GLY 10 N 1.54 -0.83 5.07 1.57 0.00 -1.26 -4.84 105.19 106.44 3e1c n GLY 10 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3e1c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1c n ALA 11 N -2.61 0.00 -2.42 4.61 0.00 -1.26 -4.80 120.51 114.03 3e1c n ALA 11 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 3e1c n ALA 11 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3e1c n ALA 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3e1c s LYS 12 N 0.00 3.15 0.37 0.00 3.01 -1.26 -5.04 119.74 119.96 3e1c s LYS 12 Ca 0.00 -0.57 0.11 0.00 -1.01 0.00 0.00 55.97 54.49 3e1c s LYS 12 Cb 0.00 -2.64 0.71 0.00 -1.01 0.00 0.00 37.83 34.89 3e1c s LYS 12 CO 0.00 -0.12 1.84 -0.22 0.51 0.00 0.00 175.35 177.36 3e1c h LYS 13 N 0.57 0.12 -6.92 1.68 3.64 -1.99 -3.45 116.57 110.23 3e1c h LYS 13 Ca -0.47 -0.04 -0.54 0.00 -1.27 0.00 0.00 60.65 58.34 3e1c h LYS 13 Cb 1.25 -0.01 0.10 0.00 -0.41 0.00 0.00 32.23 33.16 3e1c h LYS 13 CO 0.57 0.41 0.79 1.03 -2.27 0.00 0.00 179.45 179.97 3e1c s ARG 14 N -4.39 4.12 -0.78 1.90 0.52 -1.26 -4.92 118.95 114.14 3e1c s ARG 14 Ca -0.04 2.55 -0.06 0.00 -0.52 0.00 0.00 55.73 57.66 3e1c s ARG 14 Cb 0.15 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 3e1c s ARG 14 CO 0.73 -0.53 2.95 -0.35 0.02 0.00 0.00 175.30 178.12 3e1c n PRO 15 N 0.74 3.09 -3.00 3.54 -0.04 -1.26 -4.66 135.00 133.40 3e1c n PRO 15 Ca 0.02 -2.23 -0.44 0.00 -0.04 0.00 0.00 63.50 60.81 3e1c n PRO 15 Cb 0.39 -2.36 -0.01 0.00 -0.04 0.00 0.00 33.50 31.48 3e1c n PRO 15 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3e1c s PHE 16 N -0.07 3.41 0.05 0.54 2.19 -1.26 -4.68 117.98 118.17 3e1c s PHE 16 Ca 0.62 -1.83 -0.15 0.00 0.33 0.00 0.00 56.93 55.90 3e1c s PHE 16 Cb 0.28 -4.22 0.03 0.00 -1.31 0.00 0.00 43.02 37.79 3e1c s PHE 16 CO -0.10 -1.37 0.34 1.52 1.83 0.00 0.00 175.22 177.45 3e1c s TYR 17 N 1.73 -0.16 0.48 10.12 -0.85 -1.26 -4.34 117.35 123.07 3e1c s TYR 17 Ca 0.35 0.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.98 3e1c s TYR 17 Cb -0.05 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 3e1c s TYR 17 CO -0.06 -0.54 0.08 1.14 -1.52 0.00 0.00 175.55 174.66 3e1c s GLN 18 N -2.62 2.15 -0.14 -3.49 -2.07 -1.26 -4.15 119.66 108.08 3e1c s GLN 18 Ca -0.04 -2.20 -0.03 0.00 -1.82 0.00 0.00 55.36 51.26 3e1c s GLN 18 Cb -0.01 -1.70 -0.03 0.00 -1.09 0.00 0.00 33.01 30.19 3e1c s GLN 18 CO -0.04 -0.29 -0.02 0.54 -1.32 0.00 0.00 175.29 174.16 3e1c s VAL 19 N -2.78 4.07 0.09 3.63 0.11 0.15 -2.08 120.40 123.58 3e1c s VAL 19 Ca 0.21 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3e1c s VAL 19 Cb 0.03 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 3e1c s VAL 19 CO 0.12 0.52 -0.07 0.68 -3.33 0.00 0.00 175.10 173.02 3e1c s VAL 20 N -0.00 0.73 -0.35 2.04 -7.23 -0.87 -1.36 120.40 113.35 3e1c s VAL 20 Ca 0.02 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 3e1c s VAL 20 Cb -0.13 -1.45 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 3e1c s VAL 20 CO 0.02 -0.73 0.58 0.54 -0.31 0.00 0.00 175.10 175.20 3e1c s VAL 21 N -3.04 4.95 0.26 1.32 0.11 -1.04 -1.95 120.40 121.01 3e1c s VAL 21 Ca 0.07 0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 59.55 3e1c s VAL 21 Cb 0.01 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.83 3e1c s VAL 21 CO -0.03 -0.25 0.41 0.00 -3.33 0.00 0.00 