#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uez s SER 2 N 0.00 4.43 0.18 1.61 1.04 -1.26 -5.07 113.70 114.62 1uez s SER 2 Ca 0.00 -2.19 -0.24 0.00 0.48 0.00 0.00 55.95 54.00 1uez s SER 2 Cb 0.00 -1.39 0.05 0.00 0.10 0.00 0.00 66.02 64.78 1uez s SER 2 CO 0.00 -0.36 0.84 -0.44 0.98 0.00 0.00 173.24 174.27 1uez s SER 3 N 0.87 -0.26 0.00 7.02 0.01 -1.26 -5.19 113.70 114.89 1uez s SER 3 Ca 0.12 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1uez s SER 3 Cb -0.20 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1uez s SER 3 CO -0.10 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.14 1uez n GLY 4 N -0.44 4.93 3.21 3.44 0.00 -1.26 -5.18 105.19 109.90 1uez n GLY 4 Ca -0.07 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1uez n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uez s SER 5 N -0.28 -0.24 0.12 1.61 1.04 -1.26 -5.17 113.70 109.52 1uez s SER 5 Ca 0.00 0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.79 1uez s SER 5 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1uez s SER 5 CO 0.00 -0.28 0.16 -0.44 0.98 0.00 0.00 173.24 173.66 1uez s SER 6 N -0.62 5.85 0.00 7.02 0.01 -1.26 -4.96 113.70 119.74 1uez s SER 6 Ca -0.07 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1uez s SER 6 Cb -0.04 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1uez s SER 6 CO 0.02 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1uez n GLY 7 N -0.04 -2.65 3.35 3.44 0.00 -1.26 -5.00 105.19 103.02 1uez n GLY 7 Ca -0.07 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1uez n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uez s GLU 8 N -3.17 0.46 -0.04 1.61 2.56 -1.11 -5.02 118.70 113.98 1uez s GLU 8 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 54.97 55.57 1uez s GLU 8 Cb 0.00 0.03 -0.03 0.00 2.00 0.00 0.00 34.13 36.13 1uez s GLU 8 CO 0.00 -0.16 1.13 0.08 -0.56 0.00 0.00 175.26 175.75 1uez s VAL 9 N 1.52 4.41 0.47 3.70 1.01 -1.26 -1.92 120.40 128.33 1uez s VAL 9 Ca -0.09 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.66 1uez s VAL 9 Cb -0.08 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1uez s VAL 9 CO -0.14 0.04 0.65 0.00 0.00 0.00 0.00 175.10 175.65 1uez s ARG 10 N 1.86 2.72 -0.32 2.72 1.70 -0.11 -4.92 118.95 122.60 1uez s ARG 10 Ca 0.54 -1.03 0.02 0.00 -0.47 0.00 0.00 55.73 54.79 1uez s ARG 10 Cb -0.23 -2.65 0.09 0.00 -0.57 0.00 0.00 34.95 31.59 1uez s ARG 10 CO 0.23 -0.44 0.05 -0.51 -1.08 0.00 0.00 175.30 173.55 1uez s LEU 11 N -4.52 3.58 0.03 -1.89 1.43 -1.26 -3.12 118.68 112.92 1uez s LEU 11 Ca 0.55 -1.85 -0.09 0.00 -1.03 0.00 0.00 54.13 51.71 1uez s LEU 11 Cb -0.10 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1uez s LEU 11 CO 0.35 -0.37 0.34 -0.69 0.23 0.00 0.00 176.35 176.21 1uez s VAL 12 N 1.22 5.18 -0.12 -1.59 1.01 -0.25 -4.90 120.40 120.95 1uez s VAL 12 Ca 0.08 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 1uez s VAL 12 Cb -0.18 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1uez s VAL 12 CO -0.14 0.39 -0.08 -0.44 0.00 0.00 0.00 175.10 174.83 1uez s SER 13 N -1.56 2.32 -0.25 3.32 0.01 -1.26 0.19 113.70 116.47 1uez s SER 13 Ca 0.28 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1uez s SER 13 Cb -0.14 -0.89 0.04 0.00 0.21 0.00 0.00 66.02 65.24 1uez s SER 13 CO 0.15 -0.12 -0.10 -0.76 0.41 0.00 0.00 173.24 172.83 1uez s LEU 14 N 1.67 3.16 0.33 2.44 2.01 -1.17 -4.81 118.68 122.31 1uez s LEU 14 Ca 0.05 -1.05 0.06 0.00 0.01 0.00 0.00 54.13 53.20 1uez s LEU 14 Cb -0.13 -1.60 -0.01 0.00 0.01 0.00 0.00 46.19 44.46 1uez s LEU 14 CO -0.08 -0.14 0.47 -0.60 1.01 0.00 0.00 176.35 177.00 1uez s ARG 15 N 1.24 3.13 0.43 1.70 3.52 -1.26 -4.48 118.95 123.23 1uez s ARG 15 Ca -0.03 -0.99 0.08 0.00 -0.13 0.00 0.00 55.73 54.66 1uez s ARG 15 Cb -0.17 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1uez s ARG 15 CO -0.06 0.07 0.54 0.50 -0.81 0.00 0.00 175.30 175.54 1uez s ARG 16 N -4.17 2.70 0.00 5.12 6.06 -1.26 -4.79 118.95 122.61 1uez s ARG 16 Ca 0.45 -1.36 0.00 0.00 -2.50 0.00 0.00 55.73 52.31 1uez s ARG 16 Cb -0.10 -2.64 0.00 0.00 0.06 0.00 0.00 34.95 32.27 1uez s ARG 16 CO 0.31 -0.31 0.00 0.00 -2.50 0.00 0.00 175.30 172.80 1uez n ALA 17 N -1.81 0.00 -2.65 6.12 0.00 -1.26 -4.99 120.51 115.93 1uez n ALA 17 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 1uez n ALA 17 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 1uez n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uez n LYS 18 N 0.00 0.41 -3.61 0.00 4.81 -1.26 -5.08 118.16 113.43 1uez n LYS 18 Ca 0.00 -0.86 -0.38 0.00 -0.87 0.00 0.00 58.31 56.20 1uez n LYS 18 Cb 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 35.03 34.99 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uez s ALA 19 N 0.06 3.95 -0.99 3.14 0.00 -1.26 -5.00 121.76 121.66 1uez s ALA 19 Ca 0.07 -3.50 -0.26 0.00 0.00 0.00 0.00 51.96 48.26 1uez s ALA 19 Cb 0.14 -2.90 -0.17 0.00 0.00 0.00 0.00 23.12 20.18 1uez s ALA 19 CO -0.03 -2.16 2.18 -1.01 0.00 0.00 0.00 175.76 174.74 1uez s HIS 20 N -0.53 1.30 0.09 0.00 3.76 -1.26 -2.99 115.29 115.66 1uez s HIS 20 Ca 0.21 1.92 0.00 0.00 -0.15 0.00 0.00 55.06 57.05 1uez s HIS 20 Cb -0.14 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.08 1uez s HIS 20 CO -0.07 -1.07 0.00 0.39 -0.85 0.00 0.00 174.74 173.13 1uez n GLU 21 N 8.44 0.00 0.00 1.40 -0.58 -1.26 -5.11 120.64 123.52 1uez n GLU 21 Ca 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1uez n GLU 21 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uez n GLY 22 N -1.20 1.95 5.00 0.62 0.00 -1.16 -4.87 105.19 105.53 1uez n GLY 22 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1uez n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uez n LEU 23 N 0.00 0.00 0.00 0.99 4.77 -1.26 -3.20 117.00 118.29 1uez n LEU 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1uez n LEU 23 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uez n LEU 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1uez n GLY 24 N 0.00 0.52 2.97 -0.72 0.00 -1.26 -4.47 105.19 102.23 1uez