#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r s ASP 4 N 0.00 6.59 -0.30 2.55 3.68 -1.26 -4.91 116.67 123.02 2z0r s ASP 4 Ca 0.00 0.36 0.08 0.00 2.13 0.00 0.00 52.55 55.12 2z0r s ASP 4 Cb 0.00 -2.49 0.51 0.00 -1.45 0.00 0.00 42.92 39.50 2z0r s ASP 4 CO 0.00 -1.06 1.49 0.18 0.13 0.00 0.00 175.17 175.90 2z0r n LEU 5 N 7.27 4.27 0.06 -1.34 4.77 -1.26 -4.55 117.00 126.22 2z0r n LEU 5 Ca 0.08 -3.80 0.12 0.00 -0.03 0.00 0.00 56.01 52.38 2z0r n LEU 5 Cb 0.48 -0.65 0.13 0.00 -2.33 0.00 0.00 43.42 41.06 2z0r n LEU 5 CO 0.65 1.28 0.26 0.77 -1.33 0.00 0.00 177.39 179.02 2z0r h SER 6 N 1.01 0.00 -0.96 -1.43 4.64 -1.98 -3.47 113.55 111.37 2z0r h SER 6 Ca 0.25 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2z0r h SER 6 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 2z0r h SER 6 CO 0.43 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2z0r n GLY 7 N 1.33 -0.07 3.77 -0.77 0.00 -1.26 -5.02 105.19 103.16 2z0r n GLY 7 Ca 0.03 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 0.35 3.14 -0.21 2.61 2.01 -1.26 -4.99 115.64 117.29 2z0r s THR 8 Ca 0.00 0.96 -0.10 0.00 0.31 0.00 0.00 61.69 62.87 2z0r s THR 8 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2z0r s THR 8 CO 0.00 0.10 0.13 0.26 -0.69 0.00 0.00 174.62 174.41 2z0r s TRP 9 N -1.40 3.37 -0.22 4.92 0.51 -0.92 -4.71 118.94 120.49 2z0r s TRP 9 Ca 0.56 0.27 -0.04 0.00 -2.12 0.00 0.00 56.10 54.78 2z0r s TRP 9 Cb -0.31 -2.17 -0.01 0.00 -0.81 0.00 0.00 33.47 30.17 2z0r s TRP 9 CO 0.39 0.23 -0.04 0.71 -0.51 0.00 0.00 176.95 177.73 2z0r s TYR 10 N 0.50 2.97 0.33 -1.98 2.02 -0.70 0.40 117.35 120.88 2z0r s TYR 10 Ca 0.07 -0.89 0.05 0.00 -0.37 0.00 0.00 57.07 55.94 2z0r s TYR 10 Cb -0.12 -2.11 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2z0r s TYR 10 CO -0.00 -0.53 0.01 0.14 -1.57 0.00 0.00 175.55 173.60 2z0r s VAL 11 N 1.46 1.52 -0.07 0.71 -7.23 -0.43 -1.20 120.40 115.17 2z0r s VAL 11 Ca 0.06 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 2z0r s VAL 11 Cb -0.14 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2z0r s VAL 11 CO -0.03 -0.11 0.35 -0.76 -0.31 0.00 0.00 175.10 174.25 2z0r s LEU 12 N -3.52 4.39 -0.04 1.32 1.02 -1.26 -0.89 118.68 119.70 2z0r s LEU 12 Ca 0.34 0.77 -0.06 0.00 0.02 0.00 0.00 54.13 55.19 2z0r s LEU 12 Cb 0.07 -2.47 0.01 0.00 0.02 0.00 0.00 46.19 43.82 2z0r s LEU 12 CO 0.15 0.25 0.16 -0.70 0.02 0.00 0.00 176.35 176.23 2z0r s GLU 13 N -0.53 0.30 0.00 1.70 2.12 0.15 -4.35 118.70 118.09 2z0r s GLU 13 Ca 0.21 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.55 2z0r s GLU 13 Cb -0.15 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.37 2z0r s GLU 13 CO 0.09 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 2z0r n GLY 14 N 2.44 0.45 3.60 -1.50 0.00 -0.81 0.11 105.19 109.48 2z0r n GLY 14 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 1.91 0.20 1.61 -0.00 -1.26 -4.69 116.67 113.45 2z0r s ASP 15 Ca 0.00 1.30 -0.32 0.00 -0.00 0.00 0.00 52.55 53.53 2z0r s ASP 15 Cb 0.00 -2.02 -0.14 0.00 -0.00 0.00 0.00 42.92 40.76 2z0r s ASP 15 CO 0.00 -3.59 1.38 -2.65 -0.00 0.00 0.00 175.17 170.31 2z0r n PRO 16 N -4.49 1.81 -0.42 8.23 -0.02 -1.26 -1.72 135.00 137.13 2z0r n PRO 16 Ca 0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2z0r n PRO 16 