#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 -0.09 -2.12 4.77 -1.26 -3.82 117.00 114.48 2z0r n LEU 5 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2z0r n LEU 5 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2z0r n LEU 5 CO 0.00 0.00 0.50 0.28 -1.33 0.00 0.00 177.39 176.84 2z0r h SER 6 N 0.00 0.90 -0.19 -1.43 0.02 -2.03 -3.46 113.55 107.35 2z0r h SER 6 Ca 0.00 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2z0r h SER 6 Cb 0.00 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2z0r h SER 6 CO 0.00 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.53 2z0r n GLY 7 N 0.27 -1.16 3.77 -3.77 0.00 -1.25 -5.00 105.19 98.04 2z0r n GLY 7 Ca -0.04 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.10 2.55 0.04 2.61 2.01 -1.26 -4.96 115.64 116.52 2z0r s THR 8 Ca 0.00 0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 2z0r s THR 8 Cb 0.00 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2z0r s THR 8 CO 0.00 0.05 0.18 0.26 -0.69 0.00 0.00 174.62 174.41 2z0r s TRP 9 N -1.30 3.46 -0.20 4.92 0.52 -0.84 -4.64 118.94 120.87 2z0r s TRP 9 Ca 0.60 0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.98 2z0r s TRP 9 Cb -0.38 -1.75 0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2z0r s TRP 9 CO 0.48 0.59 -0.11 0.71 0.02 0.00 0.00 176.95 178.63 2z0r s TYR 10 N -1.43 2.46 0.46 -1.98 2.02 0.97 -0.55 117.35 119.30 2z0r s TYR 10 Ca 0.32 -1.60 0.03 0.00 -0.37 0.00 0.00 57.07 55.44 2z0r s TYR 10 Cb -0.13 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2z0r s TYR 10 CO 0.24 -0.75 0.07 0.14 -1.57 0.00 0.00 175.55 173.68 2z0r s VAL 11 N 1.38 0.91 0.12 0.71 -7.23 -0.42 0.43 120.40 116.30 2z0r s VAL 11 Ca -0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 2z0r s VAL 11 Cb -0.16 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2z0r s VAL 11 CO -0.08 0.00 0.11 -0.76 -0.31 0.00 0.00 175.10 174.05 2z0r s LEU 12 N -3.74 3.80 -0.27 1.32 1.02 -1.26 -0.65 118.68 118.90 2z0r s LEU 12 Ca 0.16 -0.07 -0.17 0.00 0.02 0.00 0.00 54.13 54.07 2z0r s LEU 12 Cb 0.02 -2.45 0.08 0.00 0.02 0.00 0.00 46.19 43.86 2z0r s LEU 12 CO 0.09 0.12 0.68 -0.70 0.02 0.00 0.00 176.35 176.56 2z0r s GLU 13 N -2.75 0.71 0.00 1.70 2.12 -0.92 -4.24 118.70 115.33 2z0r s GLU 13 Ca 0.30 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.80 2z0r s GLU 13 Cb -0.11 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2z0r s GLU 13 CO 0.23 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 2z0r n GLY 14 N 4.05 0.83 3.73 -1.50 0.00 -0.25 -2.03 105.19 110.02 2z0r n GLY 14 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 0.38 3.98 0.16 1.61 -0.00 -1.26 -4.84 116.67 116.70 2z0r s ASP 15 Ca 0.00 2.00 -0.31 0.00 -0.00 0.00 0.00 52.55 54.24 2z0r s ASP 15 Cb 0.00 -2.54 -0.11 0.00 -0.00 0.00 0.00 42.92 40.27 2z0r s ASP 15 CO 0.00 -2.39 1.76 -2.84 -0.00 0.00 0.00 175.17 171.70 2z0r s PRO 16 N -4.68 4.14 0.00 8.23 0.02 -1.26 -0.59 135.00 140.86 2z0r s PRO 16 Ca 0.65 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.25 2z0r s PRO 16 Cb -0.20 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.99 2z0r s PRO 16 CO 0.55 