#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r n LEU 5 N 0.00 0.00 0.13 -2.12 7.99 -1.26 -3.60 117.00 118.15 2z0r n LEU 5 Ca 0.00 0.01 0.06 0.00 -0.01 0.00 0.00 56.01 56.07 2z0r n LEU 5 Cb 0.00 -0.01 0.04 0.00 -0.11 0.00 0.00 43.42 43.34 2z0r n LEU 5 CO 0.00 -0.00 0.34 -1.28 -1.51 0.00 0.00 177.39 174.94 2z0r h SER 6 N 0.00 0.00 -0.99 -1.43 0.87 -2.01 -3.47 113.55 106.52 2z0r h SER 6 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2z0r h SER 6 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2z0r h SER 6 CO 0.00 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.21 2z0r n GLY 7 N 1.22 0.33 3.73 5.77 0.00 -1.24 -5.02 105.19 109.97 2z0r n GLY 7 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 0.74 2.87 -0.08 2.61 2.01 -1.26 -4.97 115.64 117.56 2z0r s THR 8 Ca 0.00 0.67 -0.13 0.00 0.31 0.00 0.00 61.69 62.54 2z0r s THR 8 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2z0r s THR 8 CO 0.00 0.08 0.33 0.26 -0.69 0.00 0.00 174.62 174.60 2z0r s TRP 9 N 0.60 3.61 -0.18 4.92 0.51 -1.04 -4.65 118.94 122.72 2z0r s TRP 9 Ca 0.63 0.79 -0.01 0.00 -2.12 0.00 0.00 56.10 55.39 2z0r s TRP 9 Cb -0.40 -2.26 -0.00 0.00 -0.81 0.00 0.00 33.47 29.99 2z0r s TRP 9 CO 0.36 0.51 -0.11 0.71 -0.51 0.00 0.00 176.95 177.90 2z0r s TYR 10 N -0.49 2.86 0.38 -1.98 2.02 0.25 -0.17 117.35 120.22 2z0r s TYR 10 Ca 0.20 -0.99 0.04 0.00 -0.37 0.00 0.00 57.07 55.95 2z0r s TYR 10 Cb -0.15 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2z0r s TYR 10 CO 0.09 -0.48 0.10 0.14 -1.57 0.00 0.00 175.55 173.82 2z0r s VAL 11 N 1.02 0.79 -0.02 0.71 -7.23 -0.70 -0.30 120.40 114.67 2z0r s VAL 11 Ca -0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2z0r s VAL 11 Cb -0.15 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2z0r s VAL 11 CO -0.02 0.00 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.95 2z0r s LEU 12 N -3.57 3.22 -0.19 1.32 1.02 -1.26 -0.68 118.68 118.54 2z0r s LEU 12 Ca 0.27 -0.08 -0.25 0.00 0.02 0.00 0.00 54.13 54.09 2z0r s LEU 12 Cb 0.05 -1.80 0.07 0.00 0.02 0.00 0.00 46.19 44.53 2z0r s LEU 12 CO 0.14 0.31 0.67 -1.83 0.02 0.00 0.00 176.35 175.66 2z0r s GLU 13 N -1.21 0.86 0.00 1.70 -1.05 -0.41 -3.36 118.70 115.23 2z0r s GLU 13 Ca 0.16 0.73 0.00 0.00 -0.15 0.00 0.00 54.97 55.70 2z0r s GLU 13 Cb -0.11 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2z0r s GLU 13 CO 0.06 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.52 2z0r n GLY 14 N 2.19 1.26 3.71 -3.83 0.00 0.15 -2.20 105.19 106.46 2z0r n GLY 14 Ca -0.15 0.00 -0.29 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 2.42 -0.21 1.61 1.01 -1.26 -4.82 116.67 114.42 2z0r s ASP 15 Ca 0.00 0.88 -0.38 0.00 0.71 0.00 0.00 52.55 53.76 2z0r s ASP 15 Cb 0.00 -1.36 -0.14 0.00 1.01 0.00 0.00 42.92 42.43 2z0r s ASP 15 CO 0.00 -3.22 1.81 -2.65 0.21 0.00 0.00 175.17 171.32 2z0r n PRO 16 N -4.19 1.54 0.00 8.23 -0.02 -1.26 -1.14 135.00 138.16 2z0r n PRO 16 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2z0r n PRO 16 Cb 0.59 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.34 2.64 3.56 -1.23 0.00 -1.26 -4.96 105.19 108.29 2z0r n GLY 17 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 