#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1c n PHE 2 N 0.00 -4.52 -3.20 1.39 3.72 -1.26 -4.92 117.46 108.67 1v1c n PHE 2 Ca 0.00 2.64 -0.44 0.00 -0.05 0.00 0.00 57.45 59.60 1v1c n PHE 2 Cb 0.00 -3.89 -0.06 0.00 -0.94 0.00 0.00 39.48 34.59 1v1c n PHE 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1v1c s ASP 3 N -0.64 6.20 0.13 4.37 -1.08 -1.26 -4.88 116.67 119.51 1v1c s ASP 3 Ca -0.24 -1.19 -0.26 0.00 -0.52 0.00 0.00 52.55 50.35 1v1c s ASP 3 Cb 0.02 -2.27 -0.07 0.00 -1.46 0.00 0.00 42.92 39.14 1v1c s ASP 3 CO 0.64 -0.90 0.79 -0.63 0.52 0.00 0.00 175.17 175.59 1v1c s ILE 4 N 2.39 4.46 0.27 4.11 1.01 -1.26 -1.41 121.20 130.77 1v1c s ILE 4 Ca 0.11 1.72 0.11 0.00 0.00 0.00 0.00 60.65 62.60 1v1c s ILE 4 Cb -0.22 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1v1c s ILE 4 CO 0.09 0.47 -0.19 -0.31 0.00 0.00 0.00 174.94 175.00 1v1c s TYR 5 N -0.79 2.21 -0.09 3.97 2.02 -0.62 -2.90 117.35 121.16 1v1c s TYR 5 Ca 0.37 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1v1c s TYR 5 Cb -0.23 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1v1c s TYR 5 CO 0.26 0.67 -0.20 0.54 -1.57 0.00 0.00 175.55 175.25 1v1c s VAL 6 N -2.57 1.75 -0.21 0.71 0.11 -1.22 -2.41 120.40 116.56 1v1c s VAL 6 Ca 0.29 -0.84 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 1v1c s VAL 6 Cb -0.04 -1.53 -0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1v1c s VAL 6 CO 0.14 0.49 0.93 -0.69 -3.33 0.00 0.00 175.10 172.64 1v1c s VAL 7 N 0.41 4.78 -0.13 2.04 1.01 -1.15 -3.58 120.40 123.79 1v1c s VAL 7 Ca -0.16 1.80 0.17 0.00 0.00 0.00 0.00 61.98 63.79 1v1c s VAL 7 Cb -0.17 -4.21 0.42 0.00 0.00 0.00 0.00 36.38 32.41 1v1c s VAL 7 CO 0.07 -0.08 1.20 0.35 0.00 0.00 0.00 175.10 176.63 1v1c n THR 8 N 5.09 1.34 -1.21 3.92 -2.24 -1.25 -0.81 114.28 119.10 1v1c n THR 8 Ca 0.08 -2.34 0.00 0.00 -2.27 0.00 0.00 64.05 59.52 1v1c n THR 8 Cb 0.47 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1v1c n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v1c n ALA 9 N -0.50 1.01 -2.77 6.98 0.00 -1.26 -5.08 120.51 118.89 1v1c n ALA 9 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1v1c n ALA 9 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.30 1v1c n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1v1c n ASP 10 N 0.00 -5.53 -4.44 0.00 9.92 -1.26 -4.86 116.55 110.38 1v1c n ASP 10 Ca 0.00 1.25 -0.44 0.00 -0.53 0.00 0.00 54.79 55.07 1v1c n ASP 10 Cb 0.50 -4.57 -0.01 0.00 -0.64 0.00 0.00 41.12 36.40 1v1c n ASP 10 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1v1c s TYR 11 N -1.15 3.53 -0.30 1.24 5.04 -1.22 -4.93 117.35 119.57 1v1c s TYR 11 Ca -0.09 -2.06 -0.01 