#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r h SER 6 N 0.00 1.10 -0.04 -1.43 4.64 -2.04 -3.45 113.55 112.33 2z0r h SER 6 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2z0r h SER 6 Cb 0.00 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2z0r h SER 6 CO 0.00 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 2z0r n GLY 7 N -1.27 -1.48 3.77 -0.77 0.00 -1.26 -5.00 105.19 99.17 2z0r n GLY 7 Ca 0.10 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 2z0r n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2z0r s THR 8 N -0.02 2.94 -0.13 2.61 2.01 -1.26 -4.99 115.64 116.80 2z0r s THR 8 Ca 0.00 0.71 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 2z0r s THR 8 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2z0r s THR 8 CO 0.00 -0.01 0.05 0.26 -0.69 0.00 0.00 174.62 174.23 2z0r s TRP 9 N -1.50 3.27 -0.21 4.92 0.51 -0.58 -4.68 118.94 120.68 2z0r s TRP 9 Ca 0.64 0.18 -0.04 0.00 -2.12 0.00 0.00 56.10 54.77 2z0r s TRP 9 Cb -0.31 -1.94 -0.02 0.00 -0.81 0.00 0.00 33.47 30.40 2z0r s TRP 9 CO 0.37 0.38 -0.03 0.71 -0.51 0.00 0.00 176.95 177.86 2z0r s TYR 10 N -0.37 2.98 0.30 -1.98 2.02 0.66 0.33 117.35 121.28 2z0r s TYR 10 Ca 0.09 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 56.09 2z0r s TYR 10 Cb -0.12 -2.08 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 2z0r s TYR 10 CO 0.02 -0.40 0.07 0.14 -1.57 0.00 0.00 175.55 173.81 2z0r s VAL 11 N 1.21 0.94 -0.08 0.71 -7.23 -0.75 -0.13 120.40 115.07 2z0r s VAL 11 Ca 0.03 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2z0r s VAL 11 Cb -0.14 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2z0r s VAL 11 CO -0.00 0.00 0.10 -0.76 -0.31 0.00 0.00 175.10 174.13 2z0r s LEU 12 N -3.43 4.12 0.03 1.32 1.43 -1.26 -1.35 118.68 119.55 2z0r s LEU 12 Ca 0.37 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2z0r s LEU 12 Cb 0.08 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2z0r s LEU 12 CO 0.15 0.36 -0.10 -1.61 0.23 0.00 0.00 176.35 175.38 2z0r s GLU 13 N -1.21 0.67 0.00 1.70 2.02 -0.23 -4.54 118.70 117.12 2z0r s GLU 13 Ca 0.17 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2z0r s GLU 13 Cb -0.12 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.52 2z0r s GLU 13 CO 0.07 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2z0r n GLY 14 N 1.97 2.69 3.79 -1.39 0.00 -0.76 -1.00 105.19 110.50 2z0r n GLY 14 Ca -0.19 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 2z0r n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2z0r s ASP 15 N 1.00 4.80 0.20 1.61 -0.00 -1.26 -4.87 116.67 118.15 2z0r s ASP 15 Ca 0.00 1.62 -0.33 0.00 -0.00 0.00 0.00 52.55 53.85 2z0r s ASP 15 Cb 0.00 -2.40 -0.14 0.00 -0.00 0.00 0.00 42.92 40.38 2z0r s ASP 15 CO 0.00 -1.82 1.48 -2.65 -0.00 0.00 0.00 175.17 172.19 2z0r n PRO 16 N -3.37 2.06 0.00 8.23 -0.02 -1.26 -0.34 135.00 140.30 2z0r n PRO 16 Ca 0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2z0r n PRO 16 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2z0r n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2z0r n GLY 17 N 2.73 2.58 3.64 -1.23 0.00 -1.26 -4.93 105.19 106.72 2z0r n GLY 17 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2z0r