3.49 0.24 1.61 2.12 -0.29 -4.97 118.70 120.68 2z0r s GLU 18 Ca 0.00 -1.17 -0.10 0.00 0.36 0.00 0.00 54.97 54.06 2z0r s GLU 18 Cb 0.00 -5.35 -0.07 0.00 0.26 0.00 0.00 34.13 28.97 2z0r s GLU 18 CO 0.00 -2.43 0.57 -1.01 -0.54 0.00 0.00 175.26 171.85 2z0r s HIS 19 N 5.71 3.42 0.07 5.30 3.76 -1.26 0.33 115.29 132.62 2z0r s HIS 19 Ca 0.51 0.91 -0.31 0.00 -0.15 0.00 0.00 55.06 56.02 2z0r s HIS 19 Cb -0.00 -2.29 -0.08 0.00 1.11 0.00 0.00 32.58 31.32 2z0r s HIS 19 CO -0.05 0.25 1.55 -1.17 -0.85 0.00 0.00 174.74 174.47 2z0r s LEU 20 N -2.85 4.35 -0.15 0.89 2.96 -1.21 -4.95 118.68 117.72 2z0r s LEU 20 Ca 0.48 2.40 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 2z0r s LEU 20 Cb -0.11 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.03 2z0r s LEU 20 CO 0.21 -0.81 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.59 2z0r s VAL 21 N 2.21 1.61 -0.04 1.68 1.01 -1.26 -4.41 120.40 121.20 2z0r s VAL 21 Ca 0.70 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2z0r s VAL 21 Cb -0.38 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2z0r s VAL 21 CO 0.31 0.46 -0.20 -0.69 0.00 0.00 0.00 175.10 174.98 2z0r s VAL 22 N 1.40 2.58 -0.40 2.92 1.01 0.19 -4.94 120.40 123.16 2z0r s VAL 22 Ca 0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2z0r s VAL 22 Cb -0.13 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2z0r s VAL 22 CO -0.10 0.58 0.25 -1.61 0.00 0.00 0.00 175.10 174.23 2z0r s GLU 23 N -0.56 2.76 0.15 2.72 2.02 -1.26 0.35 118.70 124.88 2z0r s GLU 23 Ca 0.08 -1.26 -0.19 0.00 0.02 0.00 0.00 54.97 53.62 2z0r s GLU 23 Cb -0.11 -3.81 0.05 0.00 0.10 0.00 0.00 34.13 30.36 2z0r s GLU 23 CO 0.01 -0.84 0.50 0.00 0.02 0.00 0.00 175.26 174.95 2z0r s ALA 24 N 1.52 -1.18 -1.33 5.21 0.00 -0.86 -4.93 121.76 120.18 2z0r s ALA 24 Ca 0.03 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2z0r s ALA 24 Cb -0.21 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2z0r s ALA 24 CO 0.05 -0.73 0.30 1.28 0.00 0.00 0.00 175.76 176.66 2z0r n LEU 25 N -0.31 -1.75 0.00 0.00 4.77 -1.26 -2.01 117.00 116.44 2z0r n LEU 25 Ca -0.15 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2z0r n LEU 25 Cb 0.64 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 2z0r n LEU 25 CO 0.15 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2z0r n GLY 26 N -1.12 0.74 3.76 -0.72 0.00 -1.26 -5.00 105.19 101.58 2z0r n GLY 26 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2z0r n GLY 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2z0r s GLU 27 N -0.08 2.08 -0.35 1.61 -1.05 -0.85 -5.11 118.70 114.95 2z0r s GLU 27 Ca 0.00 -1.40 -0.26 0.00 -0.15 0.00 0.00 54.97 53.16 2z0r s GLU 27 Cb 0.00 0.59 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 2z0r s GLU 27 CO 0.00 -0.95 0.92 1.03 0.95 0.00 0.00 175.26 177.20 2z0r s ARG 28 N -2.78 3.90 0.15 -4.83 0.52 -1.26 -2.02 118.95 112.63 2z0r s ARG 28 Ca 0.17 0.65 0.11 0.00 -0.52 0.00 0.00 55.73 56.14 2z0r s ARG 28 Cb -0.04 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 2z0r s ARG 28 CO 0.12 -0.88 -0.25 -0.51 0.02 0.00 0.00 175.30 173.80 2z0r s LEU 29 N 3.38 2.40 0.00 2.53 1.43 0.15 -3.86 118.68 124.72 