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.33 2.12 3.69 -1.23 0.00 -1.26 -5.00 105.19 105.84 2z0r n GLY 17 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2z0r n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2z0r s GLU 18 N -0.01 4.27 0.38 1.61 2.02 -0.70 -5.02 118.70 121.25 2z0r s GLU 18 Ca 0.00 0.42 0.08 0.00 0.02 0.00 0.00 54.97 55.49 2z0r s GLU 18 Cb 0.00 -3.50 -0.07 0.00 0.10 0.00 0.00 34.13 30.66 2z0r s GLU 18 CO 0.00 0.01 -0.02 -1.01 0.02 0.00 0.00 175.26 174.26 2z0r s HIS 19 N 1.11 2.46 -0.20 1.61 3.76 -1.26 -1.93 115.29 120.83 2z0r s HIS 19 Ca 0.25 -0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 54.44 2z0r s HIS 19 Cb -0.15 -1.63 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 2z0r s HIS 19 CO 0.10 0.48 0.11 -1.17 -0.85 0.00 0.00 174.74 173.40 2z0r s LEU 20 N -3.67 4.06 -0.04 0.89 2.96 -1.26 -4.95 118.68 116.67 2z0r s LEU 20 Ca 0.34 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2z0r s LEU 20 Cb 0.07 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 2z0r s LEU 20 CO 0.17 0.16 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.54 2z0r s VAL 21 N 0.45 1.19 -0.05 1.68 1.01 -1.26 -4.54 120.40 118.89 2z0r s VAL 21 Ca 0.06 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2z0r s VAL 21 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2z0r s VAL 21 CO -0.01 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.59 2z0r s VAL 22 N 0.09 1.39 -0.46 2.92 1.01 0.17 -4.93 120.40 120.59 2z0r s VAL 22 Ca -0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2z0r s VAL 22 Cb -0.10 -1.20 0.07 0.00 0.00 0.00 0.00 36.38 35.14 2z0r s VAL 22 CO 0.01 0.40 0.37 -1.61 0.00 0.00 0.00 175.10 174.27 2z0r s GLU 23 N 0.17 2.92 0.27 2.72 2.02 -1.26 0.41 118.70 125.95 2z0r s GLU 23 Ca -0.07 -1.35 -0.18 0.00 0.02 0.00 0.00 54.97 53.40 2z0r s GLU 23 Cb -0.12 -4.06 0.01 0.00 0.10 0.00 0.00 34.13 30.05 2z0r s GLU 23 CO 0.03 -1.00 0.63 0.00 0.02 0.00 0.00 175.26 174.94 2z0r s ALA 24 N 1.61 -0.83 -1.39 5.21 0.00 -0.88 -4.92 121.76 120.56 2z0r s ALA 24 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2z0r s ALA 24 Cb -0.24 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2z0r s ALA 24 CO 0.06 -0.97 0.00 1.28 0.00 0.00 0.00 175.76 176.13 2z0r n LEU 25 N -0.44 -1.30 -1.83 0.00 4.77 -1.26 -1.42 117.00 115.52 2z0r n LEU 25 Ca -0.03 0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2z0r n LEU 25 Cb 0.60 -2.33 0.02 0.00 -2.33 0.00 0.00 43.42 39.37 2z0r n LEU 25 CO 0.18 -0.36 -0.02 0.61 -1.33 0.00 0.00 177.39 176.47 2z0r n GLY 26 N -0.68 -0.05 3.83 -0.72 0.00 -1.26 -5.00 105.19 101.31 2z0r n GLY 26 Ca -0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 2z0r n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2z0r s GLU 27 N -5.14 1.74 -0.41 1.61 2.02 -0.51 -5.12 118.70 112.90 2z0r s GLU 27 Ca 0.16 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 53.92 2z0r s GLU 27 Cb -0.07 0.53 0.01 0.00 0.10 0.00 0.00 34.13 34.70 2z0r s GLU 27 CO 0.19 -0.81 0.43 1.03 0.02 0.00 0.00 175.26 176.13 2z0r s ARG 28 N -2.86 3.20 0.10 1.61 1.81 -1.26 -2.07 118.95 119.47 2z0r s ARG 28 Ca 0.15 -0.67 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 2z0r s ARG 28 Cb -0.04 -3.93 -0.04 0.00 -0.45 0.00 0.00 34.95 30.49 2z0r s ARG 28 CO 0.07 -0.79 -0.02 -0.51 -0.68 0.00 0.00 