#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 -0.06 -3.34 4.28 3.72 -1.26 -5.10 117.46 115.70 1v1c n PHE 2 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 1v1c n PHE 2 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.07 6.17 -0.29 4.37 1.01 -1.26 -4.86 116.67 121.87 1v1c s ASP 3 Ca 0.00 -1.03 -0.25 0.00 0.71 0.00 0.00 52.55 51.99 1v1c s ASP 3 Cb 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1v1c s ASP 3 CO 0.00 -0.65 0.84 -0.63 0.21 0.00 0.00 175.17 174.94 1v1c s ILE 4 N 1.95 4.76 -0.20 0.77 1.01 -1.26 -1.36 121.20 126.87 1v1c s ILE 4 Ca 0.08 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.94 1v1c s ILE 4 Cb -0.21 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1v1c s ILE 4 CO 0.10 -0.25 0.35 -0.31 0.00 0.00 0.00 174.94 174.83 1v1c s TYR 5 N 3.04 3.38 0.02 3.97 1.51 -0.50 -2.81 117.35 125.96 1v1c s TYR 5 Ca 0.35 0.56 -0.25 0.00 -1.01 0.00 0.00 57.07 56.73 1v1c s TYR 5 Cb -0.14 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 1v1c s TYR 5 CO 0.12 0.04 0.75 0.54 -1.11 0.00 0.00 175.55 175.89 1v1c s VAL 6 N 1.14 4.80 -0.17 0.71 0.11 -0.97 -3.26 120.40 122.78 1v1c s VAL 6 Ca 0.17 1.59 -0.25 0.00 -2.93 0.00 0.00 61.98 60.56 1v1c s VAL 6 Cb -0.14 -4.10 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 1v1c s VAL 6 CO 0.07 0.34 0.80 -0.69 -3.33 0.00 0.00 175.10 172.29 1v1c s VAL 7 N 0.12 4.91 -0.03 2.04 1.01 -0.85 -3.33 120.40 124.26 1v1c s VAL 7 Ca 0.38 1.57 0.05 0.00 0.00 0.00 0.00 61.98 63.98 1v1c s VAL 7 Cb -0.20 -4.11 0.07 0.00 0.00 0.00 0.00 36.38 32.14 1v1c s VAL 7 CO 0.22 0.05 0.91 0.35 0.00 0.00 0.00 175.10 176.63 1v1c n THR 8 N 4.68 0.75 -0.87 3.92 -2.24 -1.26 -2.32 114.28 116.94 1v1c n THR 8 Ca 0.03 -0.84 0.01 0.00 -2.27 0.00 0.00 64.05 60.99 1v1c n THR 8 Cb 0.49 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.67 -0.03 6.98 0.00 -1.26 -5.04 120.51 122.33 1v1c n ALA 9 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1v1c n ALA 9 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.37 0.00 -2.43 0.00 2.03 -1.26 -4.75 116.55 109.77 1v1c n ASP 10 Ca 0.02 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.30 1v1c n ASP 10 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1v1c n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v1c n TYR 11 N 0.00 -2.71 -3.99 -0.67 9.36 -1.26 -3.81 117.16 114.07 1v1c n TYR 11 Ca 0.00 1.15 -0.33 0.00 3.32 0.00 0.00 57.90 62.04 1v1c n TYR 11 Cb 0.00 -3.36 -0.14 0.00 -0.63 0.00 0.00 39.34 35.21 1v1c n TYR 11 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1v1c s LEU 12 N -1.70 3.94 0.34 2.98 1.98 -1.26 -3.75 118.68 121.21 1v1c s LEU 12 Ca 0.09 -1.53 -0.29 0.00 -2.89 0.00 0.00 54.13 49.51 1v1c s LEU 12 Cb -0.03 -1.63 -0.11 0.00 0.66 0.00 0.00 46.19 45.08 1v1c s LEU 12 CO 0.56 -0.27 1.51 -2.65 -1.89 0.00 0.00 176.35 173.62 1v1c n PRO 13 N 4.47 2.64 -3.27 0.98 -0.02 -1.26 -4.96 135.00 133.58 1v1c n PRO 13 Ca -0.10 0.93 -0.46 0.00 -2.02 0.00 0.00 63.50 61.85 1v1c n PRO 13 Cb 0.42 