2z0r s LEU 29 Ca 0.38 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2z0r s LEU 29 Cb -0.12 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 2z0r s LEU 29 CO 0.17 0.16 0.00 -0.24 0.23 0.00 0.00 176.35 176.67 2z0r n SER 30 N 0.71 2.09 -3.98 2.29 2.88 -1.13 0.57 113.62 117.04 2z0r n SER 30 Ca -0.16 -1.40 -0.14 0.00 -1.33 0.00 0.00 58.87 55.83 2z0r n SER 30 Cb 0.54 0.08 -0.13 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.50 0.31 -0.05 0.46 0.00 -1.26 -4.44 107.32 100.84 2z0r s GLY 31 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.37 2z0r s GLY 31 CO 0.00 -0.39 -0.14 -0.42 0.00 0.00 0.00 173.10 172.16 2z0r s ILE 32 N -0.57 1.19 -0.05 0.90 1.01 -1.26 -4.50 121.20 117.91 2z0r s ILE 32 Ca -0.03 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2z0r s ILE 32 Cb -0.05 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2z0r s ILE 32 CO -0.00 0.36 -0.25 0.26 0.00 0.00 0.00 174.94 175.31 2z0r s TRP 33 N 0.29 2.40 -2.11 3.97 0.51 0.60 -1.10 118.94 123.49 2z0r s TRP 33 Ca -0.07 -0.67 0.19 0.00 -2.12 0.00 0.00 56.10 53.43 2z0r s TRP 33 Cb -0.12 -1.57 0.95 0.00 -0.81 0.00 0.00 33.47 31.92 2z0r s TRP 33 CO 0.02 -0.19 1.64 2.41 -0.51 0.00 0.00 176.95 180.32 2z0r n THR 34 N 2.87 0.09 -3.70 2.01 -1.04 -1.26 -0.58 114.28 112.66 2z0r n THR 34 Ca -0.17 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.05 61.57 2z0r n THR 34 Cb 0.52 -0.01 -0.09 0.00 -1.82 0.00 0.00 70.33 68.92 2z0r n THR 34 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2z0r s SER 35 N -1.57 -0.55 0.42 8.00 1.04 -1.26 -4.87 113.70 114.91 2z0r s SER 35 Ca 0.29 1.01 0.13 0.00 0.48 0.00 0.00 55.95 57.85 2z0r s SER 35 Cb 0.15 0.97 0.98 0.00 0.10 0.00 0.00 66.02 68.22 2z0r s SER 35 CO 0.23 -0.18 1.97 -0.09 0.98 0.00 0.00 173.24 176.15 2z0r h ARG 36 N 5.99 0.45 -0.55 4.02 9.65 -1.93 -1.15 114.38 130.86 2z0r h ARG 36 Ca -0.30 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.48 2z0r h ARG 36 Cb 1.18 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 2z0r h ARG 36 CO 0.22 0.30 0.06 0.93 2.80 0.00 0.00 179.97 184.28 2z0r h GLU 37 N 0.46 0.93 -0.44 0.20 5.08 -1.99 -1.53 114.58 117.29 2z0r h GLU 37 Ca 0.29 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2z0r h GLU 37 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2z0r h GLU 37 CO -0.08 0.91 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.60 2z0r h LEU 38 N 0.82 0.92 -1.00 1.33 3.38 -1.65 -1.07 115.31 118.03 2z0r h LEU 38 Ca 0.16 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2z0r h LEU 38 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2z0r h LEU 38 CO 0.02 1.09 0.23 0.00 0.09 0.00 0.00 178.44 179.87 2z0r h ALA 39 N 0.85 1.21 -0.40 1.53 0.00 -1.31 -1.45 119.26 119.68 2z0r h ALA 39 Ca 0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2z0r h ALA 39 Cb 0.72 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2z0r h ALA 39 CO 0.06 0.57 -0.30 0.93 0.00 0.00 0.00 179.25 180.51 2z0r h GLU 40 N 0.93 0.92 -0.45 0.00 5.08 -1.09 -0.08 114.58 119.89 2z0r h GLU 40 Ca 0.21 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2z0r h GLU 40 Cb 0.22 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2z0r