0.00 -2.44 0.00 0.00 57.07 52.48 1v1c s TYR 11 Cb 0.01 -4.23 0.06 0.00 0.35 0.00 0.00 41.96 38.14 1v1c s TYR 11 CO 0.63 -1.34 -0.01 -0.51 -1.34 0.00 0.00 175.55 172.98 1v1c s LEU 12 N 1.39 3.92 0.27 6.97 2.01 -1.26 -2.25 118.68 129.72 1v1c s LEU 12 Ca 0.38 -1.38 -0.31 0.00 0.01 0.00 0.00 54.13 52.84 1v1c s LEU 12 Cb -0.04 -1.68 -0.12 0.00 0.01 0.00 0.00 46.19 44.36 1v1c s LEU 12 CO -0.03 -0.27 1.60 -2.65 1.01 0.00 0.00 176.35 176.02 1v1c n PRO 13 N 4.57 2.64 -3.40 1.29 -0.02 -1.26 -4.96 135.00 133.86 1v1c n PRO 13 Ca -0.12 0.94 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 1v1c n PRO 13 Cb 0.43 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1v1c n PRO 13 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1v1c s LEU 14 N -0.06 6.16 0.00 2.45 1.43 -1.26 -4.96 118.68 122.44 1v1c s LEU 14 Ca 0.67 -2.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 1v1c s LEU 14 Cb -0.52 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1v1c s LEU 14 CO 0.45 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1v1c n GLY 15 N 4.71 -0.24 3.38 -3.19 0.00 -1.26 -4.91 105.19 103.68 1v1c n GLY 15 Ca -0.04 -2.22 -0.45 0.00 0.00 0.00 0.00 46.02 43.31 1v1c n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v1c s ALA 16 N -2.00 3.47 0.14 4.61 0.00 -1.26 -5.03 121.76 121.69 1v1c s ALA 16 Ca 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 51.96 49.62 1v1c s ALA 16 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1v1c s ALA 16 CO 0.00 -2.44 0.02 -1.21 0.00 0.00 0.00 175.76 172.13 1v1c s GLU 17 N 2.46 2.51 0.05 0.00 8.01 -1.26 -5.13 118.70 125.34 1v1c s GLU 17 Ca 0.15 -0.99 0.02 0.00 0.01 0.00 0.00 54.97 54.16 1v1c s GLU 17 Cb -0.20 -2.45 -0.04 0.00 -4.31 0.00 0.00 34.13 27.13 1v1c s GLU 17 CO 0.03 0.49 0.09 1.14 0.01 0.00 0.00 175.26 177.02 1v1c s GLN 18 N -2.74 3.00 -1.90 1.61 0.00 -1.26 -4.37 119.66 114.00 1v1c s GLN 18 Ca 0.27 -0.60 0.00 0.00 -0.00 0.00 0.00 55.36 55.03 1v1c s GLN 18 Cb -0.10 -2.80 0.00 0.00 0.00 0.00 0.00 33.01 30.11 1v1c s GLN 18 CO 0.19 0.60 0.00 -0.25 0.00 0.00 0.00 175.29 175.83 1v1c n ASP 19 N 0.68 -5.55 -4.49 12.60 9.92 -1.26 -4.95 116.55 123.51 1v1c n ASP 19 Ca -0.10 0.44 -0.35 0.00 -0.53 0.00 0.00 54.79 54.26 1v1c n ASP 19 Cb 0.52 -4.65 -0.12 0.00 -0.64 0.00 0.00 41.12 36.23 1v1c n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v1c s ALA 20 N -2.52 3.10 -0.11 2.24 0.00 -1.26 -3.51 121.76 119.70 1v1c s ALA 20 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 1v1c s ALA 20 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1v1c s ALA 20 CO 0.00 -0.08 0.09 -1.50 0.00 0.00 0.00 175.76 174.27 1v1c s ILE 21 N 0.87 