n GLY 24 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1uez n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uez s PHE 25 N -0.52 0.91 0.06 1.61 -0.71 -1.20 -1.65 117.98 116.49 1uez s PHE 25 Ca 0.00 -0.25 -0.19 0.00 -1.04 0.00 0.00 56.93 55.45 1uez s PHE 25 Cb 0.00 -0.69 -0.07 0.00 -1.21 0.00 0.00 43.02 41.05 1uez s PHE 25 CO 0.00 -0.14 0.56 -1.12 -1.34 0.00 0.00 175.22 173.18 1uez s SER 26 N 0.44 7.04 0.24 1.98 0.01 0.12 -4.96 113.70 118.57 1uez s SER 26 Ca -0.07 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.51 1uez s SER 26 Cb -0.11 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1uez s SER 26 CO 0.01 0.27 0.04 0.27 0.41 0.00 0.00 173.24 174.24 1uez s ILE 27 N -1.06 3.74 0.22 1.44 -4.36 -1.26 -0.04 121.20 119.88 1uez s ILE 27 Ca 0.29 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 58.99 1uez s ILE 27 Cb -0.19 -2.97 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1uez s ILE 27 CO 0.19 -0.30 0.20 0.00 0.24 0.00 0.00 174.94 175.27 1uez s ARG 28 N -3.51 1.31 0.00 0.37 1.70 0.14 -4.76 118.95 114.20 1uez s ARG 28 Ca 0.31 -1.60 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1uez s ARG 28 Cb -0.08 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1uez s ARG 28 CO 0.21 -0.46 0.00 0.41 -1.08 0.00 0.00 175.30 174.38 1uez n GLY 29 N -0.32 -1.23 0.00 3.88 0.00 -1.26 -1.36 105.19 104.90 1uez n GLY 29 Ca 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1uez n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uez n GLY 30 N 0.00 4.31 0.49 -0.02 0.00 0.24 -4.19 105.19 106.01 1uez n GLY 30 Ca 0.00 -1.06 0.38 0.00 0.00 0.00 0.00 46.02 45.34 1uez n GLY 30 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uez h SER 31 N 0.00 0.22 -0.41 1.61 4.64 -0.08 0.34 113.55 119.88 1uez h SER 31 Ca 0.00 0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.51 1uez h SER 31 Cb 0.00 0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 62.11 1uez h SER 31 CO 0.00 -0.17 -0.43 -0.08 -0.87 0.00 0.00 176.83 175.29 1uez h GLU 32 N 0.08 -0.31 0.00 4.77 4.81 -1.83 0.60 114.58 122.69 1uez h GLU 32 Ca 0.82 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 60.05 1uez h GLU 32 Cb 2.65 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 32.10 1uez h GLU 32 CO -0.38 -0.21 -0.10 0.45 -0.73 0.00 0.00 179.01 178.04 1uez h HIS 33 N -0.32 0.00 0.00 0.92 3.86 -0.67 -3.46 115.15 115.48 1uez h HIS 33 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1uez h HIS 33 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1uez h HIS 33 CO -0.62 0.10 0.00 0.41 0.86 0.00 0.00 177.93 178.68 1uez n GLY 34 N -0.10 0.55 3.93 2.45 0.00 0.21 -5.05 105.19 107.18 1uez n GLY 34 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1uez n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uez s VAL 35 N -2.00 2.47 0.00 1.61 -7.23 -1.18 -4.87 120.40 109.20 1uez s VAL 35 Ca 0.00 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1uez s VAL 35 Cb 0.00 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1uez