#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 0.18 -2.76 4.28 3.72 -1.26 -5.08 117.46 116.54 1v1c n PHE 2 Ca 0.00 -0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 56.57 1v1c n PHE 2 Cb 0.00 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.45 1v1c n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1v1c s ASP 3 N -1.45 6.24 0.06 4.37 1.11 -1.26 -4.84 116.67 120.90 1v1c s ASP 3 Ca 0.00 -0.61 -0.25 0.00 0.18 0.00 0.00 52.55 51.88 1v1c s ASP 3 Cb 0.00 -2.47 -0.06 0.00 1.07 0.00 0.00 42.92 41.47 1v1c s ASP 3 CO 0.00 -1.48 0.77 -0.63 1.18 0.00 0.00 175.17 175.01 1v1c s ILE 4 N 4.49 4.69 0.26 0.77 1.01 -1.25 -1.40 121.20 129.77 1v1c s ILE 4 Ca 0.29 1.64 0.09 0.00 0.00 0.00 0.00 60.65 62.66 1v1c s ILE 4 Cb -0.13 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1v1c s ILE 4 CO 0.15 0.38 0.07 -0.31 0.00 0.00 0.00 174.94 175.23 1v1c s TYR 5 N -0.18 2.86 -0.12 3.97 1.51 -0.49 -3.17 117.35 121.73 1v1c s TYR 5 Ca 0.38 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1v1c s TYR 5 Cb -0.21 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1v1c s TYR 5 CO 0.23 0.58 -0.13 0.54 -1.11 0.00 0.00 175.55 175.67 1v1c s VAL 6 N -2.22 3.09 0.04 0.71 0.11 -1.20 -2.34 120.40 118.59 1v1c s VAL 6 Ca 0.32 -0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1v1c s VAL 6 Cb -0.07 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 1v1c s VAL 6 CO 0.22 0.53 1.07 -0.69 -3.33 0.00 0.00 175.10 172.89 1v1c s VAL 7 N 0.22 4.48 -0.00 2.04 1.01 -0.98 -3.45 120.40 123.72 1v1c s VAL 7 Ca -0.08 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1v1c s VAL 7 Cb -0.15 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1v1c s VAL 7 CO 0.05 0.16 0.91 0.35 0.00 0.00 0.00 175.10 176.57 1v1c n THR 8 N 3.73 0.04 -0.75 3.92 -2.24 -1.25 -2.38 114.28 115.35 1v1c n THR 8 Ca 0.07 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1v1c n THR 8 Cb 0.49 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.03 0.42 -2.74 6.98 0.00 -1.26 -5.07 120.51 118.81 1v1c n ALA 9 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1v1c n ALA 9 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 1v1c n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1v1c n ASP 10 N -0.02 -6.32 -4.41 0.00 -0.08 -1.26 -4.89 116.55 99.58 1v1c n ASP 10 Ca 0.00 1.35 -0.45 0.00 -1.51 0.00 0.00 54.79 54.18 1v1c n ASP 10 Cb 0.19 -5.01 -0.01 0.00 2.34 0.00 0.00 41.12 38.62 1v1c n ASP 10 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1v1c s TYR 11 N -1.36 3.57 -0.32 -0.67 5.04 -1.26 -4.88 117.35 117.46 1v1c s TYR 11 Ca -0.06 -1.94 -0.05 0.00 -2.44 0.00 0.00 57.07 52.58 1v1c s TYR 11 Cb 0.00 -4.10 0.04 0.00 0.35 0.00 0.00 41.96 38.25 1v1c s TYR 11 CO 0.72 -1.26 0.06 -1.17 -1.34 0.00 0.00 175.55 172.56 1v1c s LEU 12 N 1.14 4.06 0.55 6.97 2.96 -1.26 -2.48 118.68 130.61 1v1c s LEU 12 Ca 0.31 -1.12 -0.21 0.00 -0.22 0.00 0.00 54.13 52.89 1v1c s LEU 12 Cb -0.06 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1v1c s LEU 12 CO -0.07 -0.28 