175.10 171.89 3e1c s ALA 22 N 2.57 0.26 0.36 1.54 0.00 -0.69 -3.56 121.76 122.23 3e1c s ALA 22 Ca 0.22 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 3e1c s ALA 22 Cb -0.15 1.15 -0.13 0.00 0.00 0.00 0.00 23.12 24.00 3e1c s ALA 22 CO 0.14 -0.79 0.86 -0.25 0.00 0.00 0.00 175.76 175.72 3e1c n ASP 23 N -0.57 0.58 0.28 0.00 10.43 -1.26 -0.48 116.55 125.52 3e1c n ASP 23 Ca -0.00 1.06 -0.11 0.00 2.57 0.00 0.00 54.79 58.30 3e1c n ASP 23 Cb 0.63 -1.25 -0.05 0.00 1.84 0.00 0.00 41.12 42.29 3e1c n ASP 23 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 3e1c h SER 24 N 1.47 -0.61 -0.96 -2.24 0.87 -1.98 -3.20 113.55 106.90 3e1c h SER 24 Ca -0.41 0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 59.87 3e1c h SER 24 Cb 1.36 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.44 3e1c h SER 24 CO 0.57 -0.41 0.80 -0.13 -0.53 0.00 0.00 176.83 177.13 3e1c s ARG 25 N -4.44 2.44 -0.66 2.24 0.52 -1.26 -4.91 118.95 112.88 3e1c s ARG 25 Ca -0.10 0.04 -0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3e1c s ARG 25 Cb 0.01 -4.88 -0.10 0.00 0.52 0.00 0.00 34.95 30.50 3e1c s ARG 25 CO 0.31 -3.38 3.11 -1.71 0.02 0.00 0.00 175.30 173.66 3e1c n ASN 26 N 14.38 6.73 -3.78 0.23 2.85 -1.21 -4.96 115.26 129.49 3e1c n ASN 26 Ca 0.37 -2.75 -0.53 0.00 -0.11 0.00 0.00 54.58 51.55 3e1c n ASN 26 Cb 0.48 -1.40 -0.08 0.00 1.24 0.00 0.00 39.78 40.02 3e1c n ASN 26 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3e1c n ALA 27 N 2.28 -1.60 -0.00 5.20 0.00 -1.26 -4.82 120.51 120.32 3e1c n ALA 27 Ca 0.55 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.54 3e1c n ALA 27 Cb 0.58 -1.52 0.55 0.00 0.00 0.00 0.00 19.45 19.07 3e1c n ALA 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3e1c h ARG 28 N 3.62 0.26 0.00 0.00 0.11 -1.99 -2.46 114.38 113.93 3e1c h ARG 28 Ca -0.37 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.69 3e1c h ARG 28 Cb 1.12 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3e1c h ARG 28 CO 0.72 0.18 -0.45 -1.71 0.10 0.00 0.00 179.97 178.81 3e1c n ASN 29 N -4.46 0.69 -3.31 0.08 5.15 -1.26 -4.97 115.26 107.18 3e1c n ASN 29 Ca 0.07 -0.59 -0.32 0.00 -0.60 0.00 0.00 54.58 53.14 3e1c n ASN 29 Cb 0.34 1.04 -0.02 0.00 -0.53 0.00 0.00 39.78 40.61 3e1c n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3e1c n GLY 30 N 1.28 3.62 1.84 8.20 0.00 -0.93 -4.75 105.19 114.45 3e1c n GLY 30 Ca 0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3e1c n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1c n ARG 31 N 4.33 -0.66 -4.30 1.61 0.63 -1.26 -4.87 116.66 112.14 3e1c n ARG 31 Ca 0.59 0.47 -0.16 0.00 -0.92 0.00 0.00 57.85 57.83 3e1c n ARG 31 Cb 0.21 -1.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.02 3e1c n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3e1c s PHE 32 N -0.07 1.49 -0.05 -0.14 -0.71 -1.26 -4.66 117.98 112.57 3e1c s PHE 32 Ca 0.00 -0.66 -0.00 0.00 -1.04 0.00 0.00 56.93 55.23 3e1c s PHE 32 Cb 0.00 -0.72 -0.00 0.00 -1.21 0.00 0.00 43.02 41.09 3e1c s PHE 32 CO 0.00 0.22 0.00 0.82 -1.34 0.00 0.00 175.22 174.92 3e1c h ILE 33 N 2.71 0.00 -2.66 -4.49 2.04 -1.95 -3.49 117.51 109.67 3e1c h ILE 33 Ca -0.37 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 3e1c h ILE 33 Cb 1.21 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.10 3e1c h ILE 33 CO 0.62 0.00 -0.05 -1.83 