5.04 -0.11 0.00 2.07 -1.26 -5.00 121.20 122.80 1v1c s ILE 21 Ca 0.01 0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 58.99 1v1c s ILE 21 Cb -0.14 -3.18 -0.01 0.00 0.13 0.00 0.00 42.46 39.26 1v1c s ILE 21 CO 0.02 0.60 1.00 0.42 -1.91 0.00 0.00 174.94 175.08 1v1c s THR 22 N -0.88 4.78 0.01 4.00 -4.23 -1.26 -4.85 115.64 113.21 1v1c s THR 22 Ca 0.14 2.03 0.05 0.00 -1.18 0.00 0.00 61.69 62.73 1v1c s THR 22 Cb -0.12 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.40 1v1c s THR 22 CO 0.03 -0.01 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.18 1v1c s LEU 23 N 2.08 2.10 -0.14 4.79 1.43 -0.96 -5.09 118.68 122.90 1v1c s LEU 23 Ca 0.48 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1v1c s LEU 23 Cb -0.18 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1v1c s LEU 23 CO 0.17 0.15 0.01 -0.13 0.23 0.00 0.00 176.35 176.78 1v1c s ARG 24 N -0.75 3.53 -0.26 1.70 0.52 -1.26 -3.38 118.95 119.05 1v1c s ARG 24 Ca 0.05 -0.41 -0.36 0.00 -0.52 0.00 0.00 55.73 54.49 1v1c s ARG 24 Cb -0.07 -2.97 -0.12 0.00 0.52 0.00 0.00 34.95 32.30 1v1c s ARG 24 CO 0.00 0.42 2.00 -1.91 0.02 0.00 0.00 175.30 175.84 1v1c n GLU 25 N 3.02 1.43 0.00 3.54 0.00 -1.26 -2.03 120.64 125.33 1v1c n GLU 25 Ca -0.18 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.45 1v1c n GLU 25 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.51 1v1c n GLU 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1v1c n GLY 26 N 5.39 1.57 3.90 8.31 0.00 0.01 -4.97 105.19 119.40 1v1c n GLY 26 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 1v1c n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v1c s GLN 27 N -0.10 3.32 -0.05 1.61 -0.21 -0.86 -4.92 119.66 118.45 1v1c s GLN 27 Ca 0.00 -0.59 0.05 0.00 0.02 0.00 0.00 55.36 54.84 1v1c s GLN 27 Cb 0.00 -2.93 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 1v1c s GLN 27 CO 0.00 0.55 -0.20 0.71 -2.12 0.00 0.00 175.29 174.24 1v1c s TYR 28 N -1.63 2.56 -0.28 0.91 2.02 -1.26 -2.93 117.35 116.75 1v1c s TYR 28 Ca 0.34 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.49 1v1c s TYR 28 Cb -0.12 -1.61 0.10 0.00 -0.40 0.00 0.00 41.96 39.93 1v1c s TYR 28 CO 0.27 -0.01 0.64 0.54 -1.57 0.00 0.00 175.55 175.41 1v1c s VAL 29 N -0.44 -0.53 0.48 0.71 0.11 -1.01 -4.34 120.40 115.38 1v1c s VAL 29 Ca 0.05 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1v1c s VAL 29 Cb -0.12 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.69 1v1c s VAL 29 CO 0.02 0.01 0.96 -1.83 -3.33 0.00 0.00 175.10 170.92 1v1c s GLU 30 N 2.30 4.02 0.05 1.54 1.03 -1.26 -1.58 118.70 124.80 1v1c s GLU 30 Ca -0.07 0.97 -0.22 0.00 0.03 0.00 0.00 54.97 55.68 1v1c s GLU 