#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1c s PHE 2 N 0.00 1.17 -0.42 4.28 0.08 -1.26 -5.04 117.98 116.79 1v1c s PHE 2 Ca 0.00 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 1v1c s PHE 2 Cb 0.00 -0.78 0.06 0.00 -0.57 0.00 0.00 43.02 41.73 1v1c s PHE 2 CO 0.00 -0.06 0.28 -0.51 -0.10 0.00 0.00 175.22 174.82 1v1c s ASP 3 N -0.11 5.79 -0.32 1.36 1.11 -1.26 -4.88 116.67 118.36 1v1c s ASP 3 Ca 0.01 -1.30 -0.26 0.00 0.18 0.00 0.00 52.55 51.18 1v1c s ASP 3 Cb -0.07 -2.05 0.01 0.00 1.07 0.00 0.00 42.92 41.88 1v1c s ASP 3 CO 0.00 -0.52 0.91 -0.63 1.18 0.00 0.00 175.17 176.11 1v1c s ILE 4 N 1.52 4.67 -0.20 0.77 1.01 -1.25 -1.35 121.20 126.36 1v1c s ILE 4 Ca 0.03 1.39 -0.13 0.00 0.00 0.00 0.00 60.65 61.94 1v1c s ILE 4 Cb -0.22 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1v1c s ILE 4 CO 0.05 -0.36 0.26 -0.31 0.00 0.00 0.00 174.94 174.58 1v1c s TYR 5 N 3.25 3.38 -0.02 3.97 2.02 -0.51 -2.35 117.35 127.09 1v1c s TYR 5 Ca 0.38 0.45 -0.18 0.00 -0.37 0.00 0.00 57.07 57.35 1v1c s TYR 5 Cb -0.13 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 1v1c s TYR 5 CO 0.14 0.11 0.49 0.54 -1.57 0.00 0.00 175.55 175.26 1v1c s VAL 6 N 0.91 5.00 -0.16 0.71 0.11 -0.58 -3.29 120.40 123.10 1v1c s VAL 6 Ca 0.13 1.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.97 1v1c s VAL 6 Cb -0.13 -3.82 -0.02 0.00 -1.53 0.00 0.00 36.38 30.87 1v1c s VAL 6 CO 0.05 0.47 0.72 -0.69 -3.33 0.00 0.00 175.10 172.31 1v1c s VAL 7 N -0.40 4.98 -0.02 2.04 1.01 -1.05 -2.52 120.40 124.43 1v1c s VAL 7 Ca 0.27 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1v1c s VAL 7 Cb -0.17 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.22 1v1c s VAL 7 CO 0.14 0.11 0.96 0.35 0.00 0.00 0.00 175.10 176.67 1v1c n THR 8 N 4.49 0.29 -0.25 3.92 -2.24 -1.26 -0.44 114.28 118.79 1v1c n THR 8 Ca 0.01 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1v1c n THR 8 Cb 0.50 0.46 0.00 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 -0.21 1.76 -2.80 6.98 0.00 -1.26 -5.03 120.51 119.95 1v1c n ALA 9 Ca 0.02 -0.79 -0.00 0.00 0.00 0.00 0.00 53.44 52.67 1v1c n ALA 9 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.31 -7.65 -4.23 0.00 2.03 -1.26 -4.94 116.55 100.19 1v1c n ASP 10 Ca 0.00 1.26 -0.42 0.00 0.52 0.00 0.00 54.79 56.15 1v1c n ASP 10 Cb 0.27 -4.68 -0.06 0.00 -0.72 0.00 0.00 41.12 35.93 1v1c n ASP 10 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1v1c s TYR 11 N -1.50 3.55 -0.09 -0.67 6.14 -1.26 -4.95 117.35 118.57 1v1c s TYR 11 Ca -0.01 -2.18 0.04 0.00 0.64 0.00 0.00 57.07 55.56 1v1c s TYR 11 Cb 0.00 -3.55 -0.01 0.00 0.42 0.00 0.00 41.96 38.82 1v1c s TYR 11 CO 0.65 -0.94 -0.20 -0.51 0.64 0.00 0.00 175.55 175.19 1v1c s LEU 12 N 0.40 2.36 0.29 6.97 1.02 -1.26 -3.65 118.68 124.81 1v1c s LEU 12 Ca 0.14 -0.42 -0.30 0.00 0.02 0.00 0.00 54.13 53.57 1v1c s LEU 12 Cb -0.18 -1.48 -0.11 0.00 0.02 0.00 0.00 46.19 44.44 1v1c s LEU 12 CO -0.05 0.22 1.58 -2.84 0.02 0.00 0.00 176.35 175.28 1v1c s PRO 13 N -0.01 