0.00 0.00 0.00 178.15 176.89 3e1c s GLU 34 N -1.30 0.90 -0.73 2.37 -1.05 -1.26 -5.06 118.70 112.57 3e1c s GLU 34 Ca -0.00 -0.09 -0.27 0.00 -0.15 0.00 0.00 54.97 54.46 3e1c s GLU 34 Cb 0.00 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 3e1c s GLU 34 CO 0.00 -0.28 1.32 -0.98 0.95 0.00 0.00 175.26 176.27 3e1c s ARG 35 N -1.67 3.15 0.05 -4.83 1.70 -1.26 -2.48 118.95 113.61 3e1c s ARG 35 Ca -0.10 -0.18 0.22 0.00 -0.47 0.00 0.00 55.73 55.21 3e1c s ARG 35 Cb -0.02 -4.19 -0.22 0.00 -0.57 0.00 0.00 34.95 29.95 3e1c s ARG 35 CO 0.04 -2.19 0.68 1.33 -1.08 0.00 0.00 175.30 174.08 3e1c n VAL 36 N 6.44 0.23 -3.48 4.99 0.24 -0.96 -5.00 118.33 120.79 3e1c n VAL 36 Ca 0.04 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3e1c n VAL 36 Cb 0.49 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3e1c n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3e1c n GLY 37 N 1.23 1.12 3.14 7.63 0.00 -0.46 -1.64 105.19 116.20 3e1c n GLY 37 Ca -0.03 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 3e1c n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3e1c s PHE 38 N -4.64 0.11 -0.41 1.61 -0.12 -0.53 -0.68 117.98 113.33 3e1c s PHE 38 Ca 0.00 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 3e1c s PHE 38 Cb 0.00 -0.08 0.13 0.00 -0.63 0.00 0.00 43.02 42.44 3e1c s PHE 38 CO 0.00 -0.37 0.22 0.12 -0.05 0.00 0.00 175.22 175.14 3e1c s PHE 39 N -2.30 1.72 0.27 3.49 5.36 -1.26 -3.57 117.98 121.69 3e1c s PHE 39 Ca -0.07 -2.20 -0.30 0.00 -0.96 0.00 0.00 56.93 53.39 3e1c s PHE 39 Cb -0.03 -1.69 -0.12 0.00 -0.34 0.00 0.00 43.02 40.84 3e1c s PHE 39 CO -0.03 -0.80 1.58 0.09 -1.46 0.00 0.00 175.22 174.60 3e1c n ASN 40 N 3.78 3.70 -0.03 6.13 3.02 -0.91 -4.69 115.26 126.26 3e1c n ASN 40 Ca 0.08 1.14 0.13 0.00 -0.03 0.00 0.00 54.58 55.89 3e1c n ASN 40 Cb 0.36 -1.56 0.55 0.00 -0.61 0.00 0.00 39.78 38.51 3e1c n ASN 40 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3e1c h PRO 41 N 4.93 0.29 -3.38 3.52 0.13 -1.89 -3.44 132.00 132.15 3e1c h PRO 41 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3e1c h PRO 41 Cb 1.23 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3e1c h PRO 41 CO 0.81 0.19 0.01 0.96 -0.23 0.00 0.00 178.00 179.74 3e1c s ILE 42 N -5.29 0.01 -0.93 -3.56 -5.25 -1.26 -4.94 121.20 99.99 3e1c s ILE 42 Ca -0.07 -1.10 -0.24 0.00 -0.99 0.00 0.00 60.65 58.24 3e1c s ILE 42 Cb 0.19 -1.94 -0.06 0.00 2.95 0.00 0.00 42.46 43.60 3e1c s ILE 42 CO 0.74 -0.05 1.98 0.00 -1.79 0.00 0.00 174.94 175.82 3e1c s ALA 43 N -3.95 1.60 0.00 2.27 0.00 -1.26 -4.71 121.76 115.71 3e1c s ALA 43 Ca 0.15 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3e1c s ALA 43 Cb -0.02 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.53 3e1c s ALA 43 CO 0.04 -4.96 0.12 -1.13 0.00 0.00 0.00 175.76 169.83 3e1c n SER 44 N 14.41 0.23 0.00 0.00 3.41 -1.26 -5.06 113.62 125.35 3e1c n SER 44 Ca 0.41 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3e1c n SER 44 Cb 0.47 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3e1c n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e1c n GLU 45 N -0.25 0.00 0.25 4.33 1.02 -1.26 -4.83 120.64 119.90 3e1c n GLU 45 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 3e1c n GLU 45 Cb 0.06 -2.19 0.86 0.00 -0.02 0.00 0.00 31.44 30.16 3e1c n GLU 45 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3e1c