h GLU 40 CO -0.01 1.10 0.20 0.00 -1.00 0.00 0.00 179.01 179.29 2z0r h ALA 41 N 0.80 0.58 -0.05 3.43 0.00 -0.89 0.34 119.26 123.46 2z0r h ALA 41 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2z0r h ALA 41 Cb 0.88 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2z0r h ALA 41 CO 0.08 0.16 0.04 0.35 0.00 0.00 0.00 179.25 179.88 2z0r h PHE 42 N 0.58 0.07 -0.97 0.00 3.57 -1.15 -1.72 116.94 117.32 2z0r h PHE 42 Ca 0.15 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2z0r h PHE 42 Cb 0.16 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 2z0r h PHE 42 CO -0.00 0.05 0.63 1.25 -2.23 0.00 0.00 178.31 178.01 2z0r h LEU 43 N 0.07 1.03 -1.58 0.59 6.46 -0.65 -0.93 115.31 120.30 2z0r h LEU 43 Ca 0.02 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2z0r h LEU 43 Cb -0.00 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 2z0r h LEU 43 CO -0.00 0.69 0.29 0.00 -0.62 0.00 0.00 178.44 178.79 2z0r h ALA 44 N 1.42 1.71 -0.01 1.25 0.00 0.35 -1.70 119.26 122.27 2z0r h ALA 44 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2z0r h ALA 44 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2z0r h ALA 44 CO -0.15 0.27 -0.07 0.72 0.00 0.00 0.00 179.25 180.02 2z0r n HIS 45 N -4.47 0.00 -3.20 0.00 8.25 -0.42 -4.38 115.22 111.00 2z0r n HIS 45 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 2z0r n HIS 45 Cb 0.07 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.35 1.50 -1.16 4.41 8.25 -0.64 -5.08 115.22 122.14 2z0r n HIS 46 Ca 0.18 -3.84 -0.29 0.00 -0.26 0.00 0.00 57.72 53.51 2z0r n HIS 46 Cb 0.30 -0.44 0.18 0.00 1.12 0.00 0.00 29.99 31.15 2z0r n HIS 46 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2z0r s PRO 47 N -2.19 0.36 -1.93 -0.41 0.02 -1.25 -4.29 135.00 125.31 2z0r s PRO 47 Ca 0.40 0.50 0.00 0.00 0.02 0.00 0.00 61.00 61.91 2z0r s PRO 47 Cb 0.23 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 33.02 2z0r s PRO 47 CO -0.08 -2.77 0.00 0.72 -0.33 0.00 0.00 177.00 174.53 2z0r n HIS 48 N -4.20 -0.57 0.37 6.54 8.25 -1.26 -4.84 115.22 119.51 2z0r n HIS 48 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 2z0r n HIS 48 Cb 0.57 -3.67 0.05 0.00 1.12 0.00 0.00 29.99 28.06 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 -2.70 1.97 -2.22 2.41 4.77 -1.26 -5.27 117.00 114.71 2z0r n LEU 49 Ca -0.22 -1.10 -0.02 0.00 -0.03 0.00 0.00 56.01 54.64 2z0r n LEU 49 Cb 0.68 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2z0r n LEU 49 CO 0.29 0.40 0.11 0.61 -1.33 0.00 0.00 177.39 177.47 2z0r n GLY 50 N 0.57 -0.86 0.00 -0.72 0.00 -1.26 -4.92 105.19 98.01 2z0r n GLY 50 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2z0r n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2z0r n ARG 52 N -0.98 0.00 -3.71 1.61 5.12 -0.94 -3.97 116.66 113.80 2z0r n ARG 52 Ca 0.02 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.61 2z0r n ARG 52 Cb 0.39 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.64 2z0r n ARG 52 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2z0r s VAL 53 N -2.00 5.22 0.03 1.55 0.11 -1.26 -1.28 120.40 122.77 2z0r s VAL 53 Ca 0.00 0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2z0r