175.30 173.37 2z0r s LEU 29 N 2.14 3.38 0.00 2.53 1.43 0.17 -2.81 118.68 125.52 2z0r s LEU 29 Ca 0.12 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2z0r s LEU 29 Cb -0.17 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 2z0r s LEU 29 CO 0.13 0.17 0.12 -0.24 0.23 0.00 0.00 176.35 176.77 2z0r n SER 30 N 0.57 1.31 -4.11 2.29 2.88 -1.08 0.45 113.62 115.94 2z0r n SER 30 Ca -0.11 -2.93 -0.15 0.00 -1.33 0.00 0.00 58.87 54.34 2z0r n SER 30 Cb 0.52 0.88 -0.12 0.00 -0.75 0.00 0.00 64.21 64.75 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 -3.24 0.66 -0.02 0.46 0.00 -1.26 -4.35 107.32 99.57 2z0r s GLY 31 Ca 0.17 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2z0r s GLY 31 CO 0.12 -0.91 -0.07 -0.42 0.00 0.00 0.00 173.10 171.82 2z0r s ILE 32 N -1.35 0.60 0.12 0.90 1.01 -1.26 -4.52 121.20 116.70 2z0r s ILE 32 Ca -0.06 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.43 2z0r s ILE 32 Cb -0.10 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 2z0r s ILE 32 CO 0.01 0.20 -0.26 0.26 0.00 0.00 0.00 174.94 175.15 2z0r s TRP 33 N 0.25 2.19 -2.16 3.97 0.51 -0.34 0.87 118.94 124.22 2z0r s TRP 33 Ca -0.03 -0.39 0.30 0.00 -2.12 0.00 0.00 56.10 53.85 2z0r s TRP 33 Cb -0.08 -1.20 1.41 0.00 -0.81 0.00 0.00 33.47 32.80 2z0r s TRP 33 CO 0.00 0.29 1.95 0.25 -0.51 0.00 0.00 176.95 178.93 2z0r n THR 34 N 1.03 0.00 -3.76 2.01 -2.24 -1.26 -1.73 114.28 108.33 2z0r n THR 34 Ca -0.18 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2z0r n THR 34 Cb 0.53 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 2z0r n THR 34 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2z0r s SER 35 N -2.08 -0.12 0.21 3.42 1.04 -1.26 -4.83 113.70 110.08 2z0r s SER 35 Ca 0.40 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 2z0r s SER 35 Cb 0.21 0.36 0.14 0.00 0.10 0.00 0.00 66.02 66.83 2z0r s SER 35 CO 0.37 -0.62 1.75 -0.09 0.98 0.00 0.00 173.24 175.64 2z0r h ARG 36 N 3.20 1.17 -0.94 4.02 2.43 -1.96 -3.00 114.38 119.30 2z0r h ARG 36 Ca -0.32 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 58.66 2z0r h ARG 36 Cb 1.20 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.52 2z0r h ARG 36 CO 0.46 0.97 0.61 0.93 -1.51 0.00 0.00 179.97 181.43 2z0r h GLU 37 N 1.12 1.12 -0.24 0.20 3.07 -1.99 -0.77 114.58 117.10 2z0r h GLU 37 Ca 0.25 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.89 2z0r h GLU 37 Cb 0.28 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2z0r h GLU 37 CO -0.01 0.74 -0.47 -0.07 -1.40 0.00 0.00 179.01 177.80 2z0r h LEU 38 N 1.15 0.67 -0.49 1.33 3.38 -1.94 -2.09 115.31 117.32 2z0r h LEU 38 Ca 0.38 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 2z0r h LEU 38 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2z0r h LEU 38 CO -0.14 1.03 -0.51 0.00 0.09 0.00 0.00 178.44 178.91 2z0r h ALA 39 N 0.99 0.67 -0.13 1.53 0.00 -1.39 -2.76 119.26 118.18 2z0r h ALA 39 Ca 0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2z0r h ALA 39 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2z0r h ALA 39 CO 0.09 0.68 -0.35 0.93 0.00 0.00 0.00 179.25 180.60 2z0r h GLU 40 N 0.50 0.27 -0.47 0.00 5.08 -1.08 -1.87 114.58 117.01 2z0r h GLU 40 Ca 0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2z0r h GLU 40 Cb 1.