4.14 -0.67 1.29 0.02 -1.26 -4.96 135.00 133.55 1v1c s PRO 13 Ca -0.06 2.55 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 1v1c s PRO 13 Cb -0.15 -3.03 0.15 0.00 0.02 0.00 0.00 34.50 31.49 1v1c s PRO 13 CO 0.05 -0.61 0.69 -0.48 -0.33 0.00 0.00 177.00 176.31 1v1c s LEU 14 N -0.45 6.02 0.00 -5.54 0.05 -1.26 -4.90 118.68 112.60 1v1c s LEU 14 Ca 0.63 -1.96 0.00 0.00 0.05 0.00 0.00 54.13 52.85 1v1c s LEU 14 Cb -0.47 -2.25 0.00 0.00 -2.05 0.00 0.00 46.19 41.41 1v1c s LEU 14 CO 0.47 -0.87 0.00 0.61 -0.55 0.00 0.00 176.35 176.01 1v1c n GLY 15 N 4.92 1.75 2.95 -3.48 0.00 -1.26 -4.55 105.19 105.52 1v1c n GLY 15 Ca -0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.04 2.46 0.14 4.61 0.00 -1.26 -5.11 121.76 121.56 1v1c s ALA 16 Ca 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 51.96 49.87 1v1c s ALA 16 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1v1c s ALA 16 CO 0.00 -1.57 0.11 -2.00 0.00 0.00 0.00 175.76 172.30 1v1c s GLU 17 N 1.13 2.87 0.09 0.00 2.56 -1.26 -5.11 118.70 118.98 1v1c s GLU 17 Ca 0.07 -0.83 -0.20 0.00 0.00 0.00 0.00 54.97 54.01 1v1c s GLU 17 Cb -0.19 -2.65 -0.07 0.00 2.00 0.00 0.00 34.13 33.22 1v1c s GLU 17 CO -0.11 0.51 0.59 -0.65 -0.56 0.00 0.00 175.26 175.03 1v1c s GLN 18 N -2.89 4.23 -1.80 4.30 1.11 -1.26 -4.20 119.66 119.15 1v1c s GLN 18 Ca 0.30 0.77 -0.23 0.00 0.01 0.00 0.00 55.36 56.22 1v1c s GLN 18 Cb -0.11 -3.23 0.23 0.00 -1.01 0.00 0.00 33.01 28.89 1v1c s GLN 18 CO 0.23 0.63 0.58 -0.40 0.01 0.00 0.00 175.29 176.34 1v1c n ASP 19 N 1.67 -1.86 -4.50 5.90 5.75 -1.26 -4.91 116.55 117.35 1v1c n ASP 19 Ca -0.10 -1.17 -0.34 0.00 -0.01 0.00 0.00 54.79 53.18 1v1c n ASP 19 Cb 0.51 -1.62 -0.12 0.00 -1.03 0.00 0.00 41.12 38.85 1v1c n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v1c s ALA 20 N -3.20 2.93 -0.06 2.12 0.00 -1.26 -2.98 121.76 119.31 1v1c s ALA 20 Ca 0.80 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1v1c s ALA 20 Cb -0.47 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1v1c s ALA 20 CO 0.98 0.31 0.11 -1.50 0.00 0.00 0.00 175.76 175.66 1v1c s ILE 21 N 0.08 5.06 -0.26 0.00 2.07 -1.26 -4.98 121.20 121.91 1v1c s ILE 21 Ca -0.02 -0.12 -0.29 0.00 -1.41 0.00 0.00 60.65 58.82 1v1c s ILE 21 Cb -0.14 -3.26 -0.02 0.00 0.13 0.00 0.00 42.46 39.17 1v1c s ILE 21 CO 0.03 0.48 1.73 0.42 -1.91 0.00 0.00 174.94 175.69 1v1c s THR 22 N -1.11 3.55 0.09 4.00 -4.23 -1.26 -4.80 115.64 111.88 1v1c s THR 22 Ca 0.19 0.59 0.09 0.00 -1.18 0.00 0.00 61.69 61.38 1v1c s THR 22 Cb -0.12 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1v1c s THR 22 CO 0.09 -0.33 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.86 1v1c s LEU 23 N 6.03 2.27 0.08 4.79 1.43 -1.24 -5.11 118.68 126.94 1v1c s LEU 23 Ca 0.77 -0.66 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1v1c s LEU 23 Cb -0.25 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1v1c s LEU 23 CO 0.32 0.11 -0.26 -0.13 0.23 0.00 0.00 176.35 176.62 1v1c s ARG 24 N -1.75 1.64 -0.42 1.70 0.52 -1.26 -4.22 118.95 115.16 1v1c s ARG 24 Ca 0.08 -1.21 -0.27 0.00 -0.52 0.00 0.00 55.73 53.81 1v1c s ARG 24 Cb -0.10 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 1v1c s ARG 24 CO 0.04 0.49 2.17 -2.00 0.02 0.00 0.00 175.30 176.02 1v1c s GLU 25 N -1.64 2.64 0.00 3.54 2.12 -1.26 -2.41 118.70 121.68 1v1c s GLU 25 Ca 0.13 1.43 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1v1c s GLU 25 Cb -0.10 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 29.85 1v1c s GLU 25 CO 0.04 -2.67 0.00 0.41 -0.54 0.00 0.00 175.26 172.50 1v1c n GLY 26 N 5.80 1.14 3.98 -1.50 0.00 0.42 -4.94 105.19 110.09 1v1c n GLY 26 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 2.89 -0.02 1.61 -0.21 -1.01 -4.91 119.66 118.01 1v1c s GLN 27 Ca 0.00 -1.20 0.04 0.00 0.02 0.00 0.00 55.36 54.22 1v1c s GLN 27 Cb 0.00 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 1v1c s GLN 27 CO 0.00 -0.12 -0.12 0.71 -2.12 0.00 0.00 175.29 173.64 1v1c s TYR 28 N -2.30 1.13 -0.28 0.91 2.02 -1.26 -2.54 117.35 115.02 1v1c s TYR 28 Ca 0.50 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.84 1v1c s TYR 28 Cb -0.09 -0.75 0.11 0.00 -0.40 0.00 0.00 41.96 40.83 1v1c s TYR 28 CO 0.31 -0.05 0.64 0.54 -1.57 0.00 0.00 175.55 175.43 1v1c s VAL 29 N -0.17 -0.61 0.57 0.71 0.11 -1.21 -4.32 120.40 115.49 1v1c s VAL 29 Ca 0.02 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 1v1c s VAL 29 Cb -0.06 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1v1c s VAL 29 CO -0.00 0.01 1.05 -1.83 -3.33 0.00 0.00 175.10 171.00 1v1c s GLU 30 N 2.41 3.43 0.11 1.54 -1.05 -1.26 -1.42 118.70 122.45 1v1c s GLU 30 Ca -0.07 1.22 -0.12 0.00 -0.15 0.00 0.00 54.97 55.85 1v1c s GLU 30 Cb -0.10 -2.05 -0.06 0.00 -0.44 0.00 0.00 34.13 31.49 1v1c s GLU 30 CO -0.19 -0.72 0.46 0.54 0.95 0.00 0.00 175.26 176.30 1v1c s VAL 31 N -2.38 4.99 0.00 1.83 0.11 -0.46 -3.21 120.40 121.28 1v1c s VAL 31 Ca 0.64 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.31 1v1c s VAL 31 Cb -0.16 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 1v1c s VAL 31 CO 0.34 0.28 0.00 0.18 -3.33 0.00 0.00 175.10 172.56 1v1c n LEU 32 N 0.88 0.00 0.00 2.54 4.77 -0.15 -4.38 117.00 120.66 1v1c n LEU 32 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1v1c n LEU 32 Cb 0.52 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1v1c n LEU 32 CO 0.42 -0.04 0.34 -0.67 -1.33 0.00 0.00 177.39 176.12 1v1c n ASP 33 N -1.38 0.00 -2.50 -1.43 2.03 -1.17 -5.01 116.55 107.09 1v1c n ASP 33 Ca 0.00 0.76 -0.01 0.00 0.52 0.00 0.00 54.79 56.06 1v1c n ASP 33 Cb 0.00 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.02 1v1c n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v1c n ALA 34 N -1.62 -3.48 -0.31 -1.67 0.00 -1.26 -4.97 120.51 107.20 1v1c n ALA 34 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1v1c n ALA 34 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1v1c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1c n ALA 35 N 0.83 1.26 -1.73 0.00 0.00 -1.26 -5.06 120.51 114.55 1v1c n ALA 35 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1v1c n ALA 35 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 1v1c n ALA 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1v1c s HIS 36 N -0.69 1.39 0.57 0.00 5.04 -1.26 -4.84 115.29 115.51 1v1c s HIS 36 Ca 0.00 0.00 0.30 0.00 -1.54 0.00 0.00 55.06 53.83 1v1c s HIS 36 Cb 0.00 -4.10 1.43 0.00 0.04 0.00 0.00 32.58 29.95 1v1c s HIS 36 CO 0.00 -4.70 1.82 -1.35 -2.34 0.00 0.00 174.74 168.17 1v1c h PRO 37 N 11.87 0.00 0.76 2.88 0.11 -2.03 -2.40 132.00 143.19 1v1c h PRO 37 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1v1c h PRO 37 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1v1c h PRO 37 CO 0.96 0.00 -0.36 1.25 -0.21 0.00 0.00 178.00 179.63 1v1c h LEU 38 N 0.00 -0.86 -7.77 2.35 5.85 -1.97 -3.46 115.31 109.45 1v1c h LEU 38 Ca 0.34 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.97 1v1c h LEU 38 Cb 1.65 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 42.72 1v1c h LEU 38 CO -0.00 -0.59 -0.44 0.00 -0.34 0.00 0.00 178.44 177.06 1v1c s ARG 39 N -5.13 0.63 0.12 1.25 1.70 -0.90 -4.40 118.95 112.21 1v1c s ARG 39 Ca -0.15 -0.61 0.10 0.00 -0.47 0.00 0.00 55.73 54.61 1v1c s ARG 39 Cb 0.01 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1v1c s ARG 39 CO 0.44 -0.17 -0.26 -1.58 -1.08 0.00 0.00 175.30 172.65 1v1c s TRP 40 N -2.33 2.24 -0.26 5.89 0.51 -1.14 -4.23 118.94 119.62 1v1c s TRP 40 Ca -0.07 -0.39 -0.28 0.00 -2.12 0.00 0.00 56.10 53.24 1v1c s TRP 40 Cb -0.02 -1.23 0.01 0.00 -0.81 0.00 0.00 33.47 31.42 1v1c s TRP 40 CO -0.03 0.30 1.02 -1.17 -0.51 0.00 0.00 176.95 176.56 1v1c s LEU 41 N -1.96 4.05 0.01 2.99 2.96 -1.26 -2.98 118.68 122.49 1v1c s LEU 41 Ca 0.13 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 1v1c s LEU 41 Cb -0.10 -3.49 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1v1c s LEU 41 CO 0.05 -0.71 -0.07 0.68 -1.32 0.00 0.00 176.35 174.98 1v1c s VAL 42 N 3.29 0.50 -0.15 1.68 -7.23 -1.23 -0.98 120.40 116.29 1v1c s VAL 42 Ca 0.43 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1v1c s VAL 42 Cb -0.14 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1v1c s VAL 42 CO 0.09 -0.02 -0.19 0.00 -0.31 0.00 0.00 175.10 174.67 1v1c s ARG 43 N -0.58 3.10 0.23 4.82 1.70 -1.20 -1.42 118.95 125.61 1v1c s ARG 43 Ca -0.01 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 1v1c s ARG 43 Cb -0.05 -2.51 -0.09 0.00 -0.57 0.00 0.00 34.95 31.73 1v1c s ARG 43 CO 0.00 0.00 1.37 0.95 -1.08 0.00 0.00 175.30 176.54 1v1c s THR 44 N 0.80 2.92 0.36 4.99 -4.23 -0.61 -4.04 115.64 115.83 1v1c s THR 44 Ca -0.07 0.77 -0.28 0.00 -1.18 0.00 0.00 61.69 60.94 1v1c s THR 44 Cb -0.15 -3.49 -0.11 0.00 1.34 0.00 0.00 72.50 70.09 1v1c s THR 44 CO -0.01 0.12 1.42 -0.54 -0.54 0.00 0.00 174.62 175.07 1v1c s LYS 45 N -0.35 4.18 -0.26 3.99 1.02 -1.26 -4.27 119.74 122.78 1v1c s LYS 45 Ca 0.57 2.43 -0.21 0.00 0.02 0.00 0.00 55.97 58.78 1v1c s LYS 45 Cb -0.39 