#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 2.32 0.13 -2.67 4.77 -1.26 -4.70 117.00 115.59 2z0r n LEU 5 Ca 0.00 -2.35 0.13 0.00 -0.03 0.00 0.00 56.01 53.76 2z0r n LEU 5 Cb 0.00 -0.17 0.37 0.00 -2.33 0.00 0.00 43.42 41.29 2z0r n LEU 5 CO 0.00 0.59 0.87 0.77 -1.33 0.00 0.00 177.39 178.30 2z0r h SER 6 N 0.36 0.00 -3.22 -1.43 4.64 -2.01 -3.47 113.55 108.42 2z0r h SER 6 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2z0r h SER 6 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2z0r h SER 6 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2z0r n GLY 7 N 1.20 1.22 3.62 -0.77 0.00 -1.26 -5.02 105.19 104.19 2z0r n GLY 7 Ca 0.05 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2z0r n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2z0r n THR 8 N -1.04 2.58 -4.44 2.61 -1.04 -1.26 -4.99 114.28 106.71 2z0r n THR 8 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 2z0r n THR 8 Cb 0.00 -1.22 -0.10 0.00 -1.82 0.00 0.00 70.33 67.19 2z0r n THR 8 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2z0r s TRP 9 N -1.29 3.10 -0.12 -1.42 0.52 -0.77 -4.73 118.94 114.23 2z0r s TRP 9 Ca 0.64 0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.92 2z0r s TRP 9 Cb -0.53 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.02 2z0r s TRP 9 CO 0.56 0.43 -0.18 0.71 0.02 0.00 0.00 176.95 178.49 2z0r s TYR 10 N -0.88 2.71 0.14 -1.98 2.02 -0.24 0.03 117.35 119.16 2z0r s TYR 10 Ca 0.13 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 55.95 2z0r s TYR 10 Cb -0.11 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 2z0r s TYR 10 CO 0.02 -0.35 0.05 0.14 -1.57 0.00 0.00 175.55 173.84 2z0r s VAL 11 N 0.44 0.24 -0.07 0.71 -7.23 -0.51 -0.74 120.40 113.24 2z0r s VAL 11 Ca -0.13 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 2z0r s VAL 11 Cb -0.17 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 2z0r s VAL 11 CO 0.06 -0.45 0.27 -0.76 -0.31 0.00 0.00 175.10 173.91 2z0r s LEU 12 N -3.09 4.42 -0.04 1.32 1.02 -1.26 0.06 118.68 121.12 2z0r s LEU 12 Ca 0.25 0.70 -0.08 0.00 0.02 0.00 0.00 54.13 55.01 2z0r s LEU 12 Cb 0.07 -2.33 0.01 0.00 0.02 0.00 0.00 46.19 43.97 2z0r s LEU 12 CO 0.03 0.35 0.19 -0.70 0.02 0.00 0.00 176.35 176.24 2z0r s GLU 13 N -0.94 0.40 0.00 1.70 2.12 -0.81 -3.25 118.70 117.92 2z0r s GLU 13 Ca 0.19 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2z0r s GLU 13 Cb -0.14 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2z0r s GLU 13 CO 0.08 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2z0r n GLY 14 N 2.12 0.46 3.77 -1.50 0.00 0.19 -0.57 105.19 109.66 2z0r n GLY 14 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.60 7.42 -0.17 1.61 1.01 -1.26 -4.80 116.67 119.88 2z0r s ASP 15 Ca 0.00 1.87 -0.15 0.00 0.71 0.00 0.00 52.55 54.98 2z0r s ASP 15 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 2z0r s ASP 15 CO 0.00 -0.01 0.73 -2.65 0.21 0.00 0.00 175.17 173.45 2z0r n PRO 16 N 0.80 0.00 0.00 8.23 -0.02 -1.26 0.12 135.00 142.87 2z0r n PRO 16 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2z0r n PRO 16 Cb 0.49 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.46 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 2.55 2.00 3.51 -1.23 0.00 -1.26 -5.03 