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 2z0r n GLY 17 N 4.08 1.52 3.38 0.52 0.00 -1.26 -5.00 105.19 108.43 2z0r n GLY 17 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.38 3.03 -0.28 1.61 2.12 0.24 -4.93 118.70 120.11 2z0r s GLU 18 Ca 0.00 -1.34 0.11 0.00 0.36 0.00 0.00 54.97 54.10 2z0r s GLU 18 Cb 0.00 -4.21 0.55 0.00 0.26 0.00 0.00 34.13 30.73 2z0r s GLU 18 CO 0.00 -1.29 1.52 0.72 -0.54 0.00 0.00 175.26 175.67 2z0r n HIS 19 N 5.73 1.35 -2.54 5.30 8.25 -1.26 -1.09 115.22 130.96 2z0r n HIS 19 Ca -0.11 -1.39 -0.00 0.00 -0.26 0.00 0.00 57.72 55.96 2z0r n HIS 19 Cb 0.43 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2z0r n HIS 19 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2z0r n LEU 20 N -0.88 -7.14 -4.66 2.41 7.94 -1.26 -4.55 117.00 108.86 2z0r n LEU 20 Ca 0.33 1.19 -0.35 0.00 -1.11 0.00 0.00 56.01 56.07 2z0r n LEU 20 Cb 1.09 -3.01 -0.09 0.00 0.53 0.00 0.00 43.42 41.94 2z0r n LEU 20 CO 0.24 -2.72 -0.22 -0.69 -1.11 0.00 0.00 177.39 172.89 2z0r s VAL 21 N -1.43 5.03 -0.17 1.96 1.01 -1.26 -4.46 120.40 121.07 2z0r s VAL 21 Ca 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2z0r s VAL 21 Cb -0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2z0r s VAL 21 CO 0.67 0.44 0.02 -0.69 0.00 0.00 0.00 175.10 175.54 2z0r s VAL 22 N 0.47 4.44 -0.39 2.92 1.01 0.28 -4.94 120.40 124.18 2z0r s VAL 22 Ca 0.05 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2z0r s VAL 22 Cb -0.12 -2.98 0.11 0.00 0.00 0.00 0.00 36.38 33.38 2z0r s VAL 22 CO -0.00 0.47 0.11 -0.70 0.00 0.00 0.00 175.10 174.98 2z0r s GLU 23 N 0.39 1.62 -0.11 2.72 2.12 -1.26 -0.80 118.70 123.38 2z0r s GLU 23 Ca 0.00 -2.10 0.03 0.00 0.36 0.00 0.00 54.97 53.27 2z0r s GLU 23 Cb -0.13 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2z0r s GLU 23 CO 0.01 -0.99 -0.23 0.00 -0.54 0.00 0.00 175.26 173.51 2z0r s ALA 24 N 0.55 2.22 0.00 6.30 0.00 -1.12 -4.96 121.76 124.75 2z0r s ALA 24 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2z0r s ALA 24 Cb -0.21 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2z0r s ALA 24 CO -0.06 0.23 0.00 -0.11 0.00 0.00 0.00 175.76 175.82 2z0r n LEU 25 N 3.62 0.00 -2.26 0.00 7.94 -1.26 -3.04 117.00 121.99 2z0r n LEU 25 Ca -0.19 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.46 2z0r n LEU 25 Cb 0.53 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.48 2z0r n LEU 25 CO 0.28 -0.22 1.42 0.61 -1.11 0.00 0.00 177.39 178.37 2z0r n GLY 26 N 0.00 4.54 2.68 -3.96 0.00 -1.26 -4.83 105.19 102.36 2z0r n GLY 26 Ca 0.00 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.15 2z0r n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2z0r s GLU 27 N -2.21 -0.05 -0.22 1.61 2.12 -1.17 -5.13 118.70 113.65 2z0r s GLU 27 Ca 0.48 0.34 -0.15 0.00 0.36 0.00 0.00 54.97 56.00 2z0r s GLU 27 Cb 0.35 -0.65 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 2z0r s GLU 27 CO -0.12 -0.37 0.35 1.03 -0.54 0.00 0.00 175.26 175.60 2z0r s ARG 28 N 2.18 4.12 0.09 4.30 0.52 -1.26 -2.78 118.95 126.12 2z0r s ARG 28 Ca 0.04 0.