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2z0r h GLU 40 CO 0.10 0.59 0.20 0.00 -1.00 0.00 0.00 179.01 178.91 2z0r h ALA 41 N 1.41 0.61 -0.29 3.43 0.00 -1.22 0.11 119.26 123.31 2z0r h ALA 41 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2z0r h ALA 41 Cb 0.74 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2z0r h ALA 41 CO 0.06 0.20 0.17 0.35 0.00 0.00 0.00 179.25 180.03 2z0r h PHE 42 N 0.62 0.33 -0.72 0.00 3.57 -1.16 -1.72 116.94 117.85 2z0r h PHE 42 Ca 0.16 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2z0r h PHE 42 Cb 0.16 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2z0r h PHE 42 CO -0.00 0.19 0.26 -0.07 -2.23 0.00 0.00 178.31 176.47 2z0r h LEU 43 N 0.36 1.01 -1.55 0.59 3.38 -0.99 -2.29 115.31 115.81 2z0r h LEU 43 Ca 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2z0r h LEU 43 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2z0r h LEU 43 CO -0.05 0.92 0.27 0.00 0.09 0.00 0.00 178.44 179.66 2z0r h ALA 44 N 1.22 1.67 -0.00 1.53 0.00 -0.24 -0.49 119.26 122.96 2z0r h ALA 44 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2z0r h ALA 44 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2z0r h ALA 44 CO -0.02 0.30 -0.05 0.72 0.00 0.00 0.00 179.25 180.20 2z0r n HIS 45 N -4.46 0.00 -3.15 0.00 8.25 -0.70 -3.92 115.22 111.25 2z0r n HIS 45 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 2z0r n HIS 45 Cb 0.07 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.24 1.11 0.32 4.41 8.25 -0.21 -4.96 115.22 122.91 2z0r n HIS 46 Ca 0.13 -3.84 0.15 0.00 -0.26 0.00 0.00 57.72 53.90 2z0r n HIS 46 Cb 0.27 -0.43 0.79 0.00 1.12 0.00 0.00 29.99 31.74 2z0r n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2z0r h PRO 47 N 3.18 0.00 0.00 -0.41 0.11 -1.63 -2.27 132.00 130.99 2z0r h PRO 47 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2z0r h PRO 47 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2z0r h PRO 47 CO 0.58 0.00 0.00 1.12 -0.21 0.00 0.00 178.00 179.49 2z0r h HIS 48 N 0.00 0.00 -0.40 0.65 2.07 -1.93 -3.32 115.15 112.22 2z0r h HIS 48 Ca 0.02 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 2z0r h HIS 48 Cb 0.74 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.70 2z0r h HIS 48 CO 0.00 0.00 0.22 -0.07 -3.07 0.00 0.00 177.93 175.01 2z0r h LEU 49 N 0.00 0.48 -2.51 6.12 3.38 -1.76 -3.55 115.31 117.47 2z0r h LEU 49 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2z0r h LEU 49 Cb 0.82 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.47 2z0r h LEU 49 CO 0.00 0.39 -0.09 0.61 0.09 0.00 0.00 178.44 179.44 2z0r n GLY 50 N -1.36 -1.00 3.43 0.83 0.00 -1.25 -5.03 105.19 100.81 2z0r n GLY 50 Ca 0.03 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 2z0r n GLY 50 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2z0r s ARG 52 N -3.15 1.24 -0.12 1.61 1.70 0.31 -4.77 118.95 115.76 2z0r s ARG 52 Ca 0.05 -0.44 -0.13 0.00 -0.47 0.00 0.00 55.73 54.74 2z0r s ARG 52 Cb -0.01 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.90 2z0r s ARG 52 CO 0.59 -0.54 0.29 0.54 -1.08 0.00 0.00 175.30 175.10 2z0r s VAL 53 N -3.65 5.28 0.02 4.99 0.11 -1.26 0.31 120.40 126.19 2z0r s VAL 53 Ca 0.01 0.55 0.08 0.00 -2.93 0.00 0.00 61.98 59.69 2z0r s VAL 53 Cb -0.01 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 2z0r s VAL 53 CO -0.12 0.47 -0.23 -0.94 -3.33 0.00 0.00 