30 Cb -0.09 -2.17 -0.06 0.00 -0.80 0.00 0.00 34.13 31.01 1v1c s GLU 30 CO -0.19 -0.18 0.65 0.54 -1.33 0.00 0.00 175.26 174.75 1v1c s VAL 31 N -2.48 4.75 0.00 1.83 0.11 -0.50 -3.24 120.40 120.88 1v1c s VAL 31 Ca 0.59 1.38 0.00 0.00 -2.93 0.00 0.00 61.98 61.02 1v1c s VAL 31 Cb -0.10 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1v1c s VAL 31 CO 0.26 0.46 0.00 0.18 -3.33 0.00 0.00 175.10 172.67 1v1c n LEU 32 N 2.29 1.30 -4.66 2.54 4.77 0.31 -4.38 117.00 119.17 1v1c n LEU 32 Ca -0.07 0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 1v1c n LEU 32 Cb 0.50 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1v1c n LEU 32 CO 0.44 -0.14 -0.23 -1.81 -1.33 0.00 0.00 177.39 174.32 1v1c s ASP 33 N -1.67 5.81 -0.46 -1.43 1.01 -1.09 -5.02 116.67 113.82 1v1c s ASP 33 Ca 0.00 0.12 -0.14 0.00 0.71 0.00 0.00 52.55 53.24 1v1c s ASP 33 Cb 0.00 -2.00 0.07 0.00 1.01 0.00 0.00 42.92 42.00 1v1c s ASP 33 CO 0.00 0.17 0.36 0.00 0.21 0.00 0.00 175.17 175.91 1v1c s ALA 34 N 0.40 3.50 -0.10 5.23 0.00 -1.26 -2.00 121.76 127.52 1v1c s ALA 34 Ca 0.05 -2.10 -0.04 0.00 0.00 0.00 0.00 51.96 49.86 1v1c s ALA 34 Cb -0.12 -2.97 0.05 0.00 0.00 0.00 0.00 23.12 20.08 1v1c s ALA 34 CO -0.00 -1.70 0.22 0.00 0.00 0.00 0.00 175.76 174.28 1v1c s ALA 35 N 1.60 -0.43 0.01 0.00 0.00 -1.26 -5.05 121.76 116.62 1v1c s ALA 35 Ca 0.04 0.85 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1v1c s ALA 35 Cb -0.24 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1v1c s ALA 35 CO 0.06 -0.36 0.01 0.72 0.00 0.00 0.00 175.76 176.19 1v1c n HIS 36 N 4.68 -3.97 0.15 0.00 8.25 -1.26 -4.39 115.22 118.67 1v1c n HIS 36 Ca -0.17 2.36 0.19 0.00 -0.26 0.00 0.00 57.72 59.84 1v1c n HIS 36 Cb 0.51 -3.52 0.71 0.00 1.12 0.00 0.00 29.99 28.81 1v1c n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1v1c h PRO 37 N 3.51 0.00 0.25 -0.41 0.11 -2.03 -2.14 132.00 131.29 1v1c h PRO 37 Ca -0.01 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1v1c h PRO 37 Cb 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1v1c h PRO 37 CO 0.00 0.00 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.42 1v1c h LEU 38 N 0.00 -0.83 -7.38 2.35 3.38 -1.98 -3.44 115.31 107.41 1v1c h LEU 38 Ca 0.16 0.08 -0.20 0.00 0.09 0.00 0.00 57.88 58.01 1v1c h LEU 38 Cb 1.14 0.29 -0.29 0.00 0.09 0.00 0.00 40.66 41.89 1v1c h LEU 38 CO -0.00 -0.42 -0.50 0.00 0.09 0.00 0.00 178.44 177.61 1v1c s ARG 39 N -6.03 0.20 0.19 1.13 1.70 -0.80 -4.40 118.95 110.92 1v1c s ARG 39 Ca -0.16 0.48 0.08 0.00 -0.47 0.00 0.00 55.73 55.66 1v1c s ARG 39 Cb 0.07 -0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 1v1c s ARG 39 CO 0.64 -0.15 -0.02 -1.58 -1.08 