n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2z0r s GLU 18 N 0.00 4.09 0.44 1.61 2.12 0.53 -4.93 118.70 122.57 2z0r s GLU 18 Ca 0.00 1.18 0.04 0.00 0.36 0.00 0.00 54.97 56.56 2z0r s GLU 18 Cb 0.00 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2z0r s GLU 18 CO 0.00 -0.87 0.02 -1.01 -0.54 0.00 0.00 175.26 172.86 2z0r s HIS 19 N 3.66 2.20 -0.45 5.30 3.76 -1.26 -1.83 115.29 126.67 2z0r s HIS 19 Ca 0.47 -0.83 -0.26 0.00 -0.15 0.00 0.00 55.06 54.29 2z0r s HIS 19 Cb -0.14 -1.64 0.03 0.00 1.11 0.00 0.00 32.58 31.94 2z0r s HIS 19 CO 0.15 0.29 0.97 -1.17 -0.85 0.00 0.00 174.74 174.13 2z0r s LEU 20 N -3.74 3.93 -0.07 0.89 2.96 -1.26 -4.97 118.68 116.41 2z0r s LEU 20 Ca 0.24 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2z0r s LEU 20 Cb 0.07 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 2z0r s LEU 20 CO 0.12 -1.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.28 2z0r s VAL 21 N 3.87 3.26 -0.01 1.68 1.01 -1.26 -4.21 120.40 124.73 2z0r s VAL 21 Ca 0.39 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2z0r s VAL 21 Cb -0.10 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2z0r s VAL 21 CO 0.26 0.58 -0.17 0.54 0.00 0.00 0.00 175.10 176.31 2z0r s VAL 22 N -0.50 1.35 -0.40 2.92 0.11 0.68 -4.94 120.40 119.63 2z0r s VAL 22 Ca 0.07 -0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 58.23 2z0r s VAL 22 Cb -0.12 -1.13 0.02 0.00 -1.53 0.00 0.00 36.38 33.62 2z0r s VAL 22 CO 0.02 0.37 0.28 -1.61 -3.33 0.00 0.00 175.10 170.84 2z0r s GLU 23 N -0.43 2.97 0.21 1.54 2.02 -1.26 -1.28 118.70 122.47 2z0r s GLU 23 Ca 0.07 -1.01 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 2z0r s GLU 23 Cb -0.07 -3.94 0.03 0.00 0.10 0.00 0.00 34.13 30.25 2z0r s GLU 23 CO -0.01 -0.73 0.54 0.00 0.02 0.00 0.00 175.26 175.09 2z0r s ALA 24 N 1.66 -0.93 0.00 5.21 0.00 -1.12 -5.05 121.76 121.54 2z0r s ALA 24 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2z0r s ALA 24 Cb -0.19 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2z0r s ALA 24 CO 0.10 -0.83 0.00 1.28 0.00 0.00 0.00 175.76 176.30 2z0r n LEU 25 N -0.36 0.00 -0.13 0.00 4.77 -1.26 -2.87 117.00 117.16 2z0r n LEU 25 Ca -0.09 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2z0r n LEU 25 Cb 0.62 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.99 2z0r n LEU 25 CO 0.17 0.00 0.51 0.61 -1.33 0.00 0.00 177.39 177.35 2z0r n GLY 26 N 0.00 -0.90 0.00 -0.72 0.00 -1.26 -5.01 105.19 97.30 2z0r n GLY 26 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2z0r n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2z0r n GLU 27 N -1.06 0.00 -3.67 1.61 -0.00 -1.14 -5.15 120.64 111.23 2z0r n GLU 27 Ca 0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.88 2z0r n GLU 27 Cb 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.72 2z0r n GLU 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2z0r s ARG 28 N 1.08 3.93 0.06 3.44 0.52 -1.26 -2.77 118.95 123.95 2z0r s ARG 28 Ca 0.00 0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.25 2z0r s ARG 28 Cb 0.00 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 2z0r s ARG 28 CO 0.00 0.50 -0.07 -0.51 0.02 0.00 0.00 175.30 175.24 2z0r s LEU 29 N -0.29 2.35 0.00 2.53 1.43 -0.41 -3.09 118.68 121.21 2z0r s LEU 29 Ca 0.16 