s VAL 35 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1uez n GLY 36 N -1.73 0.74 3.15 2.32 0.00 -1.26 -2.08 105.19 106.32 1uez n GLY 36 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1uez n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uez s ILE 37 N 1.44 1.14 0.03 -0.61 -1.09 -1.26 0.81 121.20 121.67 1uez s ILE 37 Ca 0.00 -0.99 -0.27 0.00 -2.23 0.00 0.00 60.65 57.17 1uez s ILE 37 Cb 0.00 -1.03 0.07 0.00 -1.58 0.00 0.00 42.46 39.92 1uez s ILE 37 CO 0.00 0.03 0.62 -0.31 -1.23 0.00 0.00 174.94 174.05 1uez s TYR 38 N -0.82 -0.57 0.19 3.97 1.51 -0.47 -3.08 117.35 118.09 1uez s TYR 38 Ca 0.02 0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 56.52 1uez s TYR 38 Cb -0.08 0.43 -0.08 0.00 -0.11 0.00 0.00 41.96 42.12 1uez s TYR 38 CO 0.01 -0.68 1.28 0.08 -1.11 0.00 0.00 175.55 175.13 1uez s VAL 39 N -2.21 3.34 -0.07 0.71 1.01 -1.16 0.24 120.40 122.25 1uez s VAL 39 Ca -0.06 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.09 1uez s VAL 39 Cb -0.01 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 1uez s VAL 39 CO 0.01 0.16 0.05 -1.54 0.00 0.00 0.00 175.10 173.78 1uez n SER 40 N 2.66 2.97 -3.72 3.32 3.41 0.94 -3.35 113.62 119.86 1uez n SER 40 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1uez n SER 40 Cb 0.43 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 65.06 1uez n SER 40 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1uez s LEU 41 N -4.50 0.28 -0.08 1.04 1.98 -1.13 -4.91 118.68 111.36 1uez s LEU 41 Ca -0.04 0.85 -0.02 0.00 -2.89 0.00 0.00 54.13 52.03 1uez s LEU 41 Cb 0.03 1.57 0.03 0.00 0.66 0.00 0.00 46.19 48.48 1uez s LEU 41 CO 0.34 -0.19 0.02 -0.69 -1.89 0.00 0.00 176.35 173.94 1uez s VAL 42 N 0.08 0.24 0.16 1.68 1.01 -1.26 0.13 120.40 122.45 1uez s VAL 42 Ca -0.01 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 1uez s VAL 42 Cb -0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 1uez s VAL 42 CO 0.01 0.18 1.39 -1.61 0.00 0.00 0.00 175.10 175.07 1uez s GLU 43 N 2.02 4.32 0.47 2.72 8.01 -0.66 -4.90 118.70 130.69 1uez s GLU 43 Ca 0.04 2.12 0.27 0.00 0.01 0.00 0.00 54.97 57.42 1uez s GLU 43 Cb -0.13 -3.20 0.81 0.00 -4.31 0.00 0.00 34.13 27.30 1uez s GLU 43 CO -0.05 -0.39 1.78 -1.00 0.01 0.00 0.00 175.26 175.60 1uez h PRO 44 N 6.13 0.00 -0.61 0.39 0.13 -1.99 -3.02 132.00 133.02 1uez h PRO 44 Ca -0.43 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1uez h PRO 44 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1uez h PRO 44 CO 0.83 0.06 0.20 0.41 -0.23 0.00 0.00 178.00 179.27 1uez n GLY 45 N 0.56 4.80 3.83 1.56 0.00 -1.26 -4.85 105.19 109.84 1uez n GLY 45 Ca 0.02 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1uez n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uez s SER 46 N -2.08 4.40 -0.11 1.61 1.04 -1.14 -5.07 113.70 112.35 1uez s SER 46 Ca 0.50 -1.41 -0.23 0.00 0.48 0.00 0.00 55.95 55.28 1uez s SER 46 Cb 0.44 0.41 -0.20 0.00 0.10 0.00 0.00 66.02 66.77 1uez s SER 46 CO 0.04 -0.96 0.72 0.25 0.98 0.00 0.00 