s VAL 53 Cb 0.00 -3.60 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2z0r s VAL 53 CO 0.00 0.25 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.44 2z0r s SER 54 N -1.96 1.56 -0.15 3.54 0.01 0.15 -4.94 113.70 111.91 2z0r s SER 54 Ca 0.33 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 2z0r s SER 54 Cb -0.13 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2z0r s SER 54 CO 0.20 0.04 0.07 0.00 0.41 0.00 0.00 173.24 173.96 2z0r s ALA 55 N -0.78 3.53 -0.69 1.44 0.00 -1.26 -1.71 121.76 122.28 2z0r s ALA 55 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2z0r s ALA 55 Cb -0.07 -1.86 0.17 0.00 0.00 0.00 0.00 23.12 21.35 2z0r s ALA 55 CO 0.01 0.38 0.49 -0.51 0.00 0.00 0.00 175.76 176.12 2z0r s LEU 56 N -0.25 4.94 -0.11 0.00 1.43 0.76 -4.94 118.68 120.52 2z0r s LEU 56 Ca 0.09 -3.42 -0.20 0.00 -1.03 0.00 0.00 54.13 49.56 2z0r s LEU 56 Cb -0.12 -1.74 -0.18 0.00 0.03 0.00 0.00 46.19 44.18 2z0r s LEU 56 CO 0.01 -0.20 0.60 -0.33 0.23 0.00 0.00 176.35 176.67 2z0r h GLU 57 N 6.13 -0.03 -6.94 1.70 3.07 -1.94 -2.76 114.58 113.81 2z0r h GLU 57 Ca 0.06 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.43 2z0r h GLU 57 Cb 0.84 0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.78 2z0r h GLU 57 CO 0.74 0.61 0.44 -1.54 -1.40 0.00 0.00 179.01 177.86 2z0r s SER 58 N -5.92 6.74 0.00 1.42 1.04 -1.26 -4.77 113.70 110.95 2z0r s SER 58 Ca -0.13 2.14 0.10 0.00 0.48 0.00 0.00 55.95 58.54 2z0r s SER 58 Cb -0.02 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 63.95 2z0r s SER 58 CO 0.48 -0.51 1.31 -2.11 0.98 0.00 0.00 173.24 173.38 2z0r n ARG 59 N 0.09 0.02 0.10 4.02 1.85 -1.26 -0.91 116.66 120.57 2z0r n ARG 59 Ca 0.04 0.31 -0.16 0.00 -1.00 0.00 0.00 57.85 57.04 2z0r n ARG 59 Cb 0.48 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.26 2z0r n ARG 59 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2z0r h ALA 60 N 2.37 0.11 0.00 2.89 0.00 -1.96 -1.95 119.26 120.71 2z0r h ALA 60 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 2z0r h ALA 60 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2z0r h ALA 60 CO 0.00 0.93 -0.55 -0.07 0.00 0.00 0.00 179.25 179.56 2z0r h LEU 61 N 0.10 0.00 -0.15 0.00 3.38 -1.39 -2.59 115.31 114.65 2z0r h LEU 61 Ca -0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 2z0r h LEU 61 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2z0r h LEU 61 CO 0.20 0.55 -0.45 0.11 0.09 0.00 0.00 178.44 178.95 2z0r h LYS 62 N 0.00 0.57 -0.59 1.13 1.57 -1.38 -2.60 116.57 115.27 2z0r h LYS 62 Ca -0.01 -0.41 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 2z0r h LYS 62 Cb 1.09 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2z0r h LYS 62 CO 0.07 1.03 -0.00 0.93 -0.57 0.00 0.00 179.45 180.91 2z0r h GLU 63 N 0.21 1.03 -0.39 3.15 5.08 -1.31 -0.07 114.58 122.27 2z0r h GLU 63 Ca -0.01 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2z0r h GLU 63 Cb 1.