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2z0r s LEU 29 Cb -0.13 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.01 2z0r s LEU 29 CO 0.04 -0.33 0.00 -0.24 0.23 0.00 0.00 176.35 176.06 2z0r n SER 30 N 0.90 1.04 -3.92 2.29 2.88 -0.95 -0.23 113.62 115.63 2z0r n SER 30 Ca -0.19 -0.71 -0.12 0.00 -1.33 0.00 0.00 58.87 56.52 2z0r n SER 30 Cb 0.57 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.90 2z0r n SER 30 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2z0r s GLY 31 N -0.71 0.11 -0.03 0.46 0.00 -1.26 -4.39 107.32 101.51 2z0r s GLY 31 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.54 2z0r s GLY 31 CO 0.00 -0.22 -0.10 -0.42 0.00 0.00 0.00 173.10 172.36 2z0r s ILE 32 N -0.44 0.85 0.06 0.90 1.01 -1.26 -4.53 121.20 117.77 2z0r s ILE 32 Ca -0.04 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.29 2z0r s ILE 32 Cb -0.03 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2z0r s ILE 32 CO -0.00 0.26 -0.20 0.26 0.00 0.00 0.00 174.94 175.26 2z0r s TRP 33 N 0.15 2.51 -0.14 3.97 0.51 0.82 -0.53 118.94 126.22 2z0r s TRP 33 Ca -0.03 -0.28 0.19 0.00 -2.12 0.00 0.00 56.10 53.85 2z0r s TRP 33 Cb -0.08 -1.43 -0.13 0.00 -0.81 0.00 0.00 33.47 31.02 2z0r s TRP 33 CO 0.01 0.26 0.80 2.41 -0.51 0.00 0.00 176.95 179.91 2z0r n THR 34 N 1.46 0.97 -4.99 2.01 -1.04 -1.26 -0.24 114.28 111.18 2z0r n THR 34 Ca -0.16 -0.65 -0.32 0.00 -2.04 0.00 0.00 64.05 60.87 2z0r n THR 34 Cb 0.52 -0.57 -0.15 0.00 -1.82 0.00 0.00 70.33 68.31 2z0r n THR 34 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2z0r s SER 35 N -5.56 3.62 0.46 8.00 0.15 -1.26 -4.86 113.70 114.25 2z0r s SER 35 Ca -0.03 -0.40 0.18 0.00 0.70 0.00 0.00 55.95 56.40 2z0r s SER 35 Cb 0.09 -1.34 1.10 0.00 -1.71 0.00 0.00 66.02 64.16 2z0r s SER 35 CO 0.82 0.20 1.99 -0.09 1.20 0.00 0.00 173.24 177.36 2z0r h ARG 36 N 6.44 0.00 -0.11 5.44 2.43 -1.96 -2.21 114.38 124.41 2z0r h ARG 36 Ca -0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2z0r h ARG 36 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2z0r h ARG 36 CO 0.51 0.19 0.05 1.49 -1.51 0.00 0.00 179.97 180.71 2z0r h GLU 37 N 0.00 0.15 -0.54 0.20 4.57 -1.98 0.11 114.58 117.09 2z0r h GLU 37 Ca -0.00 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 2z0r h GLU 37 Cb 0.38 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2z0r h GLU 37 CO 0.03 0.22 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.92 2z0r h LEU 38 N 0.05 1.01 -0.22 1.64 3.38 -1.89 -0.35 115.31 118.92 2z0r h LEU 38 Ca 0.04 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2z0r h LEU 38 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2z0r h LEU 38 CO -0.00 1.11 0.08 0.00 0.09 0.00 0.00 178.44 179.72 2z0r h ALA 39 N 0.93 0.29 0.00 1.53 0.00 -1.25 -0.08 119.26 120.67 2z0r h ALA 39 Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2z0r h ALA 39 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2z0r h ALA 39 CO 0.04 -0.11 -0.43 0.93 0.00 0.00 0.00 179.25 179.69 2z0r h GLU 40 N 0.20 0.00 -0.20 0.00 5.08 -0.75 -0.68 114.58 118.23 2z0r h GLU 40 Ca 0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 2z0r h GLU 40 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2z0r h GLU 40 CO -0.00 0.43 -0.67 0.00 -1.00 0.00 0.00 