173.24 174.27 1uez h LEU 47 N 1.05 -0.03 -0.96 2.42 5.85 -1.86 -3.18 115.31 118.61 1uez h LEU 47 Ca -0.40 -0.69 0.09 0.00 0.84 0.00 0.00 57.88 57.71 1uez h LEU 47 Cb 1.30 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.22 1uez h LEU 47 CO 0.65 0.77 -0.58 0.00 -0.34 0.00 0.00 178.44 178.94 1uez h ALA 48 N -0.14 -0.55 -0.84 1.25 0.00 -1.87 1.53 119.26 118.63 1uez h ALA 48 Ca -0.00 0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1uez h ALA 48 Cb 0.72 1.35 -0.12 0.00 0.00 0.00 0.00 17.79 19.74 1uez h ALA 48 CO 0.01 -0.97 0.29 1.49 0.00 0.00 0.00 179.25 180.07 1uez h GLU 49 N -0.03 0.31 0.00 0.00 4.22 -1.72 1.18 114.58 118.55 1uez h GLU 49 Ca 0.16 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.48 1uez h GLU 49 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1uez h GLU 49 CO -0.92 0.21 -0.48 0.87 -2.18 0.00 0.00 179.01 176.51 1uez h LYS 50 N 0.32 0.00 0.00 1.92 1.57 0.10 -2.20 116.57 118.29 1uez h LYS 50 Ca 0.51 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.26 1uez h LYS 50 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1uez h LYS 50 CO -0.55 0.48 -0.14 0.93 -0.57 0.00 0.00 179.45 179.60 1uez h GLU 51 N 0.00 0.00 0.00 3.15 4.39 1.05 -3.41 114.58 119.76 1uez h GLU 51 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uez h GLU 51 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1uez h GLU 51 CO 0.06 0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 1uez n GLY 52 N 0.22 0.82 3.14 -3.84 0.00 0.63 -4.91 105.19 101.26 1uez n GLY 52 Ca 0.01 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1uez n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uez n LEU 53 N 0.00 -4.62 -3.65 0.99 7.94 -0.76 -4.88 117.00 112.03 1uez n LEU 53 Ca 0.00 0.42 -0.02 0.00 -1.11 0.00 0.00 56.01 55.30 1uez n LEU 53 Cb 0.00 -0.82 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 1uez n LEU 53 CO 0.00 -5.33 1.19 -0.60 -1.11 0.00 0.00 177.39 171.55 1uez s ARG 54 N -1.56 0.03 -0.35 1.96 3.00 -1.26 -4.21 118.95 116.55 1uez s ARG 54 Ca 0.49 0.03 -0.43 0.00 -1.00 0.00 0.00 55.73 54.82 1uez s ARG 54 Cb -0.34 0.01 -0.17 0.00 0.00 0.00 0.00 34.95 34.45 1uez s ARG 54 CO 0.74 -0.00 1.67 0.28 0.00 0.00 0.00 175.30 177.98 1uez n VAL 55 N 1.42 0.18 0.00 7.11 0.31 -1.26 -1.85 118.33 124.24 1uez n VAL 55 Ca -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1uez n VAL 55 Cb 0.57 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1uez n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uez n GLY 56 N 4.02 3.99 3.07 2.92 0.00 -1.21 -5.03 105.19 112.95 1uez n GLY 56 Ca 0.28 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1uez n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uez n ASP 57 N 0.00 -2.77 -3.69 1.61 9.92 -0.77 -4.71 116.55 116.14 1uez n ASP 57 Ca 0.00 -0.25 -0.23 0.00 -0.53 0.00 0.00 54.79 53.78 1uez n ASP 57 Cb 0.00 -0.77 -0.17 0.00 -0.64 0.00 0.00 41.12 39.54 1uez n ASP 57 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1uez s GLN 58 N -3.20 0.26 -1.03 -1.24 