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1v1c s LYS 45 CO 0.41 -0.42 0.67 -1.25 -0.92 0.00 0.00 175.35 173.85 1v1c s PRO 46 N -2.01 4.10 -0.06 -1.68 0.04 -1.26 -4.99 135.00 129.14 1v1c s PRO 46 Ca 0.52 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 1v1c s PRO 46 Cb -0.44 -3.66 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1v1c s PRO 46 CO 0.59 -0.46 0.39 -0.08 0.04 0.00 0.00 177.00 177.48 1v1c s THR 47 N 2.60 5.13 0.00 1.26 -1.32 -1.26 -4.75 115.64 117.30 1v1c s THR 47 Ca 0.28 0.78 0.00 0.00 -1.21 0.00 0.00 61.69 61.54 1v1c s THR 47 Cb -0.15 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.13 1v1c s THR 47 CO 0.09 0.50 0.00 1.17 -2.21 0.00 0.00 174.62 174.17 1v1c n LYS 48 N 2.49 0.00 -0.90 7.08 3.00 -1.26 -1.28 118.16 127.28 1v1c n LYS 48 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.15 1v1c n LYS 48 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.52 1v1c n LYS 48 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1v1c n SER 49 N 1.82 -0.43 -4.73 3.14 7.64 -1.26 -5.12 113.62 114.68 1v1c n SER 49 Ca 0.00 -1.74 -0.41 0.00 1.01 0.00 0.00 58.87 57.73 1v1c n SER 49 Cb 0.00 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1v1c n SER 49 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v1c s SER 50 N -0.86 7.44 0.32 6.43 1.04 -0.40 -5.00 113.70 122.66 1v1c s SER 50 Ca 0.04 1.72 -0.28 0.00 0.48 0.00 0.00 55.95 57.91 1v1c s SER 50 Cb 0.05 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.47 1v1c s SER 50 CO -0.02 -0.10 1.26 -0.81 0.98 0.00 0.00 173.24 174.55 1v1c n PRO 51 N 3.02 1.99 -3.43 4.02 -0.04 -1.26 -4.37 135.00 134.94 1v1c n PRO 51 Ca 0.03 0.70 -0.37 0.00 -0.04 0.00 0.00 63.50 63.81 1v1c n PRO 51 Cb 0.50 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 1v1c n PRO 51 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v1c s SER 52 N -0.27 6.65 0.17 3.54 1.04 -1.26 -4.87 113.70 118.70 1v1c s SER 52 Ca 0.57 0.77 0.08 0.00 0.48 0.00 0.00 55.95 57.86 1v1c s SER 52 Cb -0.60 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.23 1v1c s SER 52 CO 0.60 0.12 -0.16 -0.13 0.98 0.00 0.00 173.24 174.65 1v1c s ARG 53 N 0.08 1.25 -0.08 4.02 1.81 -1.26 -5.00 118.95 119.77 1v1c s ARG 53 Ca 0.23 -1.44 0.02 0.00 -1.72 0.00 0.00 55.73 52.82 1v1c s ARG 53 Cb -0.15 -1.20 0.01 0.00 -0.45 0.00 0.00 34.95 33.17 1v1c s ARG 53 CO 0.09 0.23 -0.13 1.14 -0.68 0.00 0.00 175.30 175.95 1v1c s GLN 54 N -3.04 1.84 0.01 3.54 -2.07 -1.26 -1.57 119.66 117.11 1v1c s GLN 54 Ca 0.17 -0.45 -0.01 0.00 -1.82 0.00 0.00 55.36 53.25 1v1c s GLN 54 Cb -0.04 -1.53 -0.01 0.00 -1.09 0.00 0.00 33.01 30.34 1v1c s GLN 54 CO 0.06 0.01 0.01 0.20 -1.32 0.00 0.00 175.29 174.25 1v1c s GLY 55 N 0.75 0.10 -0.21 2.60 0.00 -0.51 -4.95 107.32 105.12 1v1c s GLY 55 Ca -0.13 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1v1c s GLY 55 CO 0.03 -0.29 1.29 -0.98 0.00 0.00 0.00 173.10 173.14 1v1c s TRP 56 N -0.77 2.76 0.40 1.90 0.52 -1.16 -3.52 118.94 119.07 1v1c s TRP 56 Ca -0.08 0.94 0.08 0.00 0.02 0.00 