105.19 105.73 2z0r n GLY 17 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.96 3.30 0.10 1.61 2.02 0.33 -5.00 118.70 120.10 2z0r s GLU 18 Ca 0.00 -0.37 0.05 0.00 0.02 0.00 0.00 54.97 54.67 2z0r s GLU 18 Cb 0.00 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2z0r s GLU 18 CO 0.00 -1.45 0.03 -1.01 0.02 0.00 0.00 175.26 172.84 2z0r s HIS 19 N 3.75 3.03 -0.21 1.61 3.76 -1.26 0.54 115.29 126.51 2z0r s HIS 19 Ca 0.28 -0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.88 2z0r s HIS 19 Cb -0.14 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 2z0r s HIS 19 CO 0.18 0.50 1.51 -1.17 -0.85 0.00 0.00 174.74 174.90 2z0r s LEU 20 N -2.46 3.98 -0.06 0.89 2.96 -1.20 -4.96 118.68 117.84 2z0r s LEU 20 Ca 0.27 1.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.85 2z0r s LEU 20 Cb -0.11 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 2z0r s LEU 20 CO 0.20 -1.11 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.21 2z0r s VAL 21 N 4.65 1.76 0.03 1.68 1.01 -1.26 -4.27 120.40 124.00 2z0r s VAL 21 Ca 0.66 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2z0r s VAL 21 Cb -0.24 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2z0r s VAL 21 CO 0.26 0.50 -0.14 0.68 0.00 0.00 0.00 175.10 176.39 2z0r s VAL 22 N 0.00 1.13 -0.32 2.92 -7.23 0.23 -4.94 120.40 112.19 2z0r s VAL 22 Ca -0.06 -0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 2z0r s VAL 22 Cb -0.13 -1.01 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 2z0r s VAL 22 CO 0.04 0.06 0.15 -1.61 -0.31 0.00 0.00 175.10 173.42 2z0r s GLU 23 N -1.02 3.24 0.25 4.82 2.02 -1.26 0.11 118.70 126.86 2z0r s GLU 23 Ca 0.02 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 54.05 2z0r s GLU 23 Cb -0.07 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.61 2z0r s GLU 23 CO 0.01 -0.46 0.61 0.00 0.02 0.00 0.00 175.26 175.44 2z0r s ALA 24 N 1.59 -0.89 -1.77 5.21 0.00 -0.53 -4.94 121.76 120.43 2z0r s ALA 24 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2z0r s ALA 24 Cb -0.17 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.86 2z0r s ALA 24 CO 0.06 -0.93 0.00 1.28 0.00 0.00 0.00 175.76 176.17 2z0r n LEU 25 N -0.41 -1.65 -0.32 0.00 4.77 -1.26 -1.04 117.00 117.09 2z0r n LEU 25 Ca -0.05 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 2z0r n LEU 25 Cb 0.61 -2.74 -0.02 0.00 -2.33 0.00 0.00 43.42 38.94 2z0r n LEU 25 CO 0.17 -0.47 -0.04 0.61 -1.33 0.00 0.00 177.39 176.34 2z0r n GLY 26 N -0.77 0.69 2.65 -0.72 0.00 -1.26 -4.99 105.19 100.80 2z0r n GLY 26 Ca -0.21 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2z0r n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2z0r n GLU 27 N -2.52 0.52 -3.78 1.61 1.02 -0.21 -5.13 120.64 112.14 2z0r n GLU 27 Ca -0.04 -2.31 -0.37 0.00 -0.02 0.00 0.00 57.16 54.43 2z0r n GLU 27 Cb 0.18 2.15 -0.13 0.00 -0.02 0.00 0.00 31.44 33.62 2z0r n GLU 27 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2z0r s ARG 28 N -2.72 3.40 0.29 3.49 0.52 -1.26 -1.45 118.95 121.22 2z0r s ARG 28 Ca 0.25 -0.64 0.10 0.00 -0.52 0.00 0.00 55.73 54.91 2z0r s ARG 28 Cb -0.00 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 2z0r s ARG 28 CO 0.18 -0.29 -0.05 -0.51 0.02 0.00 0.00 175.30 174.65 2z0r s LEU 29 N 1.55 