0.00 0.00 175.30 173.11 1v1c s TRP 40 N 1.10 2.78 -0.24 5.89 0.51 -1.21 -4.55 118.94 123.21 1v1c s TRP 40 Ca -0.08 -0.17 -0.24 0.00 -2.12 0.00 0.00 56.10 53.49 1v1c s TRP 40 Cb -0.09 -1.33 -0.01 0.00 -0.81 0.00 0.00 33.47 31.23 1v1c s TRP 40 CO -0.07 0.53 0.79 -1.17 -0.51 0.00 0.00 176.95 176.52 1v1c s LEU 41 N -3.03 4.08 0.17 2.99 2.96 -0.85 -3.18 118.68 121.82 1v1c s LEU 41 Ca 0.27 0.98 0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1v1c s LEU 41 Cb -0.09 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 1v1c s LEU 41 CO 0.18 -0.48 -0.13 0.68 -1.32 0.00 0.00 176.35 175.27 1v1c s VAL 42 N 2.75 1.48 -0.15 1.68 -7.23 -1.12 -0.53 120.40 117.28 1v1c s VAL 42 Ca 0.33 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1v1c s VAL 42 Cb -0.15 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 34.98 1v1c s VAL 42 CO 0.08 -0.59 0.08 -0.60 -0.31 0.00 0.00 175.10 173.76 1v1c s ARG 43 N -3.42 0.09 0.61 4.82 3.52 -1.20 -1.61 118.95 121.76 1v1c s ARG 43 Ca 0.17 -0.03 -0.17 0.00 -0.13 0.00 0.00 55.73 55.57 1v1c s ARG 43 Cb -0.01 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.73 1v1c s ARG 43 CO 0.04 -0.61 1.14 0.95 -0.81 0.00 0.00 175.30 176.01 1v1c s THR 44 N 2.12 3.06 -0.13 4.11 -4.23 -1.10 -4.35 115.64 115.12 1v1c s THR 44 Ca 0.02 0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1v1c s THR 44 Cb -0.15 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 1v1c s THR 44 CO -0.08 -0.22 1.33 -0.54 -0.54 0.00 0.00 174.62 174.58 1v1c s LYS 45 N -3.66 4.23 0.70 3.99 1.02 -1.26 -4.14 119.74 120.62 1v1c s LYS 45 Ca 0.71 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 58.31 1v1c s LYS 45 Cb -0.24 -3.78 0.02 0.00 -0.52 0.00 0.00 37.83 33.31 1v1c s LYS 45 CO 0.35 -0.71 1.21 -1.25 -0.92 0.00 0.00 175.35 174.03 1v1c s PRO 46 N 3.47 2.32 0.00 -1.68 0.04 -1.26 -4.98 135.00 132.90 1v1c s PRO 46 Ca 0.58 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1v1c s PRO 46 Cb -0.24 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1v1c s PRO 46 CO 0.18 -1.70 0.00 0.25 0.04 0.00 0.00 177.00 175.77 1v1c n THR 47 N -2.47 0.00 -0.12 1.26 -2.24 -0.98 -4.96 114.28 104.77 1v1c n THR 47 Ca 0.14 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1v1c n THR 47 Cb 0.50 -1.85 0.28 0.00 -2.10 0.00 0.00 70.33 67.16 1v1c n THR 47 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1v1c n LYS 48 N -0.18 3.09 0.00 -0.78 2.85 -1.26 -4.16 118.16 117.72 1v1c n LYS 48 Ca 0.00 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.01 1v1c n LYS 48 Cb 0.00 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 1v1c n LYS 48 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1v1c