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.38 2z0r s ARG 28 Cb -0.13 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 2z0r s ARG 28 CO -0.04 -0.07 -0.14 -0.51 0.02 0.00 0.00 175.30 174.56 2z0r s LEU 29 N 1.41 2.32 0.00 2.53 1.43 0.02 -3.68 118.68 122.71 2z0r s LEU 29 Ca 0.16 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2z0r s LEU 29 Cb -0.15 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 2z0r s LEU 29 CO 0.08 -0.10 0.11 -0.24 0.23 0.00 0.00 176.35 176.43 2z0r n SER 30 N 1.00 1.68 -3.97 2.29 2.88 -1.14 -0.56 113.62 115.81 2z0r n SER 30 Ca -0.19 -3.16 -0.13 0.00 -1.33 0.00 0.00 58.87 54.05 2z0r n SER 30 Cb 0.55 0.88 -0.13 0.00 -0.75 0.00 0.00 64.21 64.76 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 -3.54 0.27 0.10 0.46 0.00 -1.26 -4.21 107.32 99.13 2z0r s GLY 31 Ca 0.16 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.58 2z0r s GLY 31 CO 0.11 -0.39 -0.19 -0.26 0.00 0.00 0.00 173.10 172.38 2z0r s ILE 32 N -0.62 1.54 0.15 0.90 -4.36 -1.26 -4.43 121.20 113.11 2z0r s ILE 32 Ca -0.04 -1.49 0.08 0.00 -0.26 0.00 0.00 60.65 58.94 2z0r s ILE 32 Cb -0.05 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.20 2z0r s ILE 32 CO -0.00 -0.12 -0.18 0.26 0.24 0.00 0.00 174.94 175.14 2z0r s TRP 33 N -1.23 1.77 -2.47 1.37 0.51 0.17 -0.82 118.94 118.24 2z0r s TRP 33 Ca 0.04 -0.47 0.22 0.00 -2.12 0.00 0.00 56.10 53.78 2z0r s TRP 33 Cb -0.10 -0.90 0.35 0.00 -0.81 0.00 0.00 33.47 32.01 2z0r s TRP 33 CO 0.04 0.28 1.34 0.25 -0.51 0.00 0.00 176.95 178.35 2z0r n THR 34 N 0.49 0.39 -3.82 2.01 -2.24 -1.26 -0.02 114.28 109.83 2z0r n THR 34 Ca -0.15 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.81 2z0r n THR 34 Cb 0.56 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.54 -0.10 0.19 3.42 1.04 -1.26 -4.87 113.70 110.58 2z0r s SER 35 Ca 0.35 0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 2z0r s SER 35 Cb 0.21 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.74 2z0r s SER 35 CO 0.30 -0.32 1.66 -0.09 0.98 0.00 0.00 173.24 175.77 2z0r h ARG 36 N 4.55 1.04 -0.77 4.02 2.43 -1.96 -3.04 114.38 120.65 2z0r h ARG 36 Ca -0.29 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2z0r h ARG 36 Cb 1.19 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2z0r h ARG 36 CO 0.39 1.02 0.49 1.05 -1.51 0.00 0.00 179.97 181.41 2z0r h GLU 37 N 0.95 1.03 -0.36 0.20 9.09 -1.98 0.87 114.58 124.39 2z0r h GLU 37 Ca 0.17 -0.08 -0.02 0.00 0.05 0.00 0.00 59.36 59.48 2z0r h GLU 37 Cb 0.56 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 2z0r h GLU 37 CO 0.03 0.71 0.13 1.25 0.05 0.00 0.00 179.01 181.17 2z0r h LEU 38 N 1.05 0.50 -0.90 3.06 6.46 -1.97 0.35 115.31 123.86 2z0r h LEU 38 Ca 0.28 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2z0r h LEU 38 Cb -0.08 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 2z0r h LEU 38 CO -0.06 0.55 0.29 0.00 -0.62 0.00 0.00 178.44 178.60 2z0r h ALA 39 N 0.97 1.13 -0.26 1.25 0.00 -1.40 -0.79 119.26 120.16 2z0r h ALA 39 Ca 0.12 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2z0r h ALA 39 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2z0r h ALA 39 CO -0.01 0.63 -0.31 0.93 0.00 0.00 0.00 179.25 180.49 2z0r h GLU 40 N 1.06 0.54 -0.52 0.00 5.08 -0.39 -0.60 114.58 119.77 2z0r h GLU 40 Ca 0.25 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2z0r h GLU 40 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2z0r h GLU 40 CO -0.02 0.79 -0.05 0.00 -1.00 0.00 0.00 179.01 178.74 2z0r h ALA 41 N 1.20 0.70 -0.26 3.43 0.00 0.18 -0.04 119.26 124.48 2z0r h ALA 41 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2z0r h ALA 41 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2z0r h ALA 41 CO 0.06 0.56 0.10 0.35 0.00 0.00 0.00 179.25 180.31 2z0r h PHE 42 N 0.81 0.40 -0.46 0.00 3.57 -0.83 -2.76 116.94 117.66 2z0r h PHE 42 Ca 0.14 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2z0r h PHE 42 Cb 0.59 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2z0r h PHE 42 CO 0.04 0.42 0.13 1.25 -2.23 0.00 0.00 178.31 177.92 2z0r h LEU 43 N 0.26 0.63 -2.27 0.59 5.85 -0.97 -1.84 115.31 117.57 2z0r h LEU 43 Ca 0.08 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2z0r h LEU 43 Cb 0.20 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2z0r h LEU 43 CO -0.01 0.62 -0.05 0.00 -0.34 0.00 0.00 178.44 178.67 2z0r h ALA 44 N 1.47 1.22 -0.51 1.25 0.00 -0.71 -1.53 119.26 120.45 2z0r h ALA 44 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2z0r h ALA 44 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2z0r h ALA 44 CO -0.01 0.06 0.00 0.72 0.00 0.00 0.00 179.25 180.02 2z0r n HIS 45 N -3.46 0.76 -3.12 0.00 8.25 -0.73 -4.60 115.22 112.32 2z0r n HIS 45 Ca -0.02 -0.53 -0.17 0.00 -0.26 0.00 0.00 57.72 56.74 2z0r n HIS 45 Cb 0.17 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 0.92 -0.34 -1.94 4.41 -0.00 -0.58 -5.08 115.22 112.61 2z0r n HIS 46 Ca 0.18 -3.54 -0.30 0.00 -0.00 0.00 0.00 57.72 54.07 2z0r n HIS 46 Cb 0.56 -0.11 0.17 0.00 -0.00 0.00 0.00 29.99 30.62 2z0r n HIS 46 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2z0r s PRO 47 N -1.90 0.82 -1.12 -0.41 0.04 -1.22 -4.45 135.00 126.75 2z0r s PRO 47 Ca 0.37 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2z0r s PRO 47 Cb 0.32 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 33.00 2z0r s PRO 47 CO -0.08 -2.30 0.00 0.72 0.04 0.00 0.00 177.00 175.38 2z0r n HIS 48 N -3.70 -0.00 0.04 0.56 8.25 -1.26 -4.86 115.22 114.26 2z0r n HIS 48 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 2z0r n HIS 48 Cb 0.60 -2.01 0.04 0.00 1.12 0.00 0.00 29.99 29.74 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 -1.20 1.95 -2.57 2.41 4.77 -1.26 -5.27 117.00 115.82 2z0r n LEU 49 Ca -0.11 -1.56 -0.04 0.00 -0.03 0.00 0.00 56.01 54.27 2z0r n LEU 49 Cb 0.35 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2z0r n LEU 49 CO 0.16 0.47 0.11 0.61 -1.33 0.00 0.00 177.39 177.40 2z0r n GLY 50 N 0.07 -1.12 0.00 -0.72 0.00 -1.26 -4.89 105.19 97.26 2z0r n GLY 50 Ca 0.04 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.72 0.00 -2.71 1.61 1.85 -0.86 -4.12 116.66 111.71 2z0r n ARG 52 Ca 0.06 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.51 2z0r n ARG 52 Cb 0.39 0.00 -0.06 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 -2.00 4.07 -0.05 8.89 1.01 -1.26 -2.16 120.40 128.90 2z0r s VAL 53 Ca 0.00 