2.96 0.00 2.53 1.43 0.12 -2.79 118.68 124.48 2z0r s LEU 29 Ca 0.05 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2z0r s LEU 29 Cb -0.16 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2z0r s LEU 29 CO 0.02 -0.06 0.19 -0.24 0.23 0.00 0.00 176.35 176.49 2z0r n SER 30 N -0.84 0.56 -4.09 2.29 2.88 -1.08 -0.61 113.62 112.73 2z0r n SER 30 Ca -0.05 -3.12 -0.11 0.00 -1.33 0.00 0.00 58.87 54.26 2z0r n SER 30 Cb 0.60 1.22 -0.11 0.00 -0.75 0.00 0.00 64.21 65.17 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 -3.38 0.56 0.02 0.46 0.00 -1.26 -4.36 107.32 99.36 2z0r s GLY 31 Ca 0.27 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 44.01 2z0r s GLY 31 CO 0.19 -1.07 -0.05 -0.42 0.00 0.00 0.00 173.10 171.75 2z0r s ILE 32 N -2.43 0.37 0.07 0.90 1.01 -1.26 -4.64 121.20 115.22 2z0r s ILE 32 Ca -0.01 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2z0r s ILE 32 Cb -0.03 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 2z0r s ILE 32 CO -0.03 -0.14 -0.16 0.26 0.00 0.00 0.00 174.94 174.87 2z0r s TRP 33 N -0.69 1.38 -1.96 3.97 0.51 0.09 0.95 118.94 123.17 2z0r s TRP 33 Ca -0.04 -0.43 0.26 0.00 -2.12 0.00 0.00 56.10 53.77 2z0r s TRP 33 Cb -0.05 -0.78 0.59 0.00 -0.81 0.00 0.00 33.47 32.41 2z0r s TRP 33 CO -0.00 0.09 1.46 0.25 -0.51 0.00 0.00 176.95 178.24 2z0r n THR 34 N 1.38 0.00 -3.90 2.01 -2.24 -1.26 -1.08 114.28 109.19 2z0r n THR 34 Ca -0.20 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2z0r n THR 34 Cb 0.54 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.41 0.09 0.20 3.42 1.04 -1.26 -4.86 113.70 109.92 2z0r s SER 35 Ca 0.25 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 2z0r s SER 35 Cb 0.19 0.18 0.15 0.00 0.10 0.00 0.00 66.02 66.64 2z0r s SER 35 CO 0.50 -0.36 1.86 -0.09 0.98 0.00 0.00 173.24 176.13 2z0r h ARG 36 N 4.35 0.85 -0.01 4.02 2.43 -1.96 -2.71 114.38 121.36 2z0r h ARG 36 Ca -0.31 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2z0r h ARG 36 Cb 1.20 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2z0r h ARG 36 CO 0.41 0.56 -0.08 1.49 -1.51 0.00 0.00 179.97 180.84 2z0r h GLU 37 N 0.88 -0.13 -0.97 0.20 4.81 -1.98 -0.03 114.58 117.35 2z0r h GLU 37 Ca 0.26 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.59 2z0r h GLU 37 Cb -0.05 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 2z0r h GLU 37 CO -0.08 -0.09 0.62 -0.07 -0.73 0.00 0.00 179.01 178.67 2z0r h LEU 38 N -0.14 0.93 -0.18 1.64 3.38 -1.93 -0.54 115.31 118.48 2z0r h LEU 38 Ca 0.04 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 2z0r h LEU 38 Cb 0.18 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2z0r h LEU 38 CO -0.09 0.55 -0.77 0.00 0.09 0.00 0.00 178.44 178.22 2z0r h ALA 39 N 1.51 0.33 0.00 1.53 0.00 -1.14 -2.87 119.26 118.63 2z0r h ALA 39 Ca 0.45 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2z0r h ALA 39 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2z0r h ALA 39 CO -0.20 0.69 -0.18 0.93 0.00 0.00 0.00 179.25 180.48 2z0r h GLU 40 N 0.54 0.00 -0.05 0.00 5.08 -0.49 -0.41 114.58 119.24 2z0r h GLU 40 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2z0r h GLU 40 Cb 1.