179.01 177.77 2z0r h ALA 41 N 1.57 0.45 -0.32 3.43 0.00 -0.78 -0.87 119.26 122.73 2z0r h ALA 41 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2z0r h ALA 41 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2z0r h ALA 41 CO 0.06 0.69 0.01 0.35 0.00 0.00 0.00 179.25 180.36 2z0r h PHE 42 N 0.54 0.61 -0.82 0.00 3.57 -0.71 -2.81 116.94 117.31 2z0r h PHE 42 Ca -0.02 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2z0r h PHE 42 Cb 1.27 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 2z0r h PHE 42 CO 0.07 0.67 0.47 1.25 -2.23 0.00 0.00 178.31 178.55 2z0r h LEU 43 N 0.37 1.00 -2.13 0.59 5.85 -1.06 -1.89 115.31 118.03 2z0r h LEU 43 Ca 0.09 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2z0r h LEU 43 Cb 0.42 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2z0r h LEU 43 CO 0.01 0.79 0.07 0.00 -0.34 0.00 0.00 178.44 178.97 2z0r h ALA 44 N 1.25 1.94 -0.02 1.25 0.00 -0.96 0.09 119.26 122.82 2z0r h ALA 44 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2z0r h ALA 44 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2z0r h ALA 44 CO -0.05 -0.11 -0.11 0.72 0.00 0.00 0.00 179.25 179.70 2z0r n HIS 45 N -4.29 0.00 -3.50 0.00 8.25 -0.77 -4.50 115.22 110.41 2z0r n HIS 45 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 2z0r n HIS 45 Cb 0.18 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 2z0r n HIS 45 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2z0r n HIS 46 N 0.33 1.86 -2.29 4.41 -0.00 0.02 -5.09 115.22 114.45 2z0r n HIS 46 Ca 0.15 -3.92 -0.26 0.00 -0.00 0.00 0.00 57.72 53.69 2z0r n HIS 46 Cb 0.44 -0.38 0.05 0.00 -0.00 0.00 0.00 29.99 30.10 2z0r n HIS 46 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2z0r s PRO 47 N -1.46 2.49 -0.42 -0.41 0.02 -1.25 -4.33 135.00 129.64 2z0r s PRO 47 Ca 0.33 -0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.17 2z0r s PRO 47 Cb 0.08 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2z0r s PRO 47 CO -0.11 -1.01 0.00 0.72 -0.33 0.00 0.00 177.00 176.27 2z0r n HIS 48 N -2.77 0.00 0.14 6.54 8.25 -1.26 -4.84 115.22 121.29 2z0r n HIS 48 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 2z0r n HIS 48 Cb 0.59 -1.46 0.13 0.00 1.12 0.00 0.00 29.99 30.38 2z0r n HIS 48 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2z0r n LEU 49 N -0.45 2.74 -3.02 2.41 4.77 -1.26 -5.27 117.00 116.92 2z0r n LEU 49 Ca -0.04 -1.55 -0.05 0.00 -0.03 0.00 0.00 56.01 54.34 2z0r n LEU 49 Cb 0.31 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2z0r n LEU 49 CO 0.06 0.62 0.19 0.61 -1.33 0.00 0.00 177.39 177.54 2z0r n GLY 50 N 0.80 -1.23 0.00 -0.72 0.00 -1.26 -4.95 105.19 97.83 2z0r n GLY 50 Ca 0.12 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.95 2z0r n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2z0r n ARG 52 N -1.18 0.00 -3.36 1.61 1.85 -0.17 -4.44 116.66 110.98 2z0r n ARG 52 Ca 0.03 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.50 2z0r n ARG 52 Cb 0.50 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.85 2z0r n ARG 52 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2z0r s VAL 53 N -2.00 4.94 0.01 8.89 1.01 -1.26 -1.06 120.40 130.93 2z0r s VAL 53 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2z0r s VAL 53 