1.28 -2.65 -1.32 0.00 0.00 176.35 173.31 1v1c n PRO 13 N 4.75 1.54 -3.16 0.98 -0.02 -1.26 -4.95 135.00 132.88 1v1c n PRO 13 Ca -0.13 0.57 -0.45 0.00 -2.02 0.00 0.00 63.50 61.46 1v1c n PRO 13 Cb 0.45 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1v1c n PRO 13 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1v1c s LEU 14 N -3.05 5.80 0.00 2.45 2.34 -1.26 -4.91 118.68 120.05 1v1c s LEU 14 Ca 0.72 -1.92 0.00 0.00 0.06 0.00 0.00 54.13 52.99 1v1c s LEU 14 Cb -0.43 -2.28 0.00 0.00 -0.56 0.00 0.00 46.19 42.92 1v1c s LEU 14 CO 0.49 -0.93 0.00 0.61 -1.06 0.00 0.00 176.35 175.46 1v1c n GLY 15 N 4.96 2.03 3.21 -3.48 0.00 -1.26 -4.63 105.19 106.03 1v1c n GLY 15 Ca 0.02 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 3.12 -0.09 4.61 0.00 -1.26 -5.09 121.76 121.06 1v1c s ALA 16 Ca 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 51.96 49.78 1v1c s ALA 16 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1v1c s ALA 16 CO 0.00 -1.57 0.17 -2.00 0.00 0.00 0.00 175.76 172.37 1v1c s GLU 17 N 1.31 3.48 -0.13 0.00 2.56 -1.26 -5.07 118.70 119.59 1v1c s GLU 17 Ca 0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 54.97 54.58 1v1c s GLU 17 Cb -0.22 -3.17 -0.01 0.00 2.00 0.00 0.00 34.13 32.73 1v1c s GLU 17 CO -0.00 0.75 1.10 -0.65 -0.56 0.00 0.00 175.26 175.90 1v1c s GLN 18 N -1.23 4.33 -1.01 4.30 -0.21 -1.26 -3.94 119.66 120.65 1v1c s GLN 18 Ca 0.18 1.49 -0.11 0.00 0.02 0.00 0.00 55.36 56.95 1v1c s GLN 18 Cb -0.12 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.25 1v1c s GLN 18 CO 0.08 -0.49 0.80 -0.25 -2.12 0.00 0.00 175.29 173.31 1v1c n ASP 19 N 5.63 -6.17 -4.13 5.90 9.92 -1.26 -5.02 116.55 121.43 1v1c n ASP 19 Ca 0.11 -0.75 -0.11 0.00 -0.53 0.00 0.00 54.79 53.52 1v1c n ASP 19 Cb 0.47 -4.18 -0.09 0.00 -0.64 0.00 0.00 41.12 36.68 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 -3.32 0.75 -0.02 2.24 0.00 -1.25 -4.26 121.76 115.89 1v1c s ALA 20 Ca 0.35 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1v1c s ALA 20 Cb -0.09 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.13 1v1c s ALA 20 CO 0.81 -0.59 -0.03 -1.50 0.00 0.00 0.00 175.76 174.45 1v1c s ILE 21 N -4.08 0.35 0.13 0.00 2.07 -1.26 -4.88 121.20 113.53 1v1c s ILE 21 Ca 0.29 -0.07 -0.31 0.00 -1.41 0.00 0.00 60.65 59.14 1v1c s ILE 21 Cb 0.06 -0.37 -0.08 0.00 0.13 0.00 0.00 42.46 42.19 1v1c s ILE 21 CO 0.06 0.15 1.43 -0.89 -1.91 0.00 0.00 174.94 173.79 1v1c s THR 22 N 0.61 3.14 0.24 4.00 2.01 -1.26 -4.80 115.64 119.58 1v1c s THR 22 Ca -0.07 0.82 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1v1c s THR 22 Cb -0.10 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1v1c s THR 22 CO -0.01 0.07 0.09 -0.76 -0.69 0.00 0.00 174.62 173.31 1v1c s LEU 23 N 1.09 1.67 0.03 4.42 1.43 -1.04 -5.07 118.68 121.21 1v1c s LEU 23 Ca 0.66 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1v1c s LEU 23 Cb -0.38 0.