0.74 -1.26 -3.01 119.66 110.93 1uez s GLN 58 Ca 0.40 0.07 -0.24 0.00 0.05 0.00 0.00 55.36 55.64 1uez s GLN 58 Cb -0.05 -1.20 -0.07 0.00 1.10 0.00 0.00 33.01 32.79 1uez s GLN 58 CO 0.45 -0.45 1.95 0.42 -0.55 0.00 0.00 175.29 177.11 1uez s ILE 59 N 2.06 3.49 0.13 -2.34 -1.09 -1.18 -2.85 121.20 119.42 1uez s ILE 59 Ca 0.03 -0.61 -0.15 0.00 -2.23 0.00 0.00 60.65 57.69 1uez s ILE 59 Cb -0.14 -4.25 -0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1uez s ILE 59 CO -0.06 -0.95 1.63 -0.07 -1.23 0.00 0.00 174.94 174.26 1uez h LEU 60 N 17.89 0.64 -8.69 2.97 3.38 0.18 -3.42 115.31 128.25 1uez h LEU 60 Ca 0.15 -0.23 -0.28 0.00 0.09 0.00 0.00 57.88 57.61 1uez h LEU 60 Cb 0.97 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 1uez h LEU 60 CO 1.21 0.70 -0.63 -0.13 0.09 0.00 0.00 178.44 179.69 1uez s ARG 61 N -5.30 1.23 -0.18 1.13 0.52 -1.04 -2.78 118.95 112.53 1uez s ARG 61 Ca -0.13 -1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 53.40 1uez s ARG 61 Cb 0.10 -0.00 0.08 0.00 0.52 0.00 0.00 34.95 35.65 1uez s ARG 61 CO 0.77 -0.30 0.17 0.54 0.02 0.00 0.00 175.30 176.50 1uez s VAL 62 N -3.93 -0.24 0.00 3.52 0.11 0.43 -1.23 120.40 119.06 1uez s VAL 62 Ca 0.34 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1uez s VAL 62 Cb 0.07 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1uez s VAL 62 CO 0.10 -0.19 0.00 -3.20 -3.33 0.00 0.00 175.10 168.48 1uez n ASN 63 N 5.31 0.00 0.00 3.54 2.85 0.18 -2.38 115.26 124.76 1uez n ASN 63 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1uez n ASN 63 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 1uez n ASN 63 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1uez n ASP 64 N 2.10 0.00 -4.77 1.20 8.00 -1.26 -4.65 116.55 117.18 1uez n ASP 64 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1uez n ASP 64 Cb 0.00 0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1uez n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1uez s LYS 65 N -1.62 3.97 -0.05 -1.24 -0.14 -1.00 -5.01 119.74 114.65 1uez s LYS 65 Ca 0.00 1.92 -0.09 0.00 -1.36 0.00 0.00 55.97 56.44 1uez s LYS 65 Cb 0.00 -2.65 -0.05 0.00 -1.68 0.00 0.00 37.83 33.46 1uez s LYS 65 CO 0.00 -0.42 0.24 -1.54 -0.76 0.00 0.00 175.35 172.87 1uez s SER 66 N -1.06 6.52 -0.67 2.83 1.04 -1.26 -0.43 113.70 120.67 1uez s SER 66 Ca 0.58 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 1uez s SER 66 Cb -0.32 -2.12 0.34 0.00 0.10 0.00 0.00 66.02 64.02 1uez s SER 66 CO 0.41 0.34 2.13 0.18 0.98 0.00 0.00 173.24 177.27 1uez n LEU 67 N 1.65 7.35 -0.27 2.42 4.77 -1.12 -4.73 117.00 127.08 1uez n LEU 67 Ca -0.16 -4.34 -0.10 0.00 -0.03 0.00 0.00 56.01 51.38 1uez n LEU 67 Cb 0.54 -1.