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2z0r s VAL 53 CO 0.00 0.51 -0.05 -0.94 0.00 0.00 0.00 175.10 174.63 2z0r s SER 54 N -0.72 0.51 -0.17 3.32 1.04 -0.45 -4.96 113.70 112.27 2z0r s SER 54 Ca 0.27 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 2z0r s SER 54 Cb -0.18 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 2z0r s SER 54 CO 0.15 -0.08 0.13 0.00 0.98 0.00 0.00 173.24 174.42 2z0r s ALA 55 N -0.67 3.75 -0.43 5.32 0.00 -1.26 -1.81 121.76 126.65 2z0r s ALA 55 Ca -0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 2z0r s ALA 55 Cb -0.05 -2.08 0.11 0.00 0.00 0.00 0.00 23.12 21.10 2z0r s ALA 55 CO -0.00 0.34 0.27 -0.51 0.00 0.00 0.00 175.76 175.86 2z0r s LEU 56 N -0.18 5.38 -0.15 0.00 1.43 0.15 -4.93 118.68 120.37 2z0r s LEU 56 Ca 0.11 -1.84 -0.04 0.00 -1.03 0.00 0.00 54.13 51.33 2z0r s LEU 56 Cb -0.11 -1.94 -0.24 0.00 0.03 0.00 0.00 46.19 43.93 2z0r s LEU 56 CO 0.00 -0.60 0.22 -0.62 0.23 0.00 0.00 176.35 175.59 2z0r n GLU 57 N 4.80 0.73 -1.89 1.70 4.71 -1.26 -1.53 120.64 127.90 2z0r n GLU 57 Ca -0.07 0.23 -0.33 0.00 -0.01 0.00 0.00 57.16 56.98 2z0r n GLU 57 Cb 0.41 -1.66 0.03 0.00 -1.01 0.00 0.00 31.44 29.21 2z0r n GLU 57 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2z0r s SER 58 N -6.87 5.34 0.32 1.62 0.01 -1.26 -4.86 113.70 107.99 2z0r s SER 58 Ca -0.25 1.99 0.15 0.00 1.31 0.00 0.00 55.95 59.16 2z0r s SER 58 Cb 0.07 -2.55 0.46 0.00 0.21 0.00 0.00 66.02 64.21 2z0r s SER 58 CO 0.73 -1.48 1.64 -0.09 0.41 0.00 0.00 173.24 174.45 2z0r h ARG 59 N 0.30 0.00 0.00 12.44 2.43 -1.94 -1.98 114.38 125.62 2z0r h ARG 59 Ca -0.47 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.59 2z0r h ARG 59 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2z0r h ARG 59 CO 0.55 0.50 -0.51 0.00 -1.51 0.00 0.00 179.97 178.99 2z0r h ALA 60 N 1.50 0.68 0.09 2.80 0.00 -1.94 -2.24 119.26 120.16 2z0r h ALA 60 Ca -0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 2z0r h ALA 60 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2z0r h ALA 60 CO 0.06 0.61 -1.22 -0.07 0.00 0.00 0.00 179.25 178.63 2z0r h LEU 61 N 0.00 0.29 -0.43 0.00 4.07 -1.87 -2.49 115.31 114.87 2z0r h LEU 61 Ca -0.01 -0.32 -0.14 0.00 0.08 0.00 0.00 57.88 57.49 2z0r h LEU 61 Cb 1.38 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2z0r h LEU 61 CO 0.06 1.26 -0.26 0.11 -1.08 0.00 0.00 178.44 178.53 2z0r h LYS 62 N 0.05 0.94 0.11 1.13 1.57 -1.36 -2.49 116.57 116.53 2z0r h LYS 62 Ca -0.12 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 2z0r h LYS 62 Cb 1.92 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.22 2z0r h LYS 62 CO 0.17 1.09 -0.06 0.93 -0.57 0.00 0.00 179.45 181.02 2z0r h GLU 63 N 0.77 -0.15 -0.59 3.15 5.08 -1.44 -1.34 114.58 120.07 2z0r h GLU 63 Ca 0.09 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2z0r h GLU 63 Cb 0.84 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2z0r h GLU 63 CO 0.07 -0.00 0.40 0.00 -1.00 0.00 0.00 179.01 178.47 2z0r h ALA 64 N 0.61 1.93 -0.13 3.43 0.00 -1.43 0.41 119.26 124.08 2z0r h ALA 64 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2z0r h ALA 64 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2z0r h ALA 64 CO 0.03 -0.04 -0.06 -0.92 0.00 0.00 0.00 179.25 