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2z0r h GLU 63 CO 0.10 1.00 0.05 0.00 -1.00 0.00 0.00 179.01 179.16 2z0r h ALA 64 N 1.05 1.35 -0.25 3.43 0.00 -1.50 0.11 119.26 123.44 2z0r h ALA 64 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2z0r h ALA 64 Cb 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2z0r h ALA 64 CO 0.03 0.46 -0.25 -0.92 0.00 0.00 0.00 179.25 178.57 2z0r h TYR 65 N 0.58 0.74 0.00 0.00 3.20 -1.03 0.36 116.97 120.82 2z0r h TYR 65 Ca 0.13 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 2z0r h TYR 65 Cb 0.30 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2z0r h TYR 65 CO 0.01 0.93 -0.28 -0.07 -1.64 0.00 0.00 178.16 177.12 2z0r h LEU 66 N 0.33 0.00 0.12 2.82 3.38 -0.55 -0.29 115.31 121.12 2z0r h LEU 66 Ca 0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2z0r h LEU 66 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2z0r h LEU 66 CO 0.06 0.28 -1.24 0.03 0.09 0.00 0.00 178.44 177.66 2z0r h ARG 67 N 0.00 0.31 -0.77 1.13 2.47 -0.62 -2.90 114.38 113.99 2z0r h ARG 67 Ca -0.00 -0.50 -0.02 0.00 -1.26 0.00 0.00 59.98 58.20 2z0r h ARG 67 Cb 0.59 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 2z0r h ARG 67 CO 0.04 1.23 0.41 0.00 0.56 0.00 0.00 179.97 182.21 2z0r h ALA 68 N 0.56 0.99 -0.64 0.04 0.00 -0.38 -1.56 119.26 118.27 2z0r h ALA 68 Ca -0.14 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2z0r h ALA 68 Cb 1.96 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 2z0r h ALA 68 CO 0.21 0.52 0.37 -0.07 0.00 0.00 0.00 179.25 180.28 2z0r h LEU 69 N 1.08 0.58 -1.78 0.00 3.38 -1.05 -1.37 115.31 116.14 2z0r h LEU 69 Ca 0.27 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2z0r h LEU 69 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2z0r h LEU 69 CO -0.04 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2z0r n GLY 70 N -1.28 0.00 0.00 0.83 0.00 -0.59 -0.70 105.19 103.46 2z0r n GLY 70 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.74 0.00 -3.50 0.99 4.77 -0.52 -4.34 117.00 115.14 2z0r n LEU 72 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 2z0r n LEU 72 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2z0r n LEU 72 CO 0.00 0.00 0.10 1.67 -1.33 0.00 0.00 177.39 177.83 2z0r n GLN 73 N 0.00 -6.49 -3.91 3.23 0.00 0.00 -5.01 117.38 105.21 2z0r n GLN 73 Ca 0.00 0.81 -0.35 0.00 -0.00 0.00 0.00 57.00 57.46 2z0r n GLN 73 Cb 0.00 -5.76 -0.14 0.00 0.00 0.00 0.00 30.24 24.34 2z0r n GLN 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2z0r s VAL 74 N -3.40 3.24 -2.33 1.69 1.01 0.13 -4.73 120.40 116.01 2z0r s VAL 74 Ca 0.07 -0.73 0.19 0.00 0.00 0.00 0.00 61.98 61.51 2z0r s VAL 74 Cb -0.03 -2.57 0.14 0.00 0.00 0.00 0.00 36.38 33.92 2z0r s VAL 74 CO 0.74 0.29 1.09 -0.62 0.00 0.00 0.00 175.10 176.61 2z0r n GLU 75 N 4.76 1.62 -3.93 2.72 1.02 -1.25 -4.14 120.64 121.43 2z0r n GLU 75 Ca -0.17 -1.59 -0.09 0.00 -0.02 0.00 0.00 57.16 55.29 2z0r n GLU 75 Cb 0.49 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.60 0.01 0.00 0.62 0.00 -1.26 -0.93 121.76 118.60 2z0r s ALA 76 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2z0r s ALA 76 Cb 0.16 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2z0r s ALA 76 CO 0.25 -0.51 0.00 1.55 0.00 0.00 0.00 175.76 177.05 2z0r n VAL 77 N -0.06 0.00 -3.61 0.00 3.14 0.18 -2.85 118.33 115.13 2z0r n VAL 77 Ca -0.13 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.22 