175.10 170.95 2z0r s SER 54 N -0.11 2.69 -0.06 3.54 1.04 -0.07 -4.95 113.70 115.79 2z0r s SER 54 Ca 0.18 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 2z0r s SER 54 Cb -0.14 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.67 2z0r s SER 54 CO 0.06 0.23 0.36 0.00 0.98 0.00 0.00 173.24 174.87 2z0r s ALA 55 N -0.69 3.67 -0.76 5.32 0.00 -1.26 -1.31 121.76 126.73 2z0r s ALA 55 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2z0r s ALA 55 Cb -0.09 -2.37 0.19 0.00 0.00 0.00 0.00 23.12 20.85 2z0r s ALA 55 CO 0.01 0.37 0.59 -0.51 0.00 0.00 0.00 175.76 176.22 2z0r s LEU 56 N -0.59 5.21 0.14 0.00 1.43 0.16 -4.92 118.68 120.11 2z0r s LEU 56 Ca 0.22 -3.50 0.10 0.00 -1.03 0.00 0.00 54.13 49.91 2z0r s LEU 56 Cb -0.15 -1.81 -0.14 0.00 0.03 0.00 0.00 46.19 44.11 2z0r s LEU 56 CO 0.10 -0.20 1.26 -0.33 0.23 0.00 0.00 176.35 177.40 2z0r h GLU 57 N 6.13 0.00 -6.25 1.70 5.08 -1.94 -2.44 114.58 116.85 2z0r h GLU 57 Ca 0.10 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.99 2z0r h GLU 57 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2z0r h GLU 57 CO 0.77 0.82 -0.39 -1.54 -1.00 0.00 0.00 179.01 177.67 2z0r s SER 58 N -6.57 5.50 0.18 1.42 1.04 -1.26 -4.84 113.70 109.16 2z0r s SER 58 Ca 0.01 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 55.89 2z0r s SER 58 Cb 0.09 -0.97 0.08 0.00 0.10 0.00 0.00 66.02 65.32 2z0r s SER 58 CO 0.80 -0.45 1.79 -0.09 0.98 0.00 0.00 173.24 176.27 2z0r h ARG 59 N 1.06 0.83 -0.35 4.02 9.65 -1.92 -1.41 114.38 126.26 2z0r h ARG 59 Ca -0.44 -0.10 0.05 0.00 -1.10 0.00 0.00 59.98 58.39 2z0r h ARG 59 Cb 1.26 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 29.63 2z0r h ARG 59 CO 0.55 0.64 0.07 0.00 2.80 0.00 0.00 179.97 184.03 2z0r h ALA 60 N 1.15 0.37 -0.51 2.80 0.00 -1.94 -0.25 119.26 120.88 2z0r h ALA 60 Ca 0.21 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 2z0r h ALA 60 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2z0r h ALA 60 CO -0.03 -0.34 -0.14 -0.07 0.00 0.00 0.00 179.25 178.67 2z0r h LEU 61 N 0.19 0.99 -0.97 0.00 3.38 -1.87 -1.76 115.31 115.26 2z0r h LEU 61 Ca 0.17 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2z0r h LEU 61 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2z0r h LEU 61 CO -0.23 1.11 -0.10 0.11 0.09 0.00 0.00 178.44 179.42 2z0r h LYS 62 N 0.87 0.63 -0.37 1.13 1.57 -0.87 -1.46 116.57 118.08 2z0r h LYS 62 Ca 0.13 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2z0r h LYS 62 Cb 0.69 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2z0r h LYS 62 CO 0.05 0.73 -0.01 0.93 -0.57 0.00 0.00 179.45 180.58 2z0r h GLU 63 N 0.58 0.65 -0.03 3.15 4.39 -0.87 -0.83 114.58 121.62 2z0r h GLU 63 Ca 0.11 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2z0r h GLU 63 Cb 0.52 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2z0r h GLU 63 CO 0.03 0.77 0.01 0.00 -1.16 0.00 0.00 179.01 178.66 2z0r h ALA 64 N 0.86 0.04 -0.51 3.43 0.00 -1.15 -1.26 119.26 120.67 2z0r h ALA 64 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2z0r h ALA 64 Cb 0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2z0r h ALA 64 CO 0.02 -0.40 0.27 -0.92 0.00 0.00 0.00 179.25 178.22 2z0r h TYR 65 N -0.07 0.50 -0.22 0.00 3.20 -1.20 0.81 116.97 119.99 2z0r h TYR 65 Ca 0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2z0r