178.25 2z0r h TYR 65 N 0.48 0.31 -0.16 0.00 3.20 -1.12 -2.77 116.97 116.91 2z0r h TYR 65 Ca 0.27 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 2z0r h TYR 65 Cb 0.42 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2z0r h TYR 65 CO -0.00 0.61 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.71 2z0r h LEU 66 N -0.08 0.34 -0.72 2.82 3.38 -0.33 -2.41 115.31 118.32 2z0r h LEU 66 Ca 0.03 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2z0r h LEU 66 Cb 0.52 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2z0r h LEU 66 CO 0.02 0.67 -0.42 0.03 0.09 0.00 0.00 178.44 178.82 2z0r h ARG 67 N 0.29 0.48 -0.50 1.13 3.08 -0.98 0.20 114.38 118.08 2z0r h ARG 67 Ca 0.03 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 2z0r h ARG 67 Cb 0.74 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2z0r h ARG 67 CO 0.06 0.82 0.07 0.00 -1.07 0.00 0.00 179.97 179.85 2z0r h ALA 68 N 1.15 0.67 -0.56 0.04 0.00 -1.23 -2.61 119.26 116.73 2z0r h ALA 68 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2z0r h ALA 68 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2z0r h ALA 68 CO 0.08 0.41 0.22 -0.07 0.00 0.00 0.00 179.25 179.89 2z0r h LEU 69 N 0.71 0.77 -1.61 0.00 3.38 -1.19 -1.58 115.31 115.79 2z0r h LEU 69 Ca 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2z0r h LEU 69 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2z0r h LEU 69 CO 0.01 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2z0r n GLY 70 N -0.80 0.00 0.00 0.83 0.00 0.69 -1.04 105.19 104.87 2z0r n GLY 70 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2z0r n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2z0r n LEU 72 N 0.70 0.00 -3.62 0.99 4.77 -0.60 -4.26 117.00 114.98 2z0r n LEU 72 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2z0r n LEU 72 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2z0r n LEU 72 CO 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 177.39 176.27 2z0r n GLN 73 N 0.00 -7.45 -3.58 3.23 1.13 -0.90 -4.96 117.38 104.85 2z0r n GLN 73 Ca 0.00 0.80 -0.41 0.00 -1.94 0.00 0.00 57.00 55.45 2z0r n GLN 73 Cb 0.00 -5.82 -0.11 0.00 0.11 0.00 0.00 30.24 24.42 2z0r n GLN 73 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2z0r s VAL 74 N -3.33 4.61 -0.88 5.09 1.01 -0.21 -4.52 120.40 122.18 2z0r s VAL 74 Ca 0.52 -0.92 0.25 0.00 0.00 0.00 0.00 61.98 61.82 2z0r s VAL 74 Cb -0.23 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2z0r s VAL 74 CO 0.75 -0.29 1.41 -0.62 0.00 0.00 0.00 175.10 176.35 2z0r n GLU 75 N 5.01 0.10 -3.67 2.72 1.02 -1.18 -4.28 120.64 120.37 2z0r n GLU 75 Ca -0.12 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.91 2z0r n GLU 75 Cb 0.46 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 2z0r n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2z0r s ALA 76 N -3.06 -1.13 0.00 0.62 0.00 -1.23 -0.61 121.76 116.35 2z0r s ALA 76 Ca 0.09 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2z0r s ALA 76 Cb 0.16 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2z0r s ALA 76 CO 0.70 -0.34 0.00 1.33 0.00 0.00 0.00 175.76 177.45 2z0r n VAL 77 N 0.99 0.00 -3.66 0.00 0.24 -0.56 -2.25 118.33 113.09 2z0r n VAL 77 Ca -0.20 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 