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 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 -1.34 6.19 0.00 2.45 1.43 -1.26 -4.95 118.68 121.20 1v1c s LEU 14 Ca 0.58 -2.02 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1v1c s LEU 14 Cb -0.49 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1v1c s LEU 14 CO 0.58 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1v1c n GLY 15 N 4.87 -1.07 3.38 -3.19 0.00 -1.26 -4.89 105.19 103.03 1v1c n GLY 15 Ca -0.03 -2.14 -0.45 0.00 0.00 0.00 0.00 46.02 43.40 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 3.54 0.05 4.61 0.00 -1.26 -5.06 121.76 121.63 1v1c s ALA 16 Ca 0.00 -2.18 -0.01 0.00 0.00 0.00 0.00 51.96 49.77 1v1c s ALA 16 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1v1c s ALA 16 CO 0.00 -1.93 0.21 -1.21 0.00 0.00 0.00 175.76 172.83 1v1c s GLU 17 N 1.93 3.45 0.40 0.00 8.01 -1.26 -5.09 118.70 126.13 1v1c s GLU 17 Ca 0.07 -0.40 -0.24 0.00 0.01 0.00 0.00 54.97 54.41 1v1c s GLU 17 Cb -0.25 -3.05 -0.09 0.00 -4.31 0.00 0.00 34.13 26.43 1v1c s GLU 17 CO 0.06 0.62 1.04 -1.14 0.01 0.00 0.00 175.26 175.85 1v1c s GLN 18 N -2.38 4.20 -0.43 1.61 0.74 -1.26 -3.50 119.66 118.64 1v1c s GLN 18 Ca 0.33 1.48 -0.02 0.00 0.05 0.00 0.00 55.36 57.20 1v1c s GLN 18 Cb -0.13 -2.54 0.02 0.00 1.10 0.00 0.00 33.01 31.46 1v1c s GLN 18 CO 0.26 -0.11 0.06 -0.40 -0.55 0.00 0.00 175.29 174.55 1v1c n ASP 19 N -0.06 -1.93 -4.97 6.67 5.68 -1.26 -4.90 116.55 115.77 1v1c n ASP 19 Ca 0.05 0.29 -0.19 0.00 -0.50 0.00 0.00 54.79 54.44 1v1c n ASP 19 Cb 0.50 -1.74 -0.01 0.00 -1.14 0.00 0.00 41.12 38.74 1v1c n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v1c s ALA 20 N -2.27 4.27 -0.04 2.12 0.00 -1.23 -3.77 121.76 120.85 1v1c s ALA 20 Ca 0.06 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 1v1c s ALA 20 Cb -0.04 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1v1c s ALA 20 CO 0.08 -0.12 0.13 -1.50 0.00 0.00 0.00 175.76 174.35 1v1c s ILE 21 N -2.27 0.02 0.15 0.00 2.07 -1.26 -4.88 121.20 115.03 1v1c s ILE 21 Ca 0.48 -0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 59.36 1v1c s ILE 21 Cb -0.09 -0.25 -0.07 0.00 0.13 0.00 0.00 42.46 42.18 1v1c s ILE 21 CO 0.31 -0.10 0.61 0.42 -1.91 0.00 0.00 174.94 174.26 1v1c s THR 22 N -0.30 4.74 0.23 4.00 -4.23 -1.26 -4.84 115.64 113.97 1v1c s THR 22 Ca -0.04 1.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.55 1v1c s THR 22 Cb -0.03 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 1v1c s THR 22 CO 0.00 0.32 0.08 -0.76 -0.54 0.00 0.00 174.62 173.73 1v1c s LEU 23 N -1.73 1.65 0.01 4.79 1.43 -1.25 -5.12 118.68 118.47 1v1c s LEU 23 Ca 0.37 -1.