n SER 49 N 0.89 0.00 -3.94 -5.58 3.41 -1.26 -5.11 113.62 102.02 1v1c n SER 49 Ca 0.20 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.58 1v1c n SER 49 Cb 0.71 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.49 1v1c n SER 49 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v1c s SER 50 N 0.00 1.49 0.88 4.04 0.15 -1.26 -5.14 113.70 113.86 1v1c s SER 50 Ca 0.00 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.32 1v1c s SER 50 Cb 0.00 -0.66 0.12 0.00 -1.71 0.00 0.00 66.02 63.78 1v1c s SER 50 CO 0.00 -0.03 1.15 -2.16 1.20 0.00 0.00 173.24 173.40 1v1c s PRO 51 N 0.97 1.27 0.59 5.44 0.04 -1.26 -2.32 135.00 139.73 1v1c s PRO 51 Ca -0.10 1.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 1v1c s PRO 51 Cb -0.15 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1v1c s PRO 51 CO 0.00 -2.44 1.18 0.45 0.04 0.00 0.00 177.00 176.23 1v1c s SER 52 N -2.69 5.32 -0.15 6.66 0.15 -1.26 -4.73 113.70 116.99 1v1c s SER 52 Ca 0.67 2.30 -0.01 0.00 0.70 0.00 0.00 55.95 59.61 1v1c s SER 52 Cb -0.23 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1v1c s SER 52 CO 0.56 -1.50 -0.04 -0.13 1.20 0.00 0.00 173.24 173.33 1v1c s ARG 53 N -3.37 1.30 -0.20 5.44 1.81 -1.26 -5.01 118.95 117.66 1v1c s ARG 53 Ca 0.75 -0.40 -0.07 0.00 -1.72 0.00 0.00 55.73 54.29 1v1c s ARG 53 Cb -0.28 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 1v1c s ARG 53 CO 0.32 -0.41 0.06 -1.14 -0.68 0.00 0.00 175.30 173.46 1v1c s GLN 54 N 1.70 3.90 0.15 3.54 0.74 -1.26 -2.71 119.66 125.72 1v1c s GLN 54 Ca 0.02 -0.38 -0.13 0.00 0.05 0.00 0.00 55.36 54.92 1v1c s GLN 54 Cb -0.15 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.74 1v1c s GLN 54 CO -0.08 0.17 0.37 0.20 -0.55 0.00 0.00 175.29 175.40 1v1c s GLY 55 N 0.66 0.07 -0.14 2.59 0.00 -0.64 -4.95 107.32 104.92 1v1c s GLY 55 Ca 0.03 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.07 1v1c s GLY 55 CO 0.02 -0.54 0.71 -0.98 0.00 0.00 0.00 173.10 172.31 1v1c s TRP 56 N -3.89 3.46 0.35 1.90 0.52 -1.23 -2.81 118.94 117.25 1v1c s TRP 56 Ca 0.10 1.13 0.07 0.00 0.02 0.00 0.00 56.10 57.42 1v1c s TRP 56 Cb 0.02 -2.86 -0.07 0.00 -1.15 0.00 0.00 33.47 29.41 1v1c s TRP 56 CO -0.05 -0.09 -0.02 0.14 0.02 0.00 0.00 176.95 176.94 1v1c s VAL 57 N 1.56 1.82 -0.30 4.03 -7.23 -1.19 -4.46 120.40 114.63 1v1c s VAL 57 Ca 0.34 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 1v1c s VAL 57 Cb -0.17 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 1v1c s VAL 57 CO 0.14 -0.11 0.30 -0.44 -0.31 0.00 0.00 175.10 174.67 1v1c s SER 58 N -3.58 6.14 0.00 4.85 0.01 -1.26 -3.32 113.70 116.53 1v1c s SER 58 Ca 0.34 0.00 0.14 0.00 1.31 0.00 