2z0r n VAL 77 Cb 0.57 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 2z0r n VAL 77 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2z0r s VAL 79 N 3.52 -0.59 -1.36 3.34 1.01 0.10 -1.67 120.40 124.74 2z0r s VAL 79 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2z0r s VAL 79 Cb 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2z0r s VAL 79 CO 0.00 0.03 0.61 0.47 0.00 0.00 0.00 175.10 176.22 2z0r n ASP 80 N 5.11 -1.07 -4.76 3.32 8.00 0.31 -4.30 116.55 123.15 2z0r n ASP 80 Ca -0.13 -0.89 -0.38 0.00 0.71 0.00 0.00 54.79 54.10 2z0r n ASP 80 Cb 0.51 -3.67 0.02 0.00 -0.02 0.00 0.00 41.12 37.96 2z0r n ASP 80 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2z0r s TYR 81 N -3.75 2.58 -0.25 1.24 5.04 -1.26 -4.97 117.35 115.98 2z0r s TYR 81 Ca 0.05 1.46 -0.32 0.00 -2.44 0.00 0.00 57.07 55.82 2z0r s TYR 81 Cb -0.03 -3.58 0.17 0.00 0.35 0.00 0.00 41.96 38.87 2z0r s TYR 81 CO 0.84 -2.19 1.29 -0.98 -1.34 0.00 0.00 175.55 173.18 2z0r s ARG 82 N -2.81 0.16 0.87 4.97 1.70 -1.26 -4.94 118.95 117.64 2z0r s ARG 82 Ca 0.68 0.00 -0.11 0.00 -0.47 0.00 0.00 55.73 55.83 2z0r s ARG 82 Cb -0.34 0.08 0.12 0.00 -0.57 0.00 0.00 34.95 34.23 2z0r s ARG 82 CO 0.41 -0.06 1.10 -2.14 -1.08 0.00 0.00 175.30 173.53 2z0r s PRO 83 N -1.46 1.44 -0.81 3.89 0.02 -1.26 -4.08 135.00 132.74 2z0r s PRO 83 Ca 0.08 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.19 2z0r s PRO 83 Cb -0.01 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.70 2z0r s PRO 83 CO -0.05 -2.19 0.00 0.41 -0.33 0.00 0.00 177.00 174.84 2z0r n GLY 84 N -0.78 -0.02 3.76 0.52 0.00 -1.26 -5.04 105.19 102.37 2z0r n GLY 84 Ca 0.08 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 2z0r n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2z0r s THR 85 N -2.47 4.15 -0.04 2.61 2.01 -1.26 -5.04 115.64 115.60 2z0r s THR 85 Ca 0.00 -1.41 -0.22 0.00 0.31 0.00 0.00 61.69 60.37 2z0r s THR 85 Cb 0.00 -3.18 -0.16 0.00 0.01 0.00 0.00 72.50 69.18 2z0r s THR 85 CO 0.00 -0.25 0.95 -0.74 -0.69 0.00 0.00 174.62 173.89 2z0r h HIS 86 N 2.03 -0.25 -4.13 4.92 2.76 -1.96 -3.47 115.15 115.05 2z0r h HIS 86 Ca -0.47 -0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 57.49 2z0r h HIS 86 Cb 1.22 0.08 -0.15 0.00 1.55 0.00 0.00 27.41 30.12 2z0r h HIS 86 CO 0.60 0.16 -0.67 1.03 -1.30 0.00 0.00 177.93 177.75 2z0r s ARG 87 N -3.69 0.87 0.24 5.26 1.81 -1.26 -5.16 118.95 117.01 2z0r s ARG 87 Ca -0.13 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 52.50 2z0r s ARG 87 Cb 0.01 0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 2z0r s ARG 87 CO 0.48 -0.15 0.42 0.00 -0.68 0.00 0.00 175.30 175.37 2z0r s ALA 88 N -3.86 3.82 -0.28 2.13 0.00 -1.26 -5.08 121.76 117.23 2z0r s ALA 88 Ca 0.18 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 2z0r s ALA 88 Cb 0.07 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 2z0r s ALA 88 CO -0.02 0.31 0.17 -0.65 0.00 0.00 0.00 175.76 175.58 2z0r s GLN 89 N -3.62 3.87 -0.07 0.00 -0.21 -1.26 -5.03 119.66 113.33 2z0r s GLN 89 Ca 0.38 -0.37 0.04 0.00 0.02 0.00 0.00 55.36 55.43 2z0r s GLN 89 Cb -0.10 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.28 2z0r s GLN 89 CO 0.30 -0.20 -0.20 0.08 -2.12 0.00 0.00 175.29 173.15 2z0r s VAL 