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.01 2z0r s VAL 53 Cb 0.00 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2z0r s VAL 53 CO 0.00 0.45 -0.06 -0.55 0.00 0.00 0.00 175.10 174.94 2z0r s SER 54 N -0.93 1.18 -0.06 3.32 0.15 0.17 -4.97 113.70 112.57 2z0r s SER 54 Ca 0.43 -0.17 -0.20 0.00 0.70 0.00 0.00 55.95 56.70 2z0r s SER 54 Cb -0.26 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 2z0r s SER 54 CO 0.33 -0.04 0.58 0.00 1.20 0.00 0.00 173.24 175.31 2z0r s ALA 55 N 0.92 3.44 -0.50 5.45 0.00 -1.26 -1.31 121.76 128.50 2z0r s ALA 55 Ca -0.11 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2z0r s ALA 55 Cb -0.15 -2.76 0.13 0.00 0.00 0.00 0.00 23.12 20.34 2z0r s ALA 55 CO 0.00 0.04 0.26 -0.51 0.00 0.00 0.00 175.76 175.55 2z0r s LEU 56 N 0.34 3.92 0.02 0.00 1.43 0.29 -4.97 118.68 119.72 2z0r s LEU 56 Ca 0.31 -2.93 0.03 0.00 -1.03 0.00 0.00 54.13 50.51 2z0r s LEU 56 Cb -0.17 -1.49 -0.25 0.00 0.03 0.00 0.00 46.19 44.31 2z0r s LEU 56 CO 0.15 -0.24 0.93 1.05 0.23 0.00 0.00 176.35 178.47 2z0r h GLU 57 N 6.54 0.13 -7.11 1.70 9.09 -1.93 -2.22 114.58 120.77 2z0r h GLU 57 Ca -0.06 -0.22 -0.50 0.00 0.05 0.00 0.00 59.36 58.63 2z0r h GLU 57 Cb 0.90 0.08 0.05 0.00 -1.65 0.00 0.00 28.75 28.13 2z0r h GLU 57 CO 0.64 0.95 0.23 -1.54 0.05 0.00 0.00 179.01 179.34 2z0r s SER 58 N -6.72 6.19 0.24 3.06 1.04 -1.26 -4.75 113.70 111.50 2z0r s SER 58 Ca -0.05 1.10 0.05 0.00 0.48 0.00 0.00 55.95 57.52 2z0r s SER 58 Cb 0.08 -2.29 0.25 0.00 0.10 0.00 0.00 66.02 64.16 2z0r s SER 58 CO 0.84 -0.73 1.56 0.03 0.98 0.00 0.00 173.24 175.91 2z0r h ARG 59 N -0.02 0.23 0.14 4.02 -0.00 -1.99 -1.84 114.38 114.92 2z0r h ARG 59 Ca -0.46 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.98 58.86 2z0r h ARG 59 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.20 2z0r h ARG 59 CO 0.62 0.77 -0.07 0.00 0.00 0.00 0.00 179.97 181.29 2z0r h ALA 60 N 1.20 -0.19 -0.06 0.04 0.00 -1.98 0.21 119.26 118.49 2z0r h ALA 60 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2z0r h ALA 60 Cb 1.12 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2z0r h ALA 60 CO 0.09 -0.59 0.03 -0.07 0.00 0.00 0.00 179.25 178.72 2z0r h LEU 61 N -0.21 0.07 -0.78 0.00 3.38 -1.92 0.26 115.31 116.10 2z0r h LEU 61 Ca -0.02 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2z0r h LEU 61 Cb 0.17 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2z0r h LEU 61 CO 0.03 0.08 0.46 0.11 0.09 0.00 0.00 178.44 179.21 2z0r h LYS 62 N 0.04 0.81 -0.24 1.13 1.57 -1.22 -0.16 116.57 118.50 2z0r h LYS 62 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2z0r h LYS 62 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2z0r h LYS 62 CO -0.00 0.53 0.05 1.49 -0.57 0.00 0.00 179.45 180.95 2z0r h GLU 63 N 0.83 0.40 -0.83 3.15 4.81 -0.07 -1.36 114.58 121.50 2z0r h GLU 63 Ca 0.35 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2z0r h GLU 63 Cb 0.21 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2z0r h GLU 63 CO -0.19 0.52 0.55 0.00 -0.73 0.00 0.00 179.01 179.15 2z0r h ALA 64 N 0.86 1.49 0.14 2.92 0.00 0.05 0.27 119.26 124.98 2z0r h ALA 64 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2z0r