0.00 55.95 57.74 1v1c s SER 58 Cb 0.07 -2.17 0.72 0.00 0.21 0.00 0.00 66.02 64.85 1v1c s SER 58 CO 0.16 -0.18 1.33 -0.81 0.41 0.00 0.00 173.24 174.15 1v1c n PRO 59 N 5.24 0.26 0.00 12.44 -0.04 -1.26 -2.70 135.00 148.93 1v1c n PRO 59 Ca -0.11 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1v1c n PRO 59 Cb 0.51 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.82 1v1c n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v1c n ALA 60 N -1.21 1.77 -0.34 0.55 0.00 -1.26 -2.23 120.51 117.79 1v1c n ALA 60 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1v1c n ALA 60 Cb 0.09 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1v1c n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1v1c n TYR 61 N -1.42 0.00 -4.28 0.00 4.01 -1.10 -5.05 117.16 109.33 1v1c n TYR 61 Ca 0.05 -0.30 -0.34 0.00 -0.16 0.00 0.00 57.90 57.16 1v1c n TYR 61 Cb 0.16 -0.03 -0.09 0.00 -0.31 0.00 0.00 39.34 39.07 1v1c n TYR 61 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1v1c s LEU 62 N -0.59 3.63 0.10 7.72 1.02 -0.95 -3.97 118.68 125.64 1v1c s LEU 62 Ca 0.00 0.09 0.08 0.00 0.02 0.00 0.00 54.13 54.32 1v1c s LEU 62 Cb 0.00 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 1v1c s LEU 62 CO 0.00 0.32 -0.14 -1.81 0.02 0.00 0.00 176.35 174.74 1v1c s ASP 63 N -1.32 4.12 -0.16 2.29 1.01 -1.23 -4.93 116.67 116.44 1v1c s ASP 63 Ca 0.18 -0.45 -0.29 0.00 0.71 0.00 0.00 52.55 52.70 1v1c s ASP 63 Cb -0.12 -0.70 -0.00 0.00 1.01 0.00 0.00 42.92 43.11 1v1c s ASP 63 CO 0.08 0.19 0.99 -0.60 0.21 0.00 0.00 175.17 176.04 1v1c s ARG 64 N -2.05 4.34 -0.06 8.23 6.06 -1.26 -3.39 118.95 130.81 1v1c s ARG 64 Ca 0.19 1.32 -0.03 0.00 -2.50 0.00 0.00 55.73 54.71 1v1c s ARG 64 Cb -0.11 -3.59 0.04 0.00 0.06 0.00 0.00 34.95 31.35 1v1c s ARG 64 CO 0.11 -0.44 0.14 -0.98 -2.50 0.00 0.00 175.30 171.63 1v1c s ARG 65 N 2.50 0.09 -0.20 5.12 1.70 -1.14 -5.04 118.95 121.97 1v1c s ARG 65 Ca 0.45 0.37 -0.01 0.00 -0.47 0.00 0.00 55.73 56.06 1v1c s ARG 65 Cb -0.17 -0.18 0.06 0.00 -0.57 0.00 0.00 34.95 34.09 1v1c s ARG 65 CO 0.12 -0.17 -0.00 -0.48 -1.08 0.00 0.00 175.30 173.70 1v1c s LEU 66 N 1.16 1.63 -0.05 -1.89 2.34 -1.26 -4.04 118.68 116.57 1v1c s LEU 66 Ca -0.09 -0.89 -0.06 0.00 0.06 0.00 0.00 54.13 53.15 1v1c s LEU 66 Cb -0.12 -0.80 0.01 0.00 -0.56 0.00 0.00 46.19 44.73 1v1c s LEU 66 CO -0.06 -0.27 0.15 -0.54 -1.06 0.00 0.00 176.35 174.58 1v1c s LYS 67 N 1.70 0.22 0.00 1.48 1.02 -1.26 -5.18 119.74 117.71 1v1c s LYS 67 Ca -0.02 0.14 0.10 0.00 0.02 0.00 0.00 55.97 56.21 1v1c s LYS 67 Cb -0.17 0.10 0.08 0.00 -0.52 0.00 0.00 37.83 37.32 1v1c s LYS 67 CO -0.07 -0.03 0.83 1.28 -0.92 0.00 0.00 175.35 176.43