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 2z0r h GLU 40 CO 0.16 0.18 -0.05 0.00 -1.00 0.00 0.00 179.01 178.30 2z0r h ALA 41 N 1.82 0.08 -0.54 3.43 0.00 -0.99 -1.35 119.26 121.71 2z0r h ALA 41 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2z0r h ALA 41 Cb 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2z0r h ALA 41 CO 0.02 -0.13 0.28 0.35 0.00 0.00 0.00 179.25 179.77 2z0r h PHE 42 N -0.31 0.75 -0.41 0.00 3.57 -1.24 -2.00 116.94 117.30 2z0r h PHE 42 Ca 0.01 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2z0r h PHE 42 Cb 0.55 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2z0r h PHE 42 CO 0.09 0.57 0.23 1.25 -2.23 0.00 0.00 178.31 178.22 2z0r h LEU 43 N 0.72 0.50 -0.46 0.59 6.46 -1.05 -0.34 115.31 121.73 2z0r h LEU 43 Ca 0.19 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2z0r h LEU 43 Cb 0.08 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2z0r h LEU 43 CO -0.03 0.40 0.00 0.00 -0.62 0.00 0.00 178.44 178.19 2z0r n ALA 44 N -2.47 1.71 0.81 1.25 0.00 -0.52 -2.27 120.51 119.02 2z0r n ALA 44 Ca 0.03 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.60 2z0r n ALA 44 Cb 0.09 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.09 2z0r n ALA 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2z0r n HIS 45 N -2.02 0.00 -3.57 0.00 8.25 -0.19 -4.72 115.22 112.98 2z0r n HIS 45 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 2z0r n HIS 45 Cb 0.22 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.48 0.92 -2.25 4.41 8.25 -0.90 -5.11 115.22 119.06 2z0r n HIS 46 Ca 0.03 -3.75 -0.26 0.00 -0.26 0.00 0.00 57.72 53.48 2z0r n HIS 46 Cb 0.30 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.74 2.50 -0.74 -0.41 0.02 -1.25 -4.41 135.00 129.96 2z0r s PRO 47 Ca 0.31 -0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.20 2z0r s PRO 47 Cb 0.03 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2z0r s PRO 47 CO -0.17 -1.03 0.00 0.72 -0.33 0.00 0.00 177.00 176.19 2z0r n HIS 48 N -2.80 0.00 0.59 6.54 8.25 -1.26 -4.84 115.22 121.69 2z0r n HIS 48 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 2z0r n HIS 48 Cb 0.59 -1.73 0.11 0.00 1.12 0.00 0.00 29.99 30.08 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 -0.79 2.74 -2.33 2.41 4.77 -1.26 -5.26 117.00 117.27 2z0r n LEU 49 Ca -0.07 -1.18 -0.03 0.00 -0.03 0.00 0.00 56.01 54.71 2z0r n LEU 49 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2z0r n LEU 49 CO 0.11 0.52 0.10 0.61 -1.33 0.00 0.00 177.39 177.40 2z0r n GLY 50 N 1.08 -0.97 0.00 -0.72 0.00 -1.26 -4.92 105.19 98.40 2z0r n GLY 50 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.82 0.00 -2.11 1.61 1.85 0.27 -4.11 116.66 113.34 2z0r n ARG 52 Ca 0.04 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.48 2z0r n ARG 52 Cb 0.36 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.75 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 -1.20 2.79 -0.01 8.89 1.01 -1.26 -1.93 120.40 128.69 2z0r s VAL 53 Ca 0.00 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.76 2z0r s VAL 53 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2z0r s VAL 53 CO 0.00 0.15 -0.15 -0.55 0.00 0.00 0.00 175.10 174.54 2z0r s SER 54 N -0.11 1.81 -0.18 3.32 0.15 0.11 -4.92 113.70 113.88 2z0r s SER 54 Ca 0.53 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 2z0r s