h LYS 46 N 0.00 0.00 -4.64 3.49 2.10 -1.97 -3.45 116.57 112.11 3e1c h LYS 46 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 3e1c h LYS 46 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 3e1c h LYS 46 CO 0.00 0.00 -0.60 -2.00 -2.00 0.00 0.00 179.45 174.85 3e1c s GLU 47 N -3.82 1.28 -0.38 0.07 2.56 -1.26 -5.12 118.70 112.03 3e1c s GLU 47 Ca -0.03 -1.69 -0.40 0.00 0.00 0.00 0.00 54.97 52.85 3e1c s GLU 47 Cb 0.09 0.27 -0.15 0.00 2.00 0.00 0.00 34.13 36.34 3e1c s GLU 47 CO 0.29 -0.43 2.02 -1.91 -0.56 0.00 0.00 175.26 174.67 3e1c n GLU 48 N -0.32 0.75 0.00 4.30 4.07 -1.26 -4.92 120.64 123.26 3e1c n GLU 48 Ca 0.03 0.24 0.06 0.00 -0.06 0.00 0.00 57.16 57.42 3e1c n GLU 48 Cb 0.65 -2.05 -0.01 0.00 -0.06 0.00 0.00 31.44 29.97 3e1c n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3e1c n GLY 49 N 5.99 -0.11 0.00 8.31 0.00 -1.26 -4.68 105.19 113.44 3e1c n GLY 49 Ca 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3e1c n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e1c n THR 50 N -0.36 0.00 -0.91 2.61 -2.24 -1.25 -2.14 114.28 110.00 3e1c n THR 50 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 3e1c n THR 50 Cb 0.24 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 3e1c n THR 50 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3e1c n ARG 51 N 0.00 0.00 -2.46 -0.78 3.00 -1.23 -4.64 116.66 110.55 3e1c n ARG 51 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 3e1c n ARG 51 Cb 0.16 -0.98 0.05 0.00 0.00 0.00 0.00 32.46 31.70 3e1c n ARG 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3e1c s LEU 52 N 5.05 3.08 -0.17 6.15 1.43 -1.26 -1.45 118.68 131.51 3e1c s LEU 52 Ca 0.84 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 3e1c s LEU 52 Cb -0.88 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 42.46 3e1c s LEU 52 CO 0.36 -1.36 -0.02 -0.62 0.23 0.00 0.00 176.35 174.94 3e1c s ASP 53 N -4.48 2.87 0.16 2.29 2.15 -0.65 -4.93 116.67 114.08 3e1c s ASP 53 Ca 0.59 -0.72 -0.17 0.00 0.43 0.00 0.00 52.55 52.69 3e1c s ASP 53 Cb -0.10 -0.82 0.09 0.00 -0.30 0.00 0.00 42.92 41.79 3e1c s ASP 53 CO 0.41 -0.22 1.69 0.25 -0.17 0.00 0.00 175.17 177.12 3e1c h LEU 54 N 8.15 -0.25 0.00 -1.34 5.85 -1.98 0.28 115.31 126.02 3e1c h LEU 54 Ca -0.21 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3e1c h LEU 54 Cb 1.11 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3e1c h LEU 54 CO 0.37 -0.08 0.05 0.47 -0.34 0.00 0.00 178.44 178.91 3e1c n ASP 55 N -5.24 0.00 -0.02 1.25 9.92 -1.26 -1.79 116.55 119.40 3e1c n ASP 55 Ca 0.02 0.26 -0.06 0.00 -0.53 0.00 0.00 54.79 54.47 3e1c n ASP 55 Cb 0.20 -0.26 -0.02 0.00 -0.64 0.00 0.00 41.12 40.41 3e1c n ASP 55 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3e1c n ARG 56 N -1.23 0.16 -0.26 -1.24 1.74 -0.37 -4.80 116.66 110.67 3e1c n ARG 56 Ca 0.00 0.07 -0.06 0.00 -0.77 0.00 0.00 57.85 57.09 3e1c n ARG 56 Cb 0.05 -0.78 0.05 0.00 -1.02 0.00 0.00 32.46 30.77 3e1c n ARG 56 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3e1c h ILE 57 N -0.29 1.22 -0.18 0.55 2.10 -1.04 -3.38 117.51 116.49 3e1c h ILE 57 Ca -0.13 -0.58 -0.10 0.00 1.08 0.00 0.00 64.86 65.14 3e1c h ILE 57 Cb 0.84 0.31 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3e1c h ILE 57 CO -0.08 0.25 -0.31 0.00 -1.08 0.00 0.00 178.15 176.93 3e1c h ALA 58 