h ALA 64 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2z0r h ALA 64 CO 0.00 0.43 -0.06 -0.92 0.00 0.00 0.00 179.25 178.70 2z0r h TYR 65 N 1.03 -0.17 -0.72 0.00 3.20 -0.77 -2.06 116.97 117.48 2z0r h TYR 65 Ca 0.33 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2z0r h TYR 65 Cb 0.03 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2z0r h TYR 65 CO -0.00 -0.02 0.39 -0.07 -1.64 0.00 0.00 178.16 176.82 2z0r h LEU 66 N -0.29 0.90 -1.32 2.82 3.38 -0.51 -2.01 115.31 118.28 2z0r h LEU 66 Ca -0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2z0r h LEU 66 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2z0r h LEU 66 CO 0.03 0.73 -0.33 0.03 0.09 0.00 0.00 178.44 178.99 2z0r h ARG 67 N 1.01 0.00 -0.19 1.13 3.08 -0.84 -0.29 114.38 118.28 2z0r h ARG 67 Ca 0.26 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 2z0r h ARG 67 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2z0r h ARG 67 CO -0.04 0.33 -0.65 0.00 -1.07 0.00 0.00 179.97 178.54 2z0r h ALA 68 N 1.67 0.49 -0.24 0.04 0.00 -0.68 -3.13 119.26 117.41 2z0r h ALA 68 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2z0r h ALA 68 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2z0r h ALA 68 CO 0.04 0.70 0.05 -0.07 0.00 0.00 0.00 179.25 179.97 2z0r h LEU 69 N 0.51 0.37 -2.00 0.00 3.38 -0.80 -2.67 115.31 114.10 2z0r h LEU 69 Ca -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2z0r h LEU 69 Cb 1.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2z0r h LEU 69 CO 0.13 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2z0r n GLY 70 N -0.50 0.00 0.00 0.83 0.00 -0.17 -1.28 105.19 104.06 2z0r n GLY 70 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.86 0.00 -2.58 0.99 4.77 -1.01 -4.40 117.00 115.63 2z0r n LEU 72 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 2z0r n LEU 72 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2z0r n LEU 72 CO 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 175.87 2z0r n GLN 73 N 0.00 -2.56 -3.33 3.23 1.13 -0.92 -4.96 117.38 109.98 2z0r n GLN 73 Ca 0.00 0.95 -0.42 0.00 -1.94 0.00 0.00 57.00 55.59 2z0r n GLN 73 Cb 0.00 -5.67 -0.09 0.00 0.11 0.00 0.00 30.24 24.60 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 -3.05 5.09 -0.84 5.09 1.01 -0.40 -4.69 120.40 122.61 2z0r s VAL 74 Ca 0.08 -0.01 0.22 0.00 0.00 0.00 0.00 61.98 62.27 2z0r s VAL 74 Cb -0.04 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.21 2z0r s VAL 74 CO 0.10 -0.25 0.94 -0.62 0.00 0.00 0.00 175.10 175.28 2z0r n GLU 75 N 5.57 0.11 -3.88 2.72 1.02 -1.24 -4.10 120.64 120.84 2z0r n GLU 75 Ca -0.07 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 56.95 2z0r n GLU 75 Cb 0.49 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 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 -3.08 -0.21 0.00 0.62 0.00 -1.26 -0.01 121.76 117.83 2z0r s ALA 76 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2z0r s ALA 76 Cb 0.16 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2z0r s ALA 76 CO 0.84 -0.58 0.00 1.33 0.00 0.00 0.00 175.76 177.35 2z0r n VAL 77 N -0.14 0.00 -3.66 0.00 0.24 -0.44 -2.87 118.33 