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1v1c s LEU 23 Cb -0.17 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 1v1c s LEU 23 CO 0.20 -0.72 -0.08 -0.13 0.23 0.00 0.00 176.35 175.85 1v1c s ARG 24 N -4.03 0.60 -0.39 1.70 0.52 -1.25 -4.65 118.95 111.44 1v1c s ARG 24 Ca 0.35 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 54.91 1v1c s ARG 24 Cb 0.07 -0.55 -0.06 0.00 0.52 0.00 0.00 34.95 34.93 1v1c s ARG 24 CO 0.11 0.14 2.33 -2.00 0.02 0.00 0.00 175.30 175.90 1v1c s GLU 25 N -0.48 2.48 0.00 3.54 -6.30 -1.25 -1.84 118.70 114.85 1v1c s GLU 25 Ca 0.01 1.63 0.00 0.00 -2.50 0.00 0.00 54.97 54.10 1v1c s GLU 25 Cb -0.04 -4.50 0.00 0.00 0.00 0.00 0.00 34.13 29.58 1v1c s GLU 25 CO -0.00 -2.84 0.00 0.41 0.02 0.00 0.00 175.26 172.85 1v1c n GLY 26 N 5.91 1.14 3.92 -1.50 0.00 -0.98 -4.94 105.19 108.75 1v1c n GLY 26 Ca 0.34 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 3.35 -0.03 1.61 -0.21 -0.76 -4.92 119.66 118.69 1v1c s GLN 27 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.79 1v1c s GLN 27 Cb 0.00 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 1v1c s GLN 27 CO 0.00 0.51 -0.21 0.71 -2.12 0.00 0.00 175.29 174.17 1v1c s TYR 28 N -1.76 1.98 -0.23 0.91 2.02 -1.26 -2.02 117.35 117.00 1v1c s TYR 28 Ca 0.34 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.50 1v1c s TYR 28 Cb -0.11 -1.29 0.09 0.00 -0.40 0.00 0.00 41.96 40.25 1v1c s TYR 28 CO 0.28 -0.09 0.51 0.54 -1.57 0.00 0.00 175.55 175.21 1v1c s VAL 29 N -0.36 -0.49 0.56 0.71 0.11 -1.20 -4.30 120.40 115.42 1v1c s VAL 29 Ca 0.04 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 59.02 1v1c s VAL 29 Cb -0.10 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1v1c s VAL 29 CO 0.00 0.04 1.04 -1.83 -3.33 0.00 0.00 175.10 171.02 1v1c s GLU 30 N 2.26 3.54 -0.06 1.54 -1.05 -1.26 -1.41 118.70 122.27 1v1c s GLU 30 Ca -0.06 1.19 -0.16 0.00 -0.15 0.00 0.00 54.97 55.79 1v1c s GLU 30 Cb -0.10 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.47 1v1c s GLU 30 CO -0.15 -0.62 0.43 0.54 0.95 0.00 0.00 175.26 176.40 1v1c s VAL 31 N -2.39 5.11 -0.03 1.83 0.11 -0.46 -2.22 120.40 122.36 1v1c s VAL 31 Ca 0.63 0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 60.54 1v1c s VAL 31 Cb -0.15 -3.75 -0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1v1c s VAL 31 CO 0.32 0.45 -0.02 -0.07 -3.33 0.00 0.00 175.10 172.46 1v1c h LEU 32 N 5.74 0.00 -9.50 2.54 3.38 -1.01 -3.39 115.31 113.06 1v1c h LEU 32 Ca -0.46 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 1v1c h LEU 32 Cb 1.20 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 1v1c h LEU 32 CO 0.69 0.14 -0.66 -0.62 0.09 0.00 0.00 178.44 178.07 1v1c s ASP 33 N -3.77 4.61 -0.23 -0.43 2.15 -0.97 -5.02 116.67 113.01 1v1c s ASP 33 Ca -0.02 -0.53 -0.06 0.00 0.43 0.00 0.00 52.55 52.38 1v1c s ASP 33 Cb 0.00 -0.90 0.11 0.00 -0.30 0.00 0.00 42.92 41.83 1v1c s ASP 33 CO 0.02 0.05 0.45 0.00 -0.17 0.00 0.00 175.17 175.53 1v1c s ALA 34 N -1.98 -1.32 0.00 3.66 0.00 -1.26 -2.58 121.76 118.27 1v1c s ALA 34 Ca 0.29 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1v1c s ALA 34 Cb -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1v1c s ALA 34 CO 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 175.76 175.04 1v1c n ALA 35 N 5.40 0.00 -3.89 0.00 0.00 -1.26 -5.09 120.51 115.67 1v1c n ALA 35 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1v1c n ALA 35 