SER 54 Cb -0.40 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 2z0r s SER 54 CO 0.48 0.19 0.06 0.00 1.20 0.00 0.00 173.24 175.17 2z0r s ALA 55 N -0.37 3.42 -0.73 5.45 0.00 -1.26 -1.42 121.76 126.85 2z0r s ALA 55 Ca 0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 2z0r s ALA 55 Cb -0.06 -1.91 0.18 0.00 0.00 0.00 0.00 23.12 21.34 2z0r s ALA 55 CO -0.01 0.21 0.57 -0.51 0.00 0.00 0.00 175.76 176.02 2z0r s LEU 56 N 0.26 5.36 0.22 0.00 1.43 0.11 -4.92 118.68 121.13 2z0r s LEU 56 Ca 0.04 -3.20 0.17 0.00 -1.03 0.00 0.00 54.13 50.11 2z0r s LEU 56 Cb -0.12 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2z0r s LEU 56 CO 0.00 -0.29 1.21 1.05 0.23 0.00 0.00 176.35 178.55 2z0r h GLU 57 N 6.61 0.00 -6.13 1.70 9.09 -1.95 -2.03 114.58 121.86 2z0r h GLU 57 Ca 0.06 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.96 2z0r h GLU 57 Cb 0.90 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.95 2z0r h GLU 57 CO 0.76 0.32 -0.42 -1.54 0.05 0.00 0.00 179.01 178.18 2z0r s SER 58 N -6.08 4.97 0.23 3.06 1.04 -1.26 -4.74 113.70 110.93 2z0r s SER 58 Ca 0.02 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 2z0r s SER 58 Cb 0.08 -0.63 0.24 0.00 0.10 0.00 0.00 66.02 65.81 2z0r s SER 58 CO 0.76 -0.56 1.64 -0.09 0.98 0.00 0.00 173.24 175.97 2z0r h ARG 59 N 1.16 0.66 -0.32 4.02 2.43 -1.92 -2.16 114.38 118.24 2z0r h ARG 59 Ca -0.42 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 58.50 2z0r h ARG 59 Cb 1.26 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2z0r h ARG 59 CO 0.60 0.86 0.12 0.00 -1.51 0.00 0.00 179.97 180.04 2z0r h ALA 60 N 1.13 0.37 -0.16 2.80 0.00 -1.95 0.25 119.26 121.69 2z0r h ALA 60 Ca 0.07 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2z0r h ALA 60 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2z0r h ALA 60 CO 0.06 -0.28 -0.34 -0.07 0.00 0.00 0.00 179.25 178.62 2z0r h LEU 61 N 0.26 0.34 -0.40 0.00 3.38 -1.92 -0.17 115.31 116.79 2z0r h LEU 61 Ca 0.14 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2z0r h LEU 61 Cb 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2z0r h LEU 61 CO -0.14 0.66 0.02 0.11 0.09 0.00 0.00 178.44 179.19 2z0r h LYS 62 N 0.28 0.70 0.17 1.13 1.57 -0.76 -1.12 116.57 118.55 2z0r h LYS 62 Ca 0.03 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2z0r h LYS 62 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2z0r h LYS 62 CO 0.06 0.77 -0.08 0.93 -0.57 0.00 0.00 179.45 180.56 2z0r h GLU 63 N 0.54 -0.22 -0.96 3.15 4.39 -0.13 -1.13 114.58 120.21 2z0r h GLU 63 Ca 0.12 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.89 2z0r h GLU 63 Cb 0.44 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2z0r h GLU 63 CO 0.02 -0.13 0.62 0.00 -1.16 0.00 0.00 179.01 178.35 2z0r h ALA 64 N 0.58 1.31 -0.10 3.43 0.00 -0.98 0.88 119.26 124.38 2z0r h ALA 64 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2z0r h ALA 64 Cb 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2z0r h ALA 64 CO 0.04 0.43 0.05 -0.92 0.00 0.00 0.00 179.25 178.85 2z0r h TYR 65 N 1.15 0.14 -0.55 0.00 3.20 -0.93 0.22 116.97 120.21 2z0r h TYR 65 Ca 0.41 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 2z0r h TYR 65 Cb 0.11 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2z0r