h TYR 65 Cb 0.12 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2z0r h TYR 65 CO -0.03 0.26 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.61 2z0r h LEU 66 N 0.53 0.31 -0.40 2.82 3.38 -1.01 -1.36 115.31 119.59 2z0r h LEU 66 Ca 0.22 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2z0r h LEU 66 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2z0r h LEU 66 CO -0.14 0.43 -0.14 0.03 0.09 0.00 0.00 178.44 178.71 2z0r h ARG 67 N 0.32 0.79 -0.66 1.13 3.08 -0.14 -2.61 114.38 116.29 2z0r h ARG 67 Ca 0.07 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.81 2z0r h ARG 67 Cb 0.33 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2z0r h ARG 67 CO 0.01 0.94 0.44 0.00 -1.07 0.00 0.00 179.97 180.30 2z0r h ALA 68 N 0.83 1.55 0.00 0.04 0.00 -0.21 -0.41 119.26 121.06 2z0r h ALA 68 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2z0r h ALA 68 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2z0r h ALA 68 CO 0.05 0.40 -0.30 -0.07 0.00 0.00 0.00 179.25 179.33 2z0r h LEU 69 N 0.87 0.00 -2.32 0.00 4.07 -1.03 -1.76 115.31 115.14 2z0r h LEU 69 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2z0r h LEU 69 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2z0r h LEU 69 CO -0.06 0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.21 2z0r n GLY 70 N -0.54 1.36 0.00 0.83 0.00 -0.16 -0.51 105.19 106.17 2z0r n GLY 70 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.92 0.00 -2.68 0.99 4.77 -0.66 -4.59 117.00 115.75 2z0r n LEU 72 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2z0r n LEU 72 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2z0r n LEU 72 CO 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 175.92 2z0r n GLN 73 N 0.00 -2.74 -3.08 3.23 6.02 -0.69 -4.94 117.38 115.18 2z0r n GLN 73 Ca 0.00 0.72 -0.40 0.00 -0.01 0.00 0.00 57.00 57.31 2z0r n GLN 73 Cb 0.00 -5.40 -0.05 0.00 1.02 0.00 0.00 30.24 25.81 2z0r n GLN 73 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2z0r s VAL 74 N -2.85 5.03 -0.31 5.09 1.01 0.33 -4.74 120.40 123.96 2z0r s VAL 74 Ca 0.12 1.32 0.16 0.00 0.00 0.00 0.00 61.98 63.58 2z0r s VAL 74 Cb -0.06 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.10 2z0r s VAL 74 CO 0.14 0.17 0.49 1.21 0.00 0.00 0.00 175.10 177.12 2z0r n GLU 75 N 4.47 0.95 -4.09 2.72 2.13 -1.12 -4.60 120.64 121.10 2z0r n GLU 75 Ca -0.01 -0.09 -0.09 0.00 0.66 0.00 0.00 57.16 57.62 2z0r n GLU 75 Cb 0.50 -1.35 -0.10 0.00 0.27 0.00 0.00 31.44 30.76 2z0r n GLU 75 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2z0r s ALA 76 N -2.91 0.58 0.00 4.31 0.00 -1.23 -0.97 121.76 121.54 2z0r s ALA 76 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2z0r s ALA 76 Cb 0.11 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.42 2z0r s ALA 76 CO 0.68 -0.25 0.00 1.55 0.00 0.00 0.00 175.76 177.75 2z0r n VAL 77 N 0.53 0.00 -3.65 0.00 3.14 0.94 -2.63 118.33 116.65 2z0r n VAL 77 Ca -0.17 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.16 2z0r n VAL 77 Cb 0.59 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.30 2z0r n VAL 77 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2z0r s VAL 79 N 0.71 -0.45 -1.39 1.55 1.01 0.37 -0.34 120.40 121.86 2z0r s VAL 79 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2z0r s VAL 79 