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 1v1c s LEU 23 CO 0.31 -0.71 -0.08 -0.13 0.23 0.00 0.00 176.35 175.96 1v1c s ARG 24 N -4.02 0.59 -0.41 1.70 0.52 -1.26 -4.18 118.95 111.88 1v1c s ARG 24 Ca 0.36 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.72 1v1c s ARG 24 Cb 0.08 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 35.03 1v1c s ARG 24 CO 0.12 0.11 1.93 -2.00 0.02 0.00 0.00 175.30 175.49 1v1c s GLU 25 N -1.00 2.97 0.00 3.54 2.12 -1.26 -2.69 118.70 122.38 1v1c s GLU 25 Ca -0.03 1.27 0.00 0.00 0.36 0.00 0.00 54.97 56.57 1v1c s GLU 25 Cb -0.07 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 30.01 1v1c s GLU 25 CO 0.00 -2.29 0.00 0.41 -0.54 0.00 0.00 175.26 172.84 1v1c n GLY 26 N 5.60 0.29 3.92 -1.50 0.00 -1.00 -4.94 105.19 107.56 1v1c n GLY 26 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1v1c n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1v1c s GLN 27 N 0.00 2.81 0.03 1.61 1.03 -1.09 -4.88 119.66 119.16 1v1c s GLN 27 Ca 0.00 -1.26 0.09 0.00 0.04 0.00 0.00 55.36 54.23 1v1c s GLN 27 Cb 0.00 -2.59 -0.03 0.00 0.03 0.00 0.00 33.01 30.42 1v1c s GLN 27 CO 0.00 -0.02 -0.25 0.71 -2.54 0.00 0.00 175.29 173.19 1v1c s TYR 28 N -2.31 2.24 -0.24 9.60 2.02 -1.26 -2.32 117.35 125.08 1v1c s TYR 28 Ca 0.45 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.65 1v1c s TYR 28 Cb -0.07 -1.37 0.10 0.00 -0.40 0.00 0.00 41.96 40.22 1v1c s TYR 28 CO 0.29 0.08 0.54 0.54 -1.57 0.00 0.00 175.55 175.42 1v1c s VAL 29 N -0.74 -0.55 0.54 0.71 0.11 -0.99 -4.09 120.40 115.38 1v1c s VAL 29 Ca 0.11 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 1v1c s VAL 29 Cb -0.10 -0.82 -0.07 0.00 -1.53 0.00 0.00 36.38 33.87 1v1c s VAL 29 CO 0.01 0.03 1.02 -1.83 -3.33 0.00 0.00 175.10 171.00 1v1c s GLU 30 N 2.35 3.71 0.06 1.54 -1.05 -1.25 -1.39 118.70 122.67 1v1c s GLU 30 Ca -0.06 1.10 -0.10 0.00 -0.15 0.00 0.00 54.97 55.77 1v1c s GLU 30 Cb -0.10 -2.10 -0.06 0.00 -0.44 0.00 0.00 34.13 31.44 1v1c s GLU 30 CO -0.16 -0.48 0.39 0.54 0.95 0.00 0.00 175.26 176.50 1v1c s VAL 31 N -2.46 5.11 0.00 1.83 0.11 -0.49 -2.79 120.40 121.70 1v1c s VAL 31 Ca 0.62 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 1v1c s VAL 31 Cb -0.13 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1v1c s VAL 31 CO 0.31 0.34 0.00 0.18 -3.33 0.00 0.00 175.10 172.59 1v1c n LEU 32 N 1.05 0.00 0.18 2.54 4.77 0.34 -4.38 117.00 121.51 1v1c n LEU 32 Ca -0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 1v1c n LEU 32 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1v1c n LEU 32 CO 0.41 0.00 0.71 -0.78 -1.33 0.00 0.00 177.39 176.40 1v1c h ASP 33 N 0.00 -0.35 -1.59 -1.43 3.58 -1.95 -3.47 116.42 111.21 1v1c h ASP 33 Ca 0.00 -0.05 -0.41 0.00 0.42 0.00 0.00 57.03 56.98 1v1c h ASP 33 Cb 0.00 0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.02 1v1c h ASP 33 CO 0.00 -0.17 -0.42 0.00 -2.88 0.00 0.00 179.24 175.77 1v1c n ALA 34 N -2.33 -0.40 -2.93 -0.78 0.00 -1.26 -4.96 120.51 107.85 1v1c n ALA 34 Ca -0.10 0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 1v1c n ALA 34 Cb 0.21 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 