h TYR 65 CO -0.01 0.21 0.27 -0.07 -1.64 0.00 0.00 178.16 176.93 2z0r h LEU 66 N 0.03 0.69 -0.59 2.82 3.38 -0.53 0.64 115.31 121.75 2z0r h LEU 66 Ca 0.03 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2z0r h LEU 66 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2z0r h LEU 66 CO -0.00 0.58 -0.03 0.03 0.09 0.00 0.00 178.44 179.11 2z0r h ARG 67 N 0.77 1.06 -0.30 1.13 3.08 -0.42 -1.57 114.38 118.13 2z0r h ARG 67 Ca 0.19 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2z0r h ARG 67 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2z0r h ARG 67 CO -0.03 1.05 0.20 0.00 -1.07 0.00 0.00 179.97 180.12 2z0r h ALA 68 N 0.97 0.38 -0.97 0.04 0.00 0.84 -1.66 119.26 118.86 2z0r h ALA 68 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2z0r h ALA 68 Cb 0.60 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2z0r h ALA 68 CO 0.04 -0.16 0.62 -0.07 0.00 0.00 0.00 179.25 179.68 2z0r h LEU 69 N 0.40 0.95 -1.39 0.00 3.38 -0.64 0.66 115.31 118.67 2z0r h LEU 69 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2z0r h LEU 69 Cb -0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2z0r h LEU 69 CO -0.03 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2z0r n GLY 70 N -1.37 0.00 0.00 0.83 0.00 -0.62 -1.03 105.19 103.00 2z0r n GLY 70 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.67 0.00 -1.69 0.99 4.32 0.22 -4.46 117.00 117.04 2z0r n LEU 72 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 2z0r n LEU 72 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2z0r n LEU 72 CO 0.00 0.00 -0.13 0.00 -1.22 0.00 0.00 177.39 176.04 2z0r n GLN 73 N 0.00 -1.66 -3.30 3.23 1.13 -0.55 -4.98 117.38 111.25 2z0r n GLN 73 Ca 0.00 0.65 -0.40 0.00 -1.94 0.00 0.00 57.00 55.31 2z0r n GLN 73 Cb 0.00 -4.89 -0.08 0.00 0.11 0.00 0.00 30.24 25.37 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 -2.76 5.10 0.03 5.09 1.01 -0.20 -4.67 120.40 124.00 2z0r s VAL 74 Ca 0.05 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2z0r s VAL 74 Cb -0.02 -3.81 -0.26 0.00 0.00 0.00 0.00 36.38 32.29 2z0r s VAL 74 CO 0.07 0.04 0.95 -0.33 0.00 0.00 0.00 175.10 175.82 2z0r h GLU 75 N 8.19 0.17 -4.32 2.72 4.39 -1.83 -3.42 114.58 120.48 2z0r h GLU 75 Ca -0.30 -0.29 -0.18 0.00 0.34 0.00 0.00 59.36 58.93 2z0r h GLU 75 Cb 1.14 0.11 -0.14 0.00 -0.10 0.00 0.00 28.75 29.77 2z0r h GLU 75 CO 0.70 1.03 -0.51 0.00 -1.16 0.00 0.00 179.01 179.07 2z0r s ALA 76 N -2.64 0.74 0.00 3.43 0.00 -1.25 -0.37 121.76 121.67 2z0r s ALA 76 Ca -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2z0r s ALA 76 Cb 0.08 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.35 2z0r s ALA 76 CO 0.85 -0.61 0.00 1.33 0.00 0.00 0.00 175.76 177.32 2z0r n VAL 77 N -0.24 0.00 -3.66 0.00 0.24 0.83 -2.65 118.33 112.85 2z0r n VAL 77 Ca -0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 2z0r n VAL 77 Cb 0.64 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.94 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 1.76 -0.44 -1.35 3.34 1.01 -0.08 -0.56 120.40 124.09 2z0r s VAL 79 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 2z0r s VAL 79 Cb 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2z0r s VAL 79 CO 0.00 0.03 0.80 0.47 0.00 0.00 0.00 175.10 