N 1.19 1.13 0.00 0.18 0.00 -1.59 0.12 119.26 120.29 3e1c h ALA 58 Ca 0.25 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3e1c h ALA 58 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3e1c h ALA 58 CO -0.04 0.55 -0.48 1.12 0.00 0.00 0.00 179.25 180.40 3e1c h HIS 59 N 0.32 0.00 0.15 0.00 2.07 -1.81 -0.49 115.15 115.38 3e1c h HIS 59 Ca 0.04 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.27 3e1c h HIS 59 Cb 0.71 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.70 3e1c h HIS 59 CO 0.02 0.48 -1.36 -1.49 -3.07 0.00 0.00 177.93 172.52 3e1c h TRP 60 N 0.00 0.59 -0.72 6.12 4.06 -0.98 -2.92 115.95 122.10 3e1c h TRP 60 Ca -0.00 -0.43 0.13 0.00 2.06 0.00 0.00 58.89 60.64 3e1c h TRP 60 Cb 0.96 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.01 3e1c h TRP 60 CO 0.00 1.36 0.30 0.28 -3.56 0.00 0.00 178.44 176.82 3e1c h VAL 61 N 0.09 0.71 0.00 1.49 2.07 -1.28 -1.91 116.25 117.42 3e1c h VAL 61 Ca -0.18 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3e1c h VAL 61 Cb 2.02 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3e1c h VAL 61 CO 0.21 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.50 3e1c n GLY 62 N -1.32 -0.04 1.01 2.17 0.00 -0.20 -3.71 105.19 103.10 3e1c n GLY 62 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3e1c n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3e1c n GLN 63 N -0.38 0.00 0.00 1.61 0.00 -0.74 -4.96 117.38 112.90 3e1c n GLN 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3e1c n GLN 63 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 29.81 3e1c n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3e1c n GLY 64 N 2.45 0.00 3.67 1.69 0.00 -1.13 -5.12 105.19 106.75 3e1c n GLY 64 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3e1c n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1c s ALA 65 N 0.00 1.44 0.37 4.61 0.00 -1.05 -5.02 121.76 122.11 3e1c s ALA 65 Ca 0.00 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.53 3e1c s ALA 65 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3e1c s ALA 65 CO 0.00 -2.71 -0.03 0.95 0.00 0.00 0.00 175.76 173.97 3e1c s THR 66 N -2.67 1.96 -0.02 0.00 -4.23 0.90 -4.92 115.64 106.65 3e1c s THR 66 Ca 0.66 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3e1c s THR 66 Cb -0.22 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.83 3e1c s THR 66 CO 0.58 -0.10 0.04 -0.51 -0.54 0.00 0.00 174.62 174.09 3e1c s ILE 67 N -2.77 -0.02 0.34 2.99 2.07 -1.26 -0.29 121.20 122.26 3e1c s ILE 67 Ca 0.34 0.09 -0.26 0.00 -1.41 0.00 0.00 60.65 59.41 3e1c s ILE 67 Cb 0.07 -0.08 -0.09 0.00 0.13 0.00 0.00 42.46 42.49 3e1c s ILE 67 CO 0.17 0.04 1.02 -0.55 -1.91 0.00 0.00 174.94 173.70 3e1c s SER 68 N 0.47 7.08 0.00 4.50 0.15 -1.15 -4.85 113.70 119.90 3e1c s SER 68 Ca -0.04 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.62 3e1c s SER 68 Cb -0.05 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3e1c s SER 68 CO -0.02 -0.26 0.39 -0.67 1.20 0.00 0.00 173.24 173.88 3e1c n ASP 69 N 0.44 0.00 -0.46 5.45 4.64 -1.26 -0.33 116.55 125.03 3e1c n ASP 69 Ca 0.03 0.00 0.06 0.00 -1.38 0.00 0.00 54.79 53.50 3e1c n ASP 69 Cb 0.49 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.61 3e1c n ASP 69 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3e1c n ARG 70 N -0.88 0.90 0.00 -0.67 3.00 -1.26 -4.70 116.66 113.05 3e1c n ARG 70 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 57.85 56.69 3e1c n ARG 70 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.24 3e1c n ARG 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3e1c n VAL 71 N 0.55 0.00 -0.36 1.55 0.31 -0.29 -4.95 118.33 115.15 3e1c n VAL 71 Ca 0.07 0.00 0.34 0.00 -0.01 0.00 0.00 64.34 64.74 3e1c n VAL 71 Cb 0.30 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 33.83 3e1c n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3e1c n ALA 72 N -1.22 1.11 0.88 3.52 0.00 0.55 -1.36 120.51 123.99 3e1c n ALA 72 Ca 0.00 0.96 0.12 0.00 0.00 0.00 0.00 53.44 54.52 3e1c n ALA 72 Cb 0.00 -1.01 0.27 0.00 0.00 0.00 0.00 19.45 18.71 3e1c n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c n ALA 73 N -2.35 3.22 0.06 0.00 0.00 -1.26 -4.00 120.51 116.17 3e1c n ALA 73 Ca 0.38 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 3e1c n ALA 73 Cb 1.35 -1.18 0.11 0.00 0.00 0.00 0.00 19.45 19.72 3e1c n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3e1c h LEU 74 N 0.00 0.40 -1.28 0.00 6.46 -1.59 -2.71 115.31 116.59 3e1c h LEU 74 Ca 0.00 -0.22 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 3e1c h LEU 74 Cb 0.57 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3e1c h LEU 74 CO 0.00 0.88 -0.24 -0.29 -0.62 0.00 0.00 178.44 178.17 3e1c h ILE 75 N 0.27 0.65 -0.43 4.05 2.10 -1.69 -2.96 117.51 119.50 3e1c h ILE 75 Ca 0.00 -1.07 -0.10 0.00 1.08 0.00 0.00 64.86 64.78 3e1c h ILE 75 Cb 1.07 1.69 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 3e1c h ILE 75 CO 0.09 0.23 -0.12 0.50 -1.08 0.00 0.00 178.15 177.77 3e1c h LYS 76 N 0.00 0.78 -0.03 2.19 3.64 -1.64 -3.36 116.57 118.16 3e1c h LYS 76 Ca -0.00 -0.27 -0.22 0.00 -1.27 0.00 0.00 60.65 58.89 3e1c h LYS 76 Cb 0.68 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3e1c h LYS 76 CO 0.03 0.87 -0.89 1.49 -2.27 0.00 0.00 179.45 178.68 3e1c h GLU 77 N 0.70 0.45 0.00 1.90 4.81 -1.42 -3.22 114.58 117.80 3e1c h GLU 77 Ca 0.12 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3e1c h GLU 77 Cb 0.61 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3e1c h GLU 77 CO 0.04 1.10 0.00 1.55 -0.73 0.00 0.00 179.01 180.97 3e1c n VAL 78 N -3.78 1.46 -3.33 0.32 3.14 -1.17 -4.90 118.33 110.07 3e1c n VAL 78 Ca -0.06 0.62 -0.16 0.00 -2.96 0.00 0.00 64.34 61.78 3e1c n VAL 78 Cb 0.80 -1.62 0.08 0.00 -1.06 0.00 0.00 33.84 32.04 3e1c n VAL 78 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3e1c n ASN 79 N -1.92 -4.86 0.00 6.55 3.02 -1.22 -4.84 115.26 111.99 3e1c n ASN 79 Ca -0.01 -0.68 0.07 0.00 -0.03 0.00 0.00 54.58 53.93 3e1c n ASN 79 Cb 0.02 -5.14 0.36 0.00 -0.61 0.00 0.00 39.78 34.42 3e1c n ASN 79 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3e1c n LYS 80 N -3.59 0.18 0.00 3.52 2.85 -1.26 -2.85 118.16 117.01 3e1c n LYS 80 Ca -0.15 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3e1c n LYS 80 Cb 0.64 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 3e1c n LYS 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1c n ALA 81 N -1.31 0.96 0.00 0.58 0.00 -1.26 -5.23 120.51 114.25 3e1c n ALA 81 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3e1c n ALA 81 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3e1c n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50