1v1c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1c s ALA 35 N -2.84 3.94 -0.00 0.00 0.00 -1.26 -4.89 121.76 116.71 1v1c s ALA 35 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 1v1c s ALA 35 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1v1c s ALA 35 CO 0.00 0.45 0.02 0.72 0.00 0.00 0.00 175.76 176.95 1v1c n HIS 36 N -0.77 -3.68 0.13 0.00 8.25 -1.26 -4.46 115.22 113.42 1v1c n HIS 36 Ca -0.07 2.18 0.19 0.00 -0.26 0.00 0.00 57.72 59.77 1v1c n HIS 36 Cb 0.55 -3.41 0.74 0.00 1.12 0.00 0.00 29.99 28.99 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 3.25 0.00 0.00 -0.41 0.11 -2.05 -2.99 132.00 129.92 1v1c h PRO 37 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1v1c h PRO 37 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1v1c h PRO 37 CO 0.00 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.68 1v1c n LEU 38 N -3.55 0.00 -3.91 2.35 7.94 -1.26 -4.83 117.00 113.74 1v1c n LEU 38 Ca 0.06 0.94 -0.11 0.00 -1.11 0.00 0.00 56.01 55.79 1v1c n LEU 38 Cb 0.60 -0.44 -0.13 0.00 0.53 0.00 0.00 43.42 43.98 1v1c n LEU 38 CO 0.25 -0.44 -0.35 0.00 -1.11 0.00 0.00 177.39 175.73 1v1c s ARG 39 N -2.77 0.12 -0.02 1.96 1.70 -1.13 -4.72 118.95 114.09 1v1c s ARG 39 Ca 0.00 -0.21 0.02 0.00 -0.47 0.00 0.00 55.73 55.08 1v1c s ARG 39 Cb 0.00 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 1v1c s ARG 39 CO 0.00 -0.02 -0.06 -1.58 -1.08 0.00 0.00 175.30 172.56 1v1c s TRP 40 N -0.52 2.92 -0.14 5.89 0.51 -1.26 -4.65 118.94 121.70 1v1c s TRP 40 Ca -0.06 -0.01 -0.29 0.00 -2.12 0.00 0.00 56.10 53.62 1v1c s TRP 40 Cb -0.04 -1.65 -0.01 0.00 -0.81 0.00 0.00 33.47 30.97 1v1c s TRP 40 CO -0.00 0.37 1.01 -1.17 -0.51 0.00 0.00 176.95 176.65 1v1c s LEU 41 N -1.24 4.20 0.08 2.99 2.96 -1.26 -3.76 118.68 122.65 1v1c s LEU 41 Ca 0.16 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.57 1v1c s LEU 41 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1v1c s LEU 41 CO 0.06 -0.51 -0.08 0.68 -1.32 0.00 0.00 176.35 175.18 1v1c s VAL 42 N 2.36 0.75 -0.10 1.68 -7.23 -1.22 -0.50 120.40 116.14 1v1c s VAL 42 Ca 0.47 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1v1c s VAL 42 Cb -0.17 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.55 1v1c s VAL 42 CO 0.14 -0.60 -0.07 0.00 -0.31 0.00 0.00 175.10 174.26 1v1c s ARG 43 N -2.76 1.44 0.51 4.82 1.70 -1.12 -1.49 118.95 122.05 1v1c s ARG 43 Ca 0.03 -0.24 -0.22 0.00 -0.47 0.00 0.00 55.73 54.83 1v1c s ARG 43 Cb -0.02 -1.47 -0.06 0.00 -0.57 0.00 0.00 34.95 32.82 1v1c s ARG 43 CO -0.01 -0.22 1.25 0.95 -1.08 0.00 0.00 175.30 176.19 1v1c s THR 44 N 1.55 2.62 0.00 4.99 -4.23 -0.72 -3.90 115.64 115.95 1v1c s THR 44 Ca 0.01 0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 1v1c s THR 44 Cb -0.13 -3.23 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 1v1c s THR 44 CO -0.06 -0.01 1.34 -0.54 -0.54 0.00 0.00 174.62 174.81 1v1c s LYS 45 N -2.83 4.31 0.00 3.99 1.02 -1.26 -4.34 119.74 120.64 1v1c s LYS 45 Ca 0.68 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.56 