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 1v1c n ALA 35 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1v1c s HIS 36 N 0.00 3.13 0.62 0.00 3.76 -1.26 -4.98 115.29 116.55 1v1c s HIS 36 Ca 0.00 -1.90 0.29 0.00 -0.15 0.00 0.00 55.06 53.30 1v1c s HIS 36 Cb 0.00 -2.00 1.58 0.00 1.11 0.00 0.00 32.58 33.27 1v1c s HIS 36 CO 0.00 -0.81 1.95 -1.35 -0.85 0.00 0.00 174.74 173.68 1v1c h PRO 37 N 7.91 0.00 0.06 8.40 0.11 -2.03 -2.91 132.00 143.54 1v1c h PRO 37 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1v1c h PRO 37 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1v1c h PRO 37 CO 0.54 0.00 -0.03 1.25 -0.21 0.00 0.00 178.00 179.55 1v1c h LEU 38 N 0.00 -0.06 -7.36 2.35 6.46 -1.98 -3.46 115.31 111.26 1v1c h LEU 38 Ca 0.12 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.64 1v1c h LEU 38 Cb 0.86 0.02 -0.32 0.00 -0.73 0.00 0.00 40.66 40.48 1v1c h LEU 38 CO -0.00 -0.05 -0.58 0.00 -0.62 0.00 0.00 178.44 177.19 1v1c s ARG 39 N -3.16 0.10 0.21 1.25 1.70 -1.10 -4.34 118.95 113.61 1v1c s ARG 39 Ca -0.01 0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 55.69 1v1c s ARG 39 Cb 0.00 -0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 1v1c s ARG 39 CO 0.03 -0.20 0.44 -1.58 -1.08 0.00 0.00 175.30 172.90 1v1c s TRP 40 N 1.52 3.48 -0.17 5.89 0.51 -1.22 -4.65 118.94 124.30 1v1c s TRP 40 Ca -0.06 0.50 -0.28 0.00 -2.12 0.00 0.00 56.10 54.14 1v1c s TRP 40 Cb -0.11 -1.98 -0.00 0.00 -0.81 0.00 0.00 33.47 30.56 1v1c s TRP 40 CO -0.07 0.34 0.98 -1.17 -0.51 0.00 0.00 176.95 176.52 1v1c s LEU 41 N -3.17 4.17 0.25 2.99 2.96 -1.07 -3.33 118.68 121.49 1v1c s LEU 41 Ca 0.41 1.39 0.07 0.00 -0.22 0.00 0.00 54.13 55.78 1v1c s LEU 41 Cb -0.11 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1v1c s LEU 41 CO 0.28 -0.53 -0.09 0.68 -1.32 0.00 0.00 176.35 175.36 1v1c s VAL 42 N 2.52 1.68 -0.17 1.68 -7.23 -1.13 -0.36 120.40 117.40 1v1c s VAL 42 Ca 0.44 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1v1c s VAL 42 Cb -0.17 -2.28 0.07 0.00 0.56 0.00 0.00 36.38 34.56 1v1c s VAL 42 CO 0.12 -0.42 0.15 -0.60 -0.31 0.00 0.00 175.10 174.04 1v1c s ARG 43 N -3.69 0.10 0.58 4.82 3.52 -0.94 -2.45 118.95 120.89 1v1c s ARG 43 Ca 0.27 0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.80 1v1c s ARG 43 Cb 0.02 -1.34 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 1v1c s ARG 43 CO 0.10 -0.60 1.23 0.25 -0.81 0.00 0.00 175.30 175.47 1v1c n THR 44 N 5.30 4.10 -3.03 4.11 -2.24 -1.01 -4.00 114.28 117.51 1v1c n THR 44 Ca -0.06 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.85 1v1c n THR 44 Cb 0.49 -1.