111.46 2z0r n VAL 77 Ca -0.12 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 2z0r n VAL 77 Cb 0.63 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 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 3.45 -0.44 -1.12 3.34 1.01 0.58 -0.41 120.40 126.80 2z0r s VAL 79 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2z0r s VAL 79 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2z0r s VAL 79 CO 0.00 0.03 0.76 0.47 0.00 0.00 0.00 175.10 176.36 2z0r n ASP 80 N 4.90 -5.18 -4.71 3.32 8.00 -0.00 -4.02 116.55 118.87 2z0r n ASP 80 Ca -0.15 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 2z0r n ASP 80 Cb 0.53 -3.03 -0.03 0.00 -0.02 0.00 0.00 41.12 38.57 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 -3.44 3.18 -0.26 1.24 5.04 -1.26 -4.84 117.35 117.02 2z0r s TYR 81 Ca 0.44 1.03 -0.15 0.00 -2.44 0.00 0.00 57.07 55.95 2z0r s TYR 81 Cb -0.18 -3.59 -0.04 0.00 0.35 0.00 0.00 41.96 38.51 2z0r s TYR 81 CO 0.88 -2.02 0.37 1.03 -1.34 0.00 0.00 175.55 174.47 2z0r s ARG 82 N 1.53 4.05 -0.29 4.97 1.81 -1.26 -4.88 118.95 124.88 2z0r s ARG 82 Ca 0.62 0.06 -0.39 0.00 -1.72 0.00 0.00 55.73 54.30 2z0r s ARG 82 Cb -0.32 -3.63 -0.15 0.00 -0.45 0.00 0.00 34.95 30.40 2z0r s ARG 82 CO 0.28 -0.23 1.85 -2.30 -0.68 0.00 0.00 175.30 174.23 2z0r n PRO 83 N 5.16 1.17 -0.52 3.54 -0.02 -1.26 -0.71 135.00 142.36 2z0r n PRO 83 Ca -0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2z0r n PRO 83 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2z0r n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2z0r n GLY 84 N 4.77 0.74 3.84 -1.23 0.00 -1.26 -5.06 105.19 106.99 2z0r n GLY 84 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.10 4.59 0.13 2.61 2.01 0.11 -4.99 115.64 117.99 2z0r s THR 85 Ca 0.00 1.14 0.08 0.00 0.31 0.00 0.00 61.69 63.22 2z0r s THR 85 Cb 0.00 -3.66 -0.16 0.00 0.01 0.00 0.00 72.50 68.69 2z0r s THR 85 CO 0.00 -0.14 1.35 0.45 -0.69 0.00 0.00 174.62 175.60 2z0r h HIS 86 N 2.40 0.00 -2.78 4.92 3.86 -1.97 -3.46 115.15 118.12 2z0r h HIS 86 Ca -0.48 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.57 2z0r h HIS 86 Cb 1.18 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.36 2z0r h HIS 86 CO 0.62 0.89 -0.41 0.50 0.86 0.00 0.00 177.93 180.39 2z0r s ARG 87 N -2.89 0.27 0.27 2.45 3.52 -1.26 -5.16 118.95 116.16 2z0r s ARG 87 Ca 0.01 0.74 0.10 0.00 -0.13 0.00 0.00 55.73 56.45 2z0r s ARG 87 Cb 0.10 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.44 2z0r s ARG 87 CO 0.80 -0.20 -0.16 0.00 -0.81 0.00 0.00 175.30 174.93 2z0r s ALA 88 N 1.76 2.60 0.32 6.12 0.00 -1.26 -4.97 121.76 126.34 2z0r s ALA 88 Ca -0.06 -1.87 -0.28 0.00 0.00 0.00 0.00 51.96 49.75 2z0r s ALA 88 Cb -0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 2z0r s ALA 88 CO -0.11 0.18 1.15 -0.65 0.00 0.00 0.00 175.76 176.33 2z0r s GLN 89 N -3.57 4.43 -0.12 0.00 -0.21 -1.26 -4.91 119.66 114.02 2z0r s GLN 89 Ca 0.29 1.86 0.02 0.00 0.02 0.00 0.00 55.36 57.54 2z0r s GLN 89 Cb -0.02 -3.00 -0.00 0.00 1.00 0.00 0.00 33.01 30.98 2z0r s GLN 89 CO 0.13 0.00 -0.18 0.08 -2.12 0.00 0.00 175.29 173.21 2z0r s VAL 90 N -1.26 2.54 -0.15 1.09 