1v1c s LYS 45 Cb -0.34 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 1v1c s LYS 45 CO 0.40 -0.51 0.00 -0.35 -0.92 0.00 0.00 175.35 173.98 1v1c n PRO 46 N 5.07 -0.26 0.00 -1.68 -0.04 -1.26 -5.04 135.00 131.79 1v1c n PRO 46 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1v1c n PRO 46 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1v1c n PRO 46 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1v1c n THR 47 N -1.95 0.00 -0.42 0.52 -2.24 -1.26 -5.04 114.28 103.89 1v1c n THR 47 Ca 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1v1c n THR 47 Cb 0.00 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1v1c n THR 47 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1v1c n LYS 48 N -1.86 0.00 0.00 -0.78 4.81 -1.26 -4.94 118.16 114.13 1v1c n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1v1c n LYS 48 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1v1c n LYS 48 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1v1c n SER 49 N 0.00 0.00 -4.67 3.14 7.64 -1.26 -5.07 113.62 113.40 1v1c n SER 49 Ca 0.00 -0.29 -0.38 0.00 1.01 0.00 0.00 58.87 59.21 1v1c n SER 49 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1v1c n SER 49 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v1c s SER 50 N 0.00 6.34 0.16 6.43 0.15 -1.26 -5.05 113.70 120.48 1v1c s SER 50 Ca 0.00 0.39 -0.31 0.00 0.70 0.00 0.00 55.95 56.73 1v1c s SER 50 Cb 0.00 -2.19 -0.11 0.00 -1.71 0.00 0.00 66.02 62.01 1v1c s SER 50 CO 0.00 -0.02 1.76 -2.16 1.20 0.00 0.00 173.24 174.01 1v1c s PRO 51 N 1.19 4.14 0.19 5.44 0.04 -1.26 -4.21 135.00 140.52 1v1c s PRO 51 Ca 0.15 2.58 -0.30 0.00 0.04 0.00 0.00 61.00 63.47 1v1c s PRO 51 Cb -0.14 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.99 1v1c s PRO 51 CO 0.07 -0.78 1.25 -1.54 0.04 0.00 0.00 177.00 176.03 1v1c s SER 52 N 1.89 7.00 0.24 6.66 1.04 -1.26 -4.96 113.70 124.31 1v1c s SER 52 Ca 0.77 2.31 0.08 0.00 0.48 0.00 0.00 55.95 59.59 1v1c s SER 52 Cb -0.47 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.00 1v1c s SER 52 CO 0.34 -0.44 0.07 -0.13 0.98 0.00 0.00 173.24 174.06 1v1c s ARG 53 N -0.21 2.56 -0.03 4.02 1.81 -1.26 -5.00 118.95 120.83 1v1c s ARG 53 Ca 0.54 -1.20 -0.01 0.00 -1.72 0.00 0.00 55.73 53.34 1v1c s ARG 53 Cb -0.34 -2.36 0.03 0.00 -0.45 0.00 0.00 34.95 31.83 1v1c s ARG 53 CO 0.38 0.40 0.05 1.14 -0.68 0.00 0.00 175.30 176.59 1v1c s GLN 54 N -3.55 -0.00 0.09 3.54 -2.07 -1.26 -1.75 119.66 114.66 1v1c s GLN 54 Ca 0.31 0.21 -0.12 0.00 -1.82 0.00 0.00 55.36 53.94 1v1c s GLN 54 Cb -0.08 -0.20 0.01 0.00 -1.09 0.00 0.00 33.01 31.65 1v1c s GLN 54 CO 0.21 -0.15 0.27 0.20 -1.32 0.00 0.00 175.29 174.51 1v1c s GLY 55 N 0.98 -0.06 -0.23 2.60 0.00 -0.56 -4.93 107.32 105.13 1v1c s GLY 55 Ca -0.08 -0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 1v1c s GLY 55 CO -0.03 -0.54 1.04 -0.98 0.00 0.00 0.00 173.10 172.59 1v1c s TRP 56 N -3.56 3.34 0.43 1.90 0.52 -1.26 -3.40 118.94 116.91 1v1c s TRP 56 Ca 0.02 1.47 0.06 0.00 0.02 0.00 