176.40 2z0r n ASP 80 N 4.88 -2.21 -4.74 3.32 8.00 0.27 -4.51 116.55 121.55 2z0r n ASP 80 Ca -0.16 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 2z0r n ASP 80 Cb 0.53 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.48 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 -3.56 3.06 0.03 1.24 5.04 -1.26 -5.00 117.35 116.90 2z0r s TYR 81 Ca 0.17 0.93 -0.17 0.00 -2.44 0.00 0.00 57.07 55.56 2z0r s TYR 81 Cb -0.08 -3.83 0.03 0.00 0.35 0.00 0.00 41.96 38.43 2z0r s TYR 81 CO 0.81 -2.80 0.38 -0.98 -1.34 0.00 0.00 175.55 171.62 2z0r s ARG 82 N 0.13 0.86 0.62 4.97 1.70 -1.26 -4.91 118.95 121.06 2z0r s ARG 82 Ca 0.62 -0.36 0.29 0.00 -0.47 0.00 0.00 55.73 55.81 2z0r s ARG 82 Cb -0.42 0.38 1.55 0.00 -0.57 0.00 0.00 34.95 35.89 2z0r s ARG 82 CO 0.39 -0.28 1.93 -1.35 -1.08 0.00 0.00 175.30 174.91 2z0r h PRO 83 N 3.18 0.00 -5.11 3.89 0.11 -2.02 -3.43 132.00 128.63 2z0r h PRO 83 Ca -0.31 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.32 2z0r h PRO 83 Cb 1.20 0.00 0.19 0.00 0.11 0.00 0.00 31.00 32.50 2z0r h PRO 83 CO 0.44 0.00 -1.39 0.41 -0.21 0.00 0.00 178.00 177.24 2z0r n GLY 84 N -1.39 -3.57 0.00 -0.55 0.00 -1.26 -4.99 105.19 93.43 2z0r n GLY 84 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2z0r n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2z0r n THR 85 N -1.85 0.00 0.00 2.61 -1.04 -1.26 -4.89 114.28 107.85 2z0r n THR 85 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2z0r n THR 85 Cb 0.45 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 2z0r n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2z0r n HIS 86 N 0.00 0.00 -4.48 -1.42 1.44 -1.26 -4.74 115.22 104.76 2z0r n HIS 86 Ca 0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 2z0r n HIS 86 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2z0r n HIS 86 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2z0r s ARG 87 N 0.00 1.88 -0.22 -1.40 0.52 -1.26 -5.13 118.95 113.33 2z0r s ARG 87 Ca 0.00 -2.13 -0.10 0.00 -0.52 0.00 0.00 55.73 52.98 2z0r s ARG 87 Cb 0.00 -0.54 -0.05 0.00 0.52 0.00 0.00 34.95 34.88 2z0r s ARG 87 CO 0.00 -0.47 0.14 0.00 0.02 0.00 0.00 175.30 174.99 2z0r s ALA 88 N -3.26 3.61 -0.32 2.13 0.00 -1.26 -5.04 121.76 117.62 2z0r s ALA 88 Ca 0.26 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2z0r s ALA 88 Cb 0.03 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2z0r s ALA 88 CO 0.15 -0.04 0.30 1.14 0.00 0.00 0.00 175.76 177.32 2z0r s GLN 89 N 0.76 3.70 -0.19 0.00 0.00 -1.26 -5.05 119.66 117.62 2z0r s GLN 89 Ca 0.07 -0.37 0.01 0.00 -0.00 0.00 0.00 55.36 55.07 2z0r s GLN 89 Cb -0.13 -3.75 0.02 0.00 0.00 0.00 0.00 33.01 29.16 2z0r s GLN 89 CO 0.02 -0.40 -0.18 0.08 0.00 0.00 0.00 175.29 174.81 2z0r s VAL 90 N 1.91 2.16 -0.14 3.63 1.01 -1.26 -0.90 120.40 126.81 2z0r s VAL 90 Ca 0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2z0r s VAL 90 Cb -0.16 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2z0r s VAL 90 CO 0.11 0.48 0.03 0.00 0.00 0.00 0.00 175.10 175.71 2z0r s ALA 91 N 1.28 3.32 0.27 5.51 0.00 0.27 -4.91 121.76 127.51 2z0r s ALA 91 Ca 0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 2z0r s ALA 91 Cb -0.14 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.18 2z0r s ALA 