2z0r n VAL 77 Cb 0.62 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.35 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 1.01 -0.52 -1.36 1.55 1.01 0.15 -0.87 120.40 121.37 2z0r s VAL 79 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2z0r s VAL 79 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2z0r s VAL 79 CO 0.00 0.00 0.75 0.47 0.00 0.00 0.00 175.10 176.32 2z0r n ASP 80 N 4.86 -1.88 -4.76 3.32 8.00 -0.25 -4.40 116.55 121.44 2z0r n ASP 80 Ca -0.15 -0.82 -0.39 0.00 0.71 0.00 0.00 54.79 54.14 2z0r n ASP 80 Cb 0.53 -3.99 -0.04 0.00 -0.02 0.00 0.00 41.12 37.61 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 -3.61 3.49 0.06 1.24 5.04 -1.26 -4.88 117.35 117.43 2z0r s TYR 81 Ca 0.14 1.68 -0.28 0.00 -2.44 0.00 0.00 57.07 56.17 2z0r s TYR 81 Cb -0.07 -3.26 0.09 0.00 0.35 0.00 0.00 41.96 39.07 2z0r s TYR 81 CO 0.82 -0.61 1.09 -0.98 -1.34 0.00 0.00 175.55 174.53 2z0r s ARG 82 N -1.69 0.82 0.14 4.97 1.70 -1.26 -4.85 118.95 118.78 2z0r s ARG 82 Ca 0.48 -0.44 -0.18 0.00 -0.47 0.00 0.00 55.73 55.12 2z0r s ARG 82 Cb -0.30 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.35 2z0r s ARG 82 CO 0.39 -0.37 1.77 -1.35 -1.08 0.00 0.00 175.30 174.65 2z0r h PRO 83 N 2.00 0.29 0.00 3.89 0.11 -2.01 -2.82 132.00 133.47 2z0r h PRO 83 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2z0r h PRO 83 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2z0r h PRO 83 CO 0.27 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 2z0r n GLY 84 N -1.18 -0.73 3.67 -0.55 0.00 -1.26 -4.86 105.19 100.28 2z0r n GLY 84 Ca -0.01 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2z0r n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2z0r n THR 85 N -1.09 1.54 0.11 2.61 5.66 -1.07 -4.89 114.28 117.16 2z0r n THR 85 Ca 0.13 -0.39 0.06 0.00 -3.05 0.00 0.00 64.05 60.81 2z0r n THR 85 Cb 0.10 -1.44 0.01 0.00 -1.55 0.00 0.00 70.33 67.45 2z0r n THR 85 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2z0r h HIS 86 N 3.18 0.00 -2.16 1.09 3.86 -1.91 -3.47 115.15 115.74 2z0r h HIS 86 Ca -0.45 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.70 2z0r h HIS 86 Cb 1.29 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.55 2z0r h HIS 86 CO 0.53 0.30 0.08 0.50 0.86 0.00 0.00 177.93 180.20 2z0r s ARG 87 N -3.10 0.85 -0.06 2.45 6.06 -1.26 -5.12 118.95 118.77 2z0r s ARG 87 Ca 0.01 0.65 -0.30 0.00 -2.50 0.00 0.00 55.73 53.60 2z0r s ARG 87 Cb 0.08 0.41 -0.05 0.00 0.06 0.00 0.00 34.95 35.45 2z0r s ARG 87 CO 0.76 -0.17 1.54 0.00 -2.50 0.00 0.00 175.30 174.93 2z0r s ALA 88 N -0.22 3.63 -0.56 6.12 0.00 -1.26 -4.96 121.76 124.51 2z0r s ALA 88 Ca -0.04 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 2z0r s ALA 88 Cb -0.03 -3.69 0.10 0.00 0.00 0.00 0.00 23.12 19.49 2z0r s ALA 88 CO 0.04 -1.26 0.65 -0.65 0.00 0.00 0.00 175.76 174.54 2z0r s GLN 89 N 3.59 3.05 -0.15 0.00 -0.21 -1.26 -5.03 119.66 119.65 2z0r s GLN 89 Ca 0.68 -1.30 -0.05 0.00 0.02 0.00 0.00 55.36 54.72 2z0r s GLN 89 Cb -0.31 -4.24 -0.03 0.00 1.00 0.00 0.00 33.01 29.43 2z0r s GLN 89 CO 0.26 -1.44 0.01 0.08 -2.12 0.00 0.00 175.29 172.09 2z0r s VAL 90 N 2.49 4.33 -0.00 1.09 