1.01 -1.26 -0.31 120.40 122.06 2z0r s VAL 90 Ca 0.49 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2z0r s VAL 90 Cb -0.32 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2z0r s VAL 90 CO 0.41 0.54 -0.19 0.00 0.00 0.00 0.00 175.10 175.86 2z0r s ALA 91 N 0.47 2.34 0.34 5.51 0.00 0.45 -4.93 121.76 125.94 2z0r s ALA 91 Ca -0.12 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 2z0r s ALA 91 Cb -0.17 -1.11 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 2z0r s ALA 91 CO 0.05 -0.10 1.54 1.03 0.00 0.00 0.00 175.76 178.29 2z0r s ARG 92 N 0.92 4.11 0.40 0.00 0.52 -1.26 -1.33 118.95 122.31 2z0r s ARG 92 Ca -0.04 2.58 0.06 0.00 -0.52 0.00 0.00 55.73 57.81 2z0r s ARG 92 Cb -0.15 -2.99 0.82 0.00 0.52 0.00 0.00 34.95 33.15 2z0r s ARG 92 CO -0.03 -0.58 2.05 0.28 0.02 0.00 0.00 175.30 177.03 2z0r h VAL 93 N 3.17 1.12 -0.30 3.52 2.07 -0.75 -2.13 116.25 122.95 2z0r h VAL 93 Ca -0.49 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 66.64 2z0r h VAL 93 Cb 1.23 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2z0r h VAL 93 CO 0.71 0.11 -0.46 0.07 0.02 0.00 0.00 177.57 178.03 2z0r h LYS 94 N 0.59 0.78 -0.68 1.57 2.10 -1.90 -0.48 116.57 118.54 2z0r h LYS 94 Ca 0.16 -0.44 -0.02 0.00 -2.00 0.00 0.00 60.65 58.35 2z0r h LYS 94 Cb -0.05 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.28 2z0r h LYS 94 CO -0.03 1.07 0.36 -0.44 -2.00 0.00 0.00 179.45 178.41 2z0r h ASP 95 N 0.62 0.87 -0.44 7.07 5.19 -1.83 -1.50 116.42 126.40 2z0r h ASP 95 Ca 0.04 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 2z0r h ASP 95 Cb 1.03 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 2z0r h ASP 95 CO 0.10 0.73 -0.24 -0.07 -3.12 0.00 0.00 179.24 176.64 2z0r h LEU 96 N 0.94 0.98 0.00 1.55 3.38 -1.28 -1.89 115.31 119.00 2z0r h LEU 96 Ca 0.24 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2z0r h LEU 96 Cb 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2z0r h LEU 96 CO -0.04 1.17 0.00 -0.11 0.09 0.00 0.00 178.44 179.55 2z0r n LEU 97 N -4.10 0.00 -0.01 1.67 0.00 -0.20 -2.34 117.00 112.01 2z0r n LEU 97 Ca -0.00 0.32 -0.22 0.00 0.00 0.00 0.00 56.01 56.11 2z0r n LEU 97 Cb 0.47 -0.32 -0.13 0.00 0.00 0.00 0.00 43.42 43.43 2z0r n LEU 97 CO 0.47 -0.13 -0.55 -0.08 0.00 0.00 0.00 177.39 177.09 2z0r h GLU 98 N 0.00 0.21 0.08 1.96 4.81 -0.48 -2.99 114.58 118.16 2z0r h GLU 98 Ca 0.00 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2z0r h GLU 98 Cb 0.19 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2z0r h GLU 98 CO 0.00 1.17 -0.13 0.93 -0.73 0.00 0.00 179.01 180.25 2z0r h GLU 99 N -0.32 -0.22 0.00 1.92 5.08 -1.06 -3.32 114.58 116.66 2z0r h GLU 99 Ca -0.35 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2z0r h GLU 99 Cb 1.76 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2z0r h GLU 99 CO 0.02 -0.15 0.00 0.28 -1.00 0.00 0.00 179.01 178.16 2z0r n VAL 100 N -3.15 0.00 0.30 3.13 0.31 -1.14 -5.13 118.33 112.65 2z0r n VAL 100 Ca -0.03 0.75 0.02 0.00 -0.01 0.00 0.00 64.34 65.08 2z0r n VAL 100 Cb 0.11 -1.51 0.14 0.00 -0.91 0.00 0.00 33.84 31.68 2z0r n VAL 100 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37