91 CO -0.12 0.36 1.14 1.03 0.00 0.00 0.00 175.76 178.17 2z0r s ARG 92 N -0.16 4.58 0.46 0.00 1.81 -1.26 -0.12 118.95 124.25 2z0r s ARG 92 Ca 0.06 1.87 0.14 0.00 -1.72 0.00 0.00 55.73 56.08 2z0r s ARG 92 Cb -0.12 -3.18 1.04 0.00 -0.45 0.00 0.00 34.95 32.24 2z0r s ARG 92 CO 0.02 0.12 2.02 0.28 -0.68 0.00 0.00 175.30 177.06 2z0r h VAL 93 N 3.18 1.11 -0.46 3.52 2.07 -1.01 -1.64 116.25 123.02 2z0r h VAL 93 Ca -0.47 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 66.60 2z0r h VAL 93 Cb 1.21 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 2z0r h VAL 93 CO 0.68 0.14 0.20 0.50 0.02 0.00 0.00 177.57 179.11 2z0r h LYS 94 N 0.02 0.39 -0.07 1.57 3.64 -1.91 -0.99 116.57 119.23 2z0r h LYS 94 Ca 0.00 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 2z0r h LYS 94 Cb 0.25 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2z0r h LYS 94 CO 0.02 0.25 -0.77 -0.44 -2.27 0.00 0.00 179.45 176.24 2z0r h ASP 95 N 0.40 0.49 0.36 4.20 3.32 -1.72 -3.00 116.42 120.47 2z0r h ASP 95 Ca 0.21 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2z0r h ASP 95 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2z0r h ASP 95 CO -0.18 1.09 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.14 2z0r h LEU 96 N 0.27 0.00 -1.38 1.55 3.38 -0.91 0.22 115.31 118.44 2z0r h LEU 96 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2z0r h LEU 96 Cb 1.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2z0r h LEU 96 CO 0.13 0.22 0.09 -0.07 0.09 0.00 0.00 178.44 178.90 2z0r h LEU 97 N 0.00 0.46 0.14 1.67 -0.00 -1.04 0.20 115.31 116.73 2z0r h LEU 97 Ca -0.00 -0.06 -0.35 0.00 -0.00 0.00 0.00 57.88 57.47 2z0r h LEU 97 Cb 0.46 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2z0r h LEU 97 CO 0.03 0.46 -1.86 -0.08 -0.00 0.00 0.00 178.44 176.99 2z0r h GLU 98 N 0.50 0.29 -0.29 1.13 4.57 -1.34 -3.36 114.58 116.08 2z0r h GLU 98 Ca 0.12 -0.50 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2z0r h GLU 98 Cb 0.19 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2z0r h GLU 98 CO -0.00 1.20 0.17 0.93 -1.18 0.00 0.00 179.01 180.12 2z0r h GLU 99 N 0.08 0.34 0.00 1.92 5.08 -0.40 -1.93 114.58 119.67 2z0r h GLU 99 Ca -0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2z0r h GLU 99 Cb 2.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.23 2z0r h GLU 99 CO 0.13 0.22 0.13 -0.24 -1.00 0.00 0.00 179.01 178.25 2z0r h VAL 100 N 0.35 0.00 0.00 3.13 3.04 -1.11 -0.94 116.25 120.72 2z0r h VAL 100 Ca 0.12 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.80 2z0r h VAL 100 Cb 0.00 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 29.78 2z0r h VAL 100 CO -0.06 0.00 -0.01 0.03 -1.01 0.00 0.00 177.57 176.52 2z0r h ARG 101 N 0.00 0.00 -0.03 4.17 2.47 -1.49 -1.83 114.38 117.67 2z0r h ARG 101 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2z0r h ARG 101 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2z0r h ARG 101 CO 0.00 0.01 0.00 0.54 0.56 0.00 0.00 179.97 181.08 2z0r n ARG 102 N -3.13 1.68 0.00 0.04 1.74 -0.36 -5.16 116.66 111.46 2z0r n ARG 102 Ca -0.01 -0.98 0.13 0.00 -0.77 0.00 0.00 57.85 56.21 2z0r n ARG 102 Cb 0.19 -1.47 0.27 0.00 -1.02 0.00 0.00 32.46 30.43 2z0r n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11