0.00 56.10 57.05 1v1c s TRP 56 Cb -0.05 -3.65 -0.05 0.00 -1.15 0.00 0.00 33.47 28.57 1v1c s TRP 56 CO -0.00 -1.77 0.20 0.08 0.02 0.00 0.00 176.95 175.47 1v1c s VAL 57 N 3.85 2.50 -0.51 4.03 1.01 -1.16 -4.54 120.40 125.59 1v1c s VAL 57 Ca 0.56 -1.65 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 1v1c s VAL 57 Cb -0.20 -2.99 0.08 0.00 0.00 0.00 0.00 36.38 33.26 1v1c s VAL 57 CO 0.18 -0.04 0.54 -0.44 0.00 0.00 0.00 175.10 175.34 1v1c s SER 58 N -3.93 6.19 0.00 3.32 0.01 -1.26 -2.88 113.70 115.15 1v1c s SER 58 Ca 0.41 -1.20 0.06 0.00 1.31 0.00 0.00 55.95 56.53 1v1c s SER 58 Cb 0.01 -2.25 0.27 0.00 0.21 0.00 0.00 66.02 64.27 1v1c s SER 58 CO 0.23 -0.83 1.10 -0.81 0.41 0.00 0.00 173.24 173.34 1v1c n PRO 59 N 5.76 0.05 0.00 12.44 -0.04 -1.26 -1.97 135.00 149.97 1v1c n PRO 59 Ca -0.10 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1v1c n PRO 59 Cb 0.44 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.38 2.34 -0.99 0.55 0.00 -1.26 -2.72 120.51 117.04 1v1c n ALA 60 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1v1c n ALA 60 Cb 0.06 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.10 0.00 -3.11 0.00 4.01 -0.83 -5.09 117.16 111.05 1v1c n TYR 61 Ca 0.16 -0.27 -0.20 0.00 -0.16 0.00 0.00 57.90 57.43 1v1c n TYR 61 Cb 0.12 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.66 3.02 -0.04 7.72 2.01 -1.10 -4.31 118.68 125.31 1v1c s LEU 62 Ca 0.05 -0.92 -0.08 0.00 0.01 0.00 0.00 54.13 53.19 1v1c s LEU 62 Cb 0.04 -1.50 0.01 0.00 0.01 0.00 0.00 46.19 44.75 1v1c s LEU 62 CO 0.00 -1.38 0.19 -0.62 1.01 0.00 0.00 176.35 175.56 1v1c s ASP 63 N -4.66 -0.12 0.01 2.29 -1.08 -1.05 -4.97 116.67 107.08 1v1c s ASP 63 Ca 0.60 0.16 -0.30 0.00 -0.52 0.00 0.00 52.55 52.48 1v1c s ASP 63 Cb -0.05 0.33 -0.06 0.00 -1.46 0.00 0.00 42.92 41.68 1v1c s ASP 63 CO 0.38 -0.21 1.39 -0.60 0.52 0.00 0.00 175.17 176.64 1v1c s ARG 64 N -0.56 4.29 -0.12 4.34 3.52 -1.26 -1.53 118.95 127.63 1v1c s ARG 64 Ca -0.07 1.95 -0.04 0.00 -0.13 0.00 0.00 55.73 57.45 1v1c s ARG 64 Cb -0.04 -3.54 0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1v1c s ARG 64 CO 0.01 -0.55 0.11 0.50 -0.81 0.00 0.00 175.30 174.56 1v1c s ARG 65 N 2.25 0.03 -0.16 5.12 6.06 -0.99 -4.88 118.95 126.38 1v1c s ARG 65 Ca 0.63 0.22 -0.06 0.00 -2.50 0.00 0.00 55.73 54.02 1v1c s ARG 65 Cb -0.31 -1.06 -0.04 0.00 0.06 0.00 0.00 34.95 33.60 1v1c s ARG 65 CO 0.27 -0.50 0.03 -1.17 -2.50 0.00 0.00 175.30 171.43 1v1c s LEU 66 N 2.20 3.66 -1.09 -0.88 1.98 -1.26 -3.89 118.68 119.40 1v1c s LEU 66 Ca 0.04 0.05 -0.07 0.00 -2.89 0.00 0.00 54.13 51.25 1v1c s LEU 66 Cb -0.14 -1.90 0.28 0.00 0.66 0.00 0.00 46.19 45.08 1v1c s LEU 66 CO -0.07 0.21 1.14 0.29 -1.89 0.00 0.00 176.35 176.02 1v1c n LYS 67 N 3.32 3.58 0.00 1.98 4.01 -1.26 -5.13 118.16 124.66 1v1c n LYS 67 Ca -0.17 -4.48 0.00 0.00 -0.51 0.00 0.00 58.31 53.15 1v1c n LYS 67 Cb 0.53 -2.53 0.00 0.00 -0.51 0.00 0.00 35.03 32.52 1v1c n LYS 67 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18