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2z0r s VAL 79 CO 0.00 0.02 0.43 0.47 0.00 0.00 0.00 175.10 176.01 2z0r n ASP 80 N 4.86 -0.72 -4.77 3.32 8.00 0.25 -4.41 116.55 123.09 2z0r n ASP 80 Ca -0.16 -1.03 -0.41 0.00 0.71 0.00 0.00 54.79 53.90 2z0r n ASP 80 Cb 0.54 -2.96 -0.01 0.00 -0.02 0.00 0.00 41.12 38.66 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 -3.94 2.81 -0.28 1.24 5.04 -1.26 -4.97 117.35 115.99 2z0r s TYR 81 Ca 0.05 1.20 -0.34 0.00 -2.44 0.00 0.00 57.07 55.55 2z0r s TYR 81 Cb -0.02 -3.89 0.17 0.00 0.35 0.00 0.00 41.96 38.58 2z0r s TYR 81 CO 0.89 -2.62 1.35 -0.98 -1.34 0.00 0.00 175.55 172.86 2z0r s ARG 82 N -1.66 0.07 0.21 4.97 1.70 -1.26 -4.96 118.95 118.03 2z0r s ARG 82 Ca 0.53 -0.01 -0.09 0.00 -0.47 0.00 0.00 55.73 55.69 2z0r s ARG 82 Cb -0.44 0.03 0.24 0.00 -0.57 0.00 0.00 34.95 34.21 2z0r s ARG 82 CO 0.56 -0.03 1.83 -1.35 -1.08 0.00 0.00 175.30 175.23 2z0r h PRO 83 N 2.03 0.77 -0.50 3.89 0.11 -2.04 -3.18 132.00 133.08 2z0r h PRO 83 Ca -0.06 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.11 2z0r h PRO 83 Cb 1.16 -0.17 -0.09 0.00 0.11 0.00 0.00 31.00 32.00 2z0r h PRO 83 CO 0.21 0.51 -0.08 0.78 -0.21 0.00 0.00 178.00 179.21 2z0r h GLY 84 N 0.79 0.43 -2.57 -0.55 0.00 -1.99 -3.43 103.07 95.75 2z0r h GLY 84 Ca 0.31 0.13 -0.55 0.00 0.00 0.00 0.00 47.33 47.21 2z0r h GLY 84 CO -0.15 -0.18 -0.82 2.41 0.00 0.00 0.00 176.54 177.80 2z0r n THR 85 N -5.32 0.66 -0.94 4.70 -1.04 -1.20 -4.92 114.28 106.21 2z0r n THR 85 Ca 0.05 -0.36 0.09 0.00 -2.04 0.00 0.00 64.05 61.79 2z0r n THR 85 Cb 0.27 -0.49 0.18 0.00 -1.82 0.00 0.00 70.33 68.48 2z0r n THR 85 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2z0r n HIS 86 N -2.75 0.38 -3.51 -1.42 -0.00 -1.26 -4.95 115.22 101.71 2z0r n HIS 86 Ca 0.06 -0.90 0.01 0.00 -0.00 0.00 0.00 57.72 56.89 2z0r n HIS 86 Cb 0.52 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.99 30.26 2z0r n HIS 86 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2z0r s ARG 87 N -2.68 0.22 0.16 -0.41 1.81 -1.26 -5.15 118.95 111.64 2z0r s ARG 87 Ca 0.34 0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 54.49 2z0r s ARG 87 Cb 0.28 0.15 -0.08 0.00 -0.45 0.00 0.00 34.95 34.85 2z0r s ARG 87 CO 0.06 -0.06 1.24 0.00 -0.68 0.00 0.00 175.30 175.86 2z0r s ALA 88 N 1.67 3.47 -0.43 2.13 0.00 -1.26 -4.99 121.76 122.34 2z0r s ALA 88 Ca -0.06 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 2z0r s ALA 88 Cb -0.03 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2z0r s ALA 88 CO -0.14 -0.44 0.43 -0.65 0.00 0.00 0.00 175.76 174.95 2z0r s GLN 89 N 0.16 3.07 -0.09 0.00 -0.21 -1.26 -5.04 119.66 116.28 2z0r s GLN 89 Ca 0.56 -0.85 -0.00 0.00 0.02 0.00 0.00 55.36 55.09 2z0r s GLN 89 Cb -0.33 -3.99 -0.03 0.00 1.00 0.00 0.00 33.01 29.66 2z0r s GLN 89 CO 0.35 -0.88 -0.07 0.08 -2.12 0.00 0.00 175.29 172.64 2z0r s VAL 90 N 2.08 3.66 -0.07 1.09 1.01 -1.26 -0.48 120.40 126.42 2z0r s VAL 90 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2z0r s VAL 90 Cb -0.18 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2z0r s VAL 90 CO 0.12 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.63 2z0r s ALA 91 N -0.42 1.54 0.15 5.51 0.00 0.54 -4.96 121.76 124.13 2z0r s ALA 91 Ca 0.06 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 2z0r s