1.01 -1.26 0.30 120.40 128.36 2z0r s VAL 90 Ca 0.11 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2z0r s VAL 90 Cb -0.24 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2z0r s VAL 90 CO 0.07 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 2z0r s ALA 91 N 0.05 1.32 0.09 5.51 0.00 -0.05 -4.96 121.76 123.72 2z0r s ALA 91 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 2z0r s ALA 91 Cb -0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 2z0r s ALA 91 CO 0.02 0.31 0.51 1.03 0.00 0.00 0.00 175.76 177.63 2z0r s ARG 92 N -0.51 4.02 0.22 0.00 0.52 -1.26 -0.64 118.95 121.29 2z0r s ARG 92 Ca 0.06 0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 55.70 2z0r s ARG 92 Cb -0.06 -3.09 0.32 0.00 0.52 0.00 0.00 34.95 32.63 2z0r s ARG 92 CO -0.00 0.58 1.71 0.28 0.02 0.00 0.00 175.30 177.89 2z0r h VAL 93 N 3.23 0.65 -0.94 3.52 2.07 -1.37 0.05 116.25 123.47 2z0r h VAL 93 Ca -0.50 -0.10 0.25 0.00 0.82 0.00 0.00 66.70 67.17 2z0r h VAL 93 Cb 1.21 0.32 -0.13 0.00 -1.52 0.00 0.00 31.29 31.16 2z0r h VAL 93 CO 0.64 0.06 0.45 0.11 0.02 0.00 0.00 177.57 178.84 2z0r h LYS 94 N 0.30 0.37 0.05 1.57 1.57 -1.94 0.46 116.57 118.95 2z0r h LYS 94 Ca 0.33 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.83 2z0r h LYS 94 Cb 0.49 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2z0r h LYS 94 CO -0.40 0.24 -1.08 -0.44 -0.57 0.00 0.00 179.45 177.21 2z0r h ASP 95 N 0.38 0.72 0.17 0.86 3.45 -1.43 -3.14 116.42 117.43 2z0r h ASP 95 Ca 0.62 -0.61 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 2z0r h ASP 95 Cb 1.26 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 2z0r h ASP 95 CO -0.56 1.42 -0.22 -0.07 -1.57 0.00 0.00 179.24 178.24 2z0r h LEU 96 N 0.27 0.11 -0.88 1.55 3.38 0.63 -1.58 115.31 118.79 2z0r h LEU 96 Ca -0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2z0r h LEU 96 Cb 1.74 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2z0r h LEU 96 CO 0.20 0.34 -0.08 -0.07 0.09 0.00 0.00 178.44 178.92 2z0r h LEU 97 N 0.10 0.00 0.16 1.67 3.38 -0.27 -2.77 115.31 117.58 2z0r h LEU 97 Ca 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 2z0r h LEU 97 Cb 0.46 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.23 2z0r h LEU 97 CO 0.03 0.08 -1.04 -0.08 0.09 0.00 0.00 178.44 177.52 2z0r h GLU 98 N 0.00 0.33 0.05 1.13 4.81 -1.26 -3.25 114.58 116.40 2z0r h GLU 98 Ca -0.00 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2z0r h GLU 98 Cb 0.76 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2z0r h GLU 98 CO 0.01 1.27 -0.03 0.93 -0.73 0.00 0.00 179.01 180.47 2z0r h GLU 99 N -0.27 -0.07 -0.81 1.92 5.08 -1.40 -2.79 114.58 116.24 2z0r h GLU 99 Ca -0.19 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.33 2z0r h GLU 99 Cb 1.76 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.96 2z0r h GLU 99 CO 0.16 -0.00 0.53 0.28 -1.00 0.00 0.00 179.01 178.98 2z0r h VAL 100 N -0.12 0.78 0.00 3.13 2.07 -1.64 -3.52 116.25 116.96 2z0r h VAL 100 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2z0r h VAL 100 Cb 0.10 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2z0r h VAL 100 CO 0.01 0.08 0.00 0.54 0.02 0.00 0.00 177.57 178.22