0.00 56.10 57.67 1v1c s TRP 56 Cb 0.03 -3.27 -0.06 0.00 -1.15 0.00 0.00 33.47 29.02 1v1c s TRP 56 CO -0.10 -0.48 0.03 0.14 0.02 0.00 0.00 176.95 176.57 1v1c s VAL 57 N 3.17 1.86 -0.47 4.03 -7.23 -1.25 -4.57 120.40 115.95 1v1c s VAL 57 Ca 0.44 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 1v1c s VAL 57 Cb -0.15 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 34.01 1v1c s VAL 57 CO 0.06 0.00 0.62 -0.44 -0.31 0.00 0.00 175.10 175.03 1v1c s SER 58 N -3.77 6.27 0.00 4.85 0.01 -1.26 -4.04 113.70 115.75 1v1c s SER 58 Ca 0.30 -0.60 0.16 0.00 1.31 0.00 0.00 55.95 57.12 1v1c s SER 58 Cb 0.07 -2.30 0.91 0.00 0.21 0.00 0.00 66.02 64.91 1v1c s SER 58 CO 0.15 -0.81 1.40 -0.81 0.41 0.00 0.00 173.24 173.58 1v1c n PRO 59 N 6.19 0.41 0.11 12.44 -0.04 -1.26 -2.84 135.00 150.00 1v1c n PRO 59 Ca -0.04 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1v1c n PRO 59 Cb 0.47 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.09 1.63 0.12 0.55 0.00 -1.26 -2.30 120.51 118.15 1v1c n ALA 60 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.62 1v1c n ALA 60 Cb 0.08 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.10 0.00 -4.03 0.00 4.01 -1.13 -5.01 117.16 108.89 1v1c n TYR 61 Ca 0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 1v1c n TYR 61 Cb 0.21 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.37 4.12 -0.15 7.72 1.02 -0.97 -3.82 118.68 126.22 1v1c s LEU 62 Ca 0.03 0.33 -0.06 0.00 0.02 0.00 0.00 54.13 54.46 1v1c s LEU 62 Cb 0.02 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 1v1c s LEU 62 CO 0.04 0.37 0.04 -1.81 0.02 0.00 0.00 176.35 175.01 1v1c s ASP 63 N -1.18 5.49 -0.28 2.29 1.11 -1.22 -4.93 116.67 117.94 1v1c s ASP 63 Ca 0.17 0.10 -0.29 0.00 0.18 0.00 0.00 52.55 52.71 1v1c s ASP 63 Cb -0.12 -1.84 -0.00 0.00 1.07 0.00 0.00 42.92 42.03 1v1c s ASP 63 CO 0.06 0.24 1.37 -0.60 1.18 0.00 0.00 175.17 177.42 1v1c s ARG 64 N -0.04 3.89 -0.10 8.23 3.52 -1.26 -3.27 118.95 129.92 1v1c s ARG 64 Ca 0.05 1.34 -0.03 0.00 -0.13 0.00 0.00 55.73 56.96 1v1c s ARG 64 Cb -0.12 -3.91 0.04 0.00 -1.56 0.00 0.00 34.95 29.40 1v1c s ARG 64 CO 0.01 -1.15 0.05 1.03 -0.81 0.00 0.00 175.30 174.43 1v1c s ARG 65 N 4.27 0.21 -0.10 5.12 1.81 -1.19 -5.07 118.95 124.00 1v1c s ARG 65 Ca 0.59 0.09 -0.00 0.00 -1.72 0.00 0.00 55.73 54.69 1v1c s ARG 65 Cb -0.18 -1.19 0.02 0.00 -0.45 0.00 0.00 34.95 33.15 1v1c s ARG 65 CO 0.24 -0.46 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.16 1v1c s LEU 66 N 2.08 1.16 0.34 2.53 2.96 -1.26 -3.88 118.68 122.60 1v1c s LEU 66 Ca 0.03 -0.27 0.14 0.00 -0.22 0.00 0.00 54.13 53.82 1v1c s LEU 66 Cb -0.14 -0.77 0.58 0.00 0.50 0.00 0.00 46.19 46.36 1v1c s LEU 66 CO -0.06 -0.11 1.72 0.11 -1.32 0.00 0.00 176.35 176.69 1v1c h LYS 67 N 8.03 0.00 0.00 1.98 1.57 -1.96 -3.52 116.57 122.67 1v1c h LYS 67 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1v1c h LYS 67 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1v1c h LYS 67 CO 0.40 0.47 0.00 -0.11 -0.57 0.00 0.00 179.45 179.64