ALA 91 Cb -0.12 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.31 2z0r s ALA 91 CO 0.02 0.19 1.09 1.03 0.00 0.00 0.00 175.76 178.09 2z0r s ARG 92 N 0.47 4.59 0.50 0.00 1.81 -1.26 -0.04 118.95 125.01 2z0r s ARG 92 Ca -0.14 1.68 0.22 0.00 -1.72 0.00 0.00 55.73 55.76 2z0r s ARG 92 Cb -0.16 -3.30 1.28 0.00 -0.45 0.00 0.00 34.95 32.32 2z0r s ARG 92 CO 0.05 0.06 1.99 0.28 -0.68 0.00 0.00 175.30 176.99 2z0r h VAL 93 N 3.88 0.78 -0.45 3.52 2.07 -1.37 0.43 116.25 125.11 2z0r h VAL 93 Ca -0.44 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 2z0r h VAL 93 Cb 1.21 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2z0r h VAL 93 CO 0.73 0.02 -0.21 0.50 0.02 0.00 0.00 177.57 178.64 2z0r h LYS 94 N 0.13 0.91 0.00 1.57 3.64 -1.91 0.14 116.57 121.04 2z0r h LYS 94 Ca 0.26 -0.37 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2z0r h LYS 94 Cb 0.87 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2z0r h LYS 94 CO -0.03 1.03 -0.63 -0.44 -2.27 0.00 0.00 179.45 177.11 2z0r h ASP 95 N 0.79 0.00 0.23 4.20 3.32 -1.36 -3.00 116.42 120.60 2z0r h ASP 95 Ca 0.11 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 2z0r h ASP 95 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2z0r h ASP 95 CO 0.06 0.63 -0.90 -0.07 -1.72 0.00 0.00 179.24 177.24 2z0r h LEU 96 N 0.00 0.61 -2.81 1.55 3.38 -0.91 -1.49 115.31 115.64 2z0r h LEU 96 Ca -0.01 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2z0r h LEU 96 Cb 1.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2z0r h LEU 96 CO 0.08 1.25 0.03 -0.07 0.09 0.00 0.00 178.44 179.83 2z0r h LEU 97 N 0.29 0.00 0.06 1.67 3.38 -0.60 0.23 115.31 120.35 2z0r h LEU 97 Ca -0.07 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.52 2z0r h LEU 97 Cb 1.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 2z0r h LEU 97 CO 0.16 0.00 -2.20 -0.62 0.09 0.00 0.00 178.44 175.87 2z0r n GLU 98 N -3.21 0.70 -0.27 1.13 -0.58 -1.13 -3.80 120.64 113.49 2z0r n GLU 98 Ca -0.03 0.22 0.02 0.00 -0.42 0.00 0.00 57.16 56.96 2z0r n GLU 98 Cb 0.10 -1.62 0.16 0.00 -0.57 0.00 0.00 31.44 29.51 2z0r n GLU 98 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2z0r h GLU 99 N -0.02 0.67 0.00 3.49 4.57 -0.36 0.79 114.58 123.71 2z0r h GLU 99 Ca -0.50 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2z0r h GLU 99 Cb 1.94 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.38 2z0r h GLU 99 CO -0.01 0.44 0.00 1.55 -1.18 0.00 0.00 179.01 179.81 2z0r n VAL 100 N -4.81 0.89 1.36 0.32 3.14 0.71 -1.79 118.33 118.16 2z0r n VAL 100 Ca 0.12 0.22 0.15 0.00 -2.96 0.00 0.00 64.34 61.87 2z0r n VAL 100 Cb 0.28 -1.05 0.71 0.00 -1.06 0.00 0.00 33.84 32.73 2z0r n VAL 100 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2z0r n ARG 101 N -1.84 0.40 -0.00 1.45 5.12 0.27 -2.18 116.66 119.88 2z0r n ARG 101 Ca 0.03 -0.03 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 2z0r n ARG 101 Cb 0.21 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.90 2z0r n ARG 101 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2z0r n ARG 102 N -1.27 0.11 0.00 5.56 1.74 -0.74 -5.11 116.66 116.95 2z0r n ARG 102 Ca 0.13 -0.03 0.15 0.00 -0.77 0.00 0.00 57.85 57.33 2z0r n ARG 102 Cb 0.26 -1.51 0.76 0.00 -1.02 0.00 0.00 32.46 30.95 2z0r n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11