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 1v1c n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1v1c s LYS 45 N -2.97 4.38 0.33 -0.78 1.02 -1.26 -4.36 119.74 116.11 1v1c s LYS 45 Ca 0.76 1.01 -0.07 0.00 0.02 0.00 0.00 55.97 57.69 1v1c s LYS 45 Cb -0.41 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 1v1c s LYS 45 CO 0.46 0.44 0.63 -1.25 -0.92 0.00 0.00 175.35 174.71 1v1c s PRO 46 N -1.73 3.68 -0.41 -1.68 0.04 -1.26 -4.94 135.00 128.71 1v1c s PRO 46 Ca 0.41 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1v1c s PRO 46 Cb -0.19 -2.55 0.37 0.00 0.04 0.00 0.00 34.50 32.16 1v1c s PRO 46 CO 0.23 0.12 1.89 0.25 0.04 0.00 0.00 177.00 179.52 1v1c n THR 47 N -1.09 2.92 -1.40 1.26 -2.24 -1.26 -4.80 114.28 107.67 1v1c n THR 47 Ca -0.00 -1.87 -0.14 0.00 -2.27 0.00 0.00 64.05 59.77 1v1c n THR 47 Cb 0.54 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 1v1c n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1v1c n LYS 48 N -0.34 -1.30 0.00 -0.78 5.02 -1.26 -4.43 118.16 115.07 1v1c n LYS 48 Ca 0.43 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.69 1v1c n LYS 48 Cb 0.86 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 1v1c n LYS 48 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v1c n SER 49 N -0.81 0.00 -4.67 4.39 2.88 -1.26 -5.11 113.62 109.05 1v1c n SER 49 Ca -0.14 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.99 1v1c n SER 49 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1v1c n SER 49 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v1c s SER 50 N -0.94 6.98 0.25 -3.46 0.15 -1.26 -5.01 113.70 110.41 1v1c s SER 50 Ca 0.00 1.20 -0.31 0.00 0.70 0.00 0.00 55.95 57.54 1v1c s SER 50 Cb 0.00 -2.46 -0.12 0.00 -1.71 0.00 0.00 66.02 61.72 1v1c s SER 50 CO 0.00 -0.42 1.55 -0.81 1.20 0.00 0.00 173.24 174.76 1v1c n PRO 51 N 5.30 2.44 -2.77 5.44 -0.04 -1.26 -4.02 135.00 140.09 1v1c n PRO 51 Ca 0.05 0.87 -0.34 0.00 -0.04 0.00 0.00 63.50 64.04 1v1c n PRO 51 Cb 0.49 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 1v1c n PRO 51 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1v1c s SER 52 N 0.54 6.91 -0.01 3.54 0.01 -1.26 -4.94 113.70 118.49 1v1c s SER 52 Ca 0.68 1.75 0.05 0.00 1.31 0.00 0.00 55.95 59.74 1v1c s SER 52 Cb -0.56 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.10 1v1c s SER 52 CO 0.46 -0.38 -0.16 -0.60 0.41 0.00 0.00 173.24 172.98 1v1c s ARG 53 N -3.02 1.29 -0.16 12.44 6.06 -1.26 -5.01 118.95 129.28 1v1c s ARG 53 Ca 0.61 -0.55 -0.02 0.00 -2.50 0.00 0.00 55.73 53.26 1v1c s ARG 53 Cb -0.12 -1.23 -0.02 0.00 0.06 0.00 0.00 34.95 33.64 1v1c s ARG 53 CO 0.16 0.33 -0.08 -1.14 -2.50 0.00 0.00 175.30 172.06 1v1c s GLN 54 N -0.33 3.46 0.16 5.12 0.74 -1.26 -2.40 119.66 125.15 1v1c s GLN 54 Ca 0.05 -0.62 -0.14 0.00 0.05 0.00 0.00 55.36 54.70 1v1c s GLN 54 Cb -0.06 -2.81 0.02 0.00 1.10 0.00 0.00 33.01 31.25 1v1c s GLN 54 CO -0.00 0.10 0.40 0.20 -0.55 0.00 0.00 175.29 175.44 1v1c s GLY 55 N 0.67 0.02 -0.13 2.59 0.00 -1.03 -4.92 107.32 104.53 1v1c s GLY 55 Ca -0.04 -0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 1v1c s GLY 55 CO 0.02 -0.47 0.57 -0.98 0.00 0.00 0.00 173.10 172.25 1v1c s TRP 56 N -3.88 3.49 0.31 1.90 0.52 -1.25 -2.84 118.94 117.20 1v1c s TRP 56 Ca 0.09 0.99 0.09 0.00 0.02 0.00 0.00 56.10 57.29 1v1c s TRP 56 Cb 0.01 -2.68 -0.06 0.00 -1.15 0.00 0.00 33.47 29.59 1v1c s TRP 56 CO -0.05 0.05 -0.11 0.14 0.02 0.00 0.00 176.95 177.00 1v1c