90 N 1.73 2.46 -0.06 1.09 1.01 -1.26 0.00 120.40 125.37 2z0r s VAL 90 Ca 0.07 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2z0r s VAL 90 Cb -0.16 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2z0r s VAL 90 CO 0.10 0.57 -0.09 0.00 0.00 0.00 0.00 175.10 175.68 2z0r s ALA 91 N -0.20 1.05 0.27 5.51 0.00 -0.67 -4.98 121.76 122.73 2z0r s ALA 91 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 2z0r s ALA 91 Cb -0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 23.12 22.32 2z0r s ALA 91 CO 0.03 -0.01 1.50 1.03 0.00 0.00 0.00 175.76 178.31 2z0r s ARG 92 N 0.91 4.21 0.42 0.00 1.81 -1.26 -1.50 118.95 123.55 2z0r s ARG 92 Ca -0.10 2.41 0.11 0.00 -1.72 0.00 0.00 55.73 56.42 2z0r s ARG 92 Cb -0.15 -3.08 0.92 0.00 -0.45 0.00 0.00 34.95 32.19 2z0r s ARG 92 CO 0.01 -0.50 2.00 0.28 -0.68 0.00 0.00 175.30 176.40 2z0r h VAL 93 N 3.48 1.12 -0.60 3.52 2.07 -1.15 -1.57 116.25 123.12 2z0r h VAL 93 Ca -0.46 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 2z0r h VAL 93 Cb 1.22 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2z0r h VAL 93 CO 0.78 0.16 -0.00 0.50 0.02 0.00 0.00 177.57 179.03 2z0r h LYS 94 N 0.21 1.05 0.59 1.57 3.64 -1.90 0.64 116.57 122.38 2z0r h LYS 94 Ca 0.05 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 2z0r h LYS 94 Cb 0.22 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2z0r h LYS 94 CO 0.01 1.03 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.49 2z0r h ASP 95 N 0.96 -0.67 -1.00 4.20 3.32 -1.70 -1.24 116.42 120.28 2z0r h ASP 95 Ca 0.17 -0.02 0.21 0.00 0.02 0.00 0.00 57.03 57.41 2z0r h ASP 95 Cb 0.55 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 40.17 2z0r h ASP 95 CO 0.03 -0.29 0.61 -0.07 -1.72 0.00 0.00 179.24 177.80 2z0r h LEU 96 N -1.13 0.72 0.69 1.55 3.38 -1.32 0.21 115.31 119.41 2z0r h LEU 96 Ca -0.08 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2z0r h LEU 96 Cb 0.65 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2z0r h LEU 96 CO 0.13 0.22 -0.33 0.25 0.09 0.00 0.00 178.44 178.80 2z0r h LEU 97 N 0.68 -0.79 -0.88 1.67 6.46 -0.76 0.46 115.31 122.16 2z0r h LEU 97 Ca 0.59 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.41 2z0r h LEU 97 Cb 1.03 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 41.11 2z0r h LEU 97 CO -0.39 -0.55 0.57 -0.08 -0.62 0.00 0.00 178.44 177.37 2z0r h GLU 98 N -0.95 1.07 0.05 1.25 4.81 -0.01 -1.47 114.58 119.32 2z0r h GLU 98 Ca -0.10 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2z0r h GLU 98 Cb 0.72 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2z0r h GLU 98 CO 0.16 0.71 -0.13 1.49 -0.73 0.00 0.00 179.01 180.50 2z0r h GLU 99 N 1.10 -0.23 -0.45 1.92 4.81 -0.43 -2.49 114.58 118.81 2z0r h GLU 99 Ca 0.35 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2z0r h GLU 99 Cb 0.01 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2z0r h GLU 99 CO -0.12 -0.16 0.27 0.28 -0.73 0.00 0.00 179.01 178.55 2z0r h VAL 100 N -0.24 1.13 0.00 0.32 2.07 -0.49 -3.51 116.25 115.52 2z0r h VAL 100 Ca 0.03 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2z0r h VAL 100 Cb 0.28 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2z0r h VAL 100 CO -0.10 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.17