s VAL 57 N 1.02 2.12 -0.31 4.03 -7.23 -1.21 -4.61 120.40 114.21 1v1c s VAL 57 Ca 0.30 -2.23 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1v1c s VAL 57 Cb -0.16 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1v1c s VAL 57 CO 0.12 -0.29 0.44 -0.44 -0.31 0.00 0.00 175.10 174.63 1v1c s SER 58 N -3.53 6.29 0.01 4.85 0.01 -1.26 -3.38 113.70 116.69 1v1c s SER 58 Ca 0.31 0.10 0.11 0.00 1.31 0.00 0.00 55.95 57.78 1v1c s SER 58 Cb 0.01 -2.24 0.49 0.00 0.21 0.00 0.00 66.02 64.49 1v1c s SER 58 CO 0.15 -0.34 1.37 -0.81 0.41 0.00 0.00 173.24 174.01 1v1c n PRO 59 N 5.52 0.01 0.09 12.44 -0.04 -1.26 -2.66 135.00 149.11 1v1c n PRO 59 Ca -0.07 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1v1c n PRO 59 Cb 0.50 -1.52 0.37 0.00 -0.04 0.00 0.00 33.50 32.80 1v1c n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v1c h ALA 60 N 2.37 1.47 -0.22 0.55 0.00 -1.92 -2.42 119.26 119.09 1v1c h ALA 60 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1v1c h ALA 60 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1v1c h ALA 60 CO 0.00 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.28 1v1c n TYR 61 N -4.27 0.27 -4.25 0.00 4.01 -1.09 -4.96 117.16 106.88 1v1c n TYR 61 Ca -0.00 -0.18 -0.31 0.00 -0.16 0.00 0.00 57.90 57.24 1v1c n TYR 61 Cb 0.27 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.31 3.36 -0.14 7.72 1.02 -0.91 -4.16 118.68 124.25 1v1c s LEU 62 Ca 0.27 -0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1v1c s LEU 62 Cb 0.17 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.37 1v1c s LEU 62 CO 0.24 0.22 -0.17 -1.81 0.02 0.00 0.00 176.35 174.85 1v1c s ASP 63 N -1.91 2.83 0.40 2.29 1.01 -1.21 -4.87 116.67 115.20 1v1c s ASP 63 Ca 0.22 -0.54 -0.27 0.00 0.71 0.00 0.00 52.55 52.68 1v1c s ASP 63 Cb -0.11 -1.29 -0.09 0.00 1.01 0.00 0.00 42.92 42.44 1v1c s ASP 63 CO 0.13 0.00 1.37 -0.60 0.21 0.00 0.00 175.17 176.29 1v1c s ARG 64 N 1.18 3.98 -0.03 8.23 3.52 -1.26 -2.28 118.95 132.29 1v1c s ARG 64 Ca -0.00 2.31 -0.00 0.00 -0.13 0.00 0.00 55.73 57.90 1v1c s ARG 64 Cb -0.14 -2.82 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1v1c s ARG 64 CO -0.07 -0.54 0.03 0.50 -0.81 0.00 0.00 175.30 174.41 1v1c s ARG 65 N -2.20 0.04 -0.32 5.12 6.06 -1.12 -4.93 118.95 121.60 1v1c s ARG 65 Ca 0.56 0.19 0.03 0.00 -2.50 0.00 0.00 55.73 54.01 1v1c s ARG 65 Cb -0.41 -0.35 0.09 0.00 0.06 0.00 0.00 34.95 34.34 1v1c s ARG 65 CO 0.54 -0.19 0.03 -0.51 -2.50 0.00 0.00 175.30 172.67 1v1c s LEU 66 N 1.23 4.18 -0.10 -0.88 1.02 -1.26 -4.11 118.68 118.77 1v1c s LEU 66 Ca -0.07 -1.94 -0.14 0.00 0.02 0.00 0.00 54.13 51.99 1v1c s LEU 66 Cb -0.13 -1.51 -0.05 0.00 0.02 0.00 0.00 46.19 44.53 1v1c s LEU 66 CO -0.03 -0.35 0.35 -1.59 0.02 0.00 0.00 176.35 174.75 1v1c s LYS 67 N 1.04 4.09 0.00 1.70 -2.85 -1.26 -5.20 119.74 117.25 1v1c s LYS 67 Ca 0.07 0.24 0.32 0.00 -1.00 0.00 0.00 55.97 55.60 1v1c s LYS 67 Cb -0.19 -3.34 1.90 0.00 -2.06 0.00 0.00 37.83 34.14 1v1c s LYS 67 CO -0.09 0.42 2.22 -0.11 0.10 0.00 0.00 175.35 177.88