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 1uez n LEU 67 CO 0.36 1.58 0.52 0.00 -1.33 0.00 0.00 177.39 178.51 1uez h ALA 68 N 2.42 -0.51 -1.40 -1.18 0.00 -1.91 -3.38 119.26 113.30 1uez h ALA 68 Ca 0.53 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.33 1uez h ALA 68 Cb 0.53 1.16 -0.24 0.00 0.00 0.00 0.00 17.79 19.24 1uez h ALA 68 CO 1.35 -0.93 -0.56 0.50 0.00 0.00 0.00 179.25 179.61 1uez s ARG 69 N -5.67 0.78 0.02 0.00 3.52 -1.26 -4.63 118.95 111.71 1uez s ARG 69 Ca -0.13 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1uez s ARG 69 Cb 0.11 -0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.21 1uez s ARG 69 CO 0.64 -1.21 -0.07 0.14 -0.81 0.00 0.00 175.30 173.99 1uez s VAL 70 N 1.54 0.47 0.85 7.11 -7.23 -1.26 -4.73 120.40 117.15 1uez s VAL 70 Ca 0.18 -0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 1uez s VAL 70 Cb -0.08 -0.49 0.04 0.00 0.56 0.00 0.00 36.38 36.41 1uez s VAL 70 CO -0.05 -0.17 0.71 0.35 -0.31 0.00 0.00 175.10 175.63 1uez n THR 71 N 2.11 1.05 -0.28 5.32 -2.24 -1.26 -0.30 114.28 118.67 1uez n THR 71 Ca -0.19 -0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1uez n THR 71 Cb 0.56 -0.84 0.36 0.00 -2.10 0.00 0.00 70.33 68.31 1uez n THR 71 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1uez h HIS 72 N -1.08 0.87 -0.59 4.78 2.76 -1.85 0.35 115.15 120.38 1uez h HIS 72 Ca -0.45 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.69 1uez h HIS 72 Cb 1.30 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 1uez h HIS 72 CO 0.41 0.31 0.13 0.00 -1.30 0.00 0.00 177.93 177.47 1uez h ALA 73 N 1.59 1.11 0.13 5.26 0.00 -1.92 -1.22 119.26 124.21 1uez h ALA 73 Ca 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1uez h ALA 73 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1uez h ALA 73 CO -0.22 0.59 -0.06 0.93 0.00 0.00 0.00 179.25 180.49 1uez h GLU 74 N 0.89 -0.17 -0.27 0.00 4.39 -0.73 0.27 114.58 118.95 1uez h GLU 74 Ca 0.19 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.97 1uez h GLU 74 Cb 0.35 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1uez h GLU 74 CO 0.00 0.17 -0.24 0.00 -1.16 0.00 0.00 179.01 177.78 1uez h ALA 75 N 0.28 -0.11 0.23 3.43 0.00 -0.73 0.72 119.26 123.09 1uez h ALA 75 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1uez h ALA 75 Cb 0.42 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1uez h ALA 75 CO 0.03 -0.66 -0.28 0.28 0.00 0.00 0.00 179.25 178.62 1uez h VAL 76 N -0.24 0.40 -0.13 0.00 2.07 -1.21 0.70 116.25 117.84 1uez h VAL 76 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1uez h VAL 76 Cb 0.46 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1uez h VAL 76 CO -0.41 0.00 0.25 0.11 0.02 0.00 0.00 177.57 177.54 1uez h LYS 77 N -0.56 0.00 0.13 1.57 1.57 -0.06 0.16 116.57 119.38 1uez h LYS 77 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 1uez h LYS 77 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1uez h LYS 77 CO -0.09 0.00 -1.01 0.00 -0.57 0.00 0.00 179.45 177.78 1uez h ALA 78 N 1.62 -0.01 -0.62 3.86 0.00 0.32 -3.33 119.26 121.11 1uez h ALA 78 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.20 1uez h ALA 78 Cb 0.56 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1uez h ALA 78 CO -0.00 0.52 0.33 -0.07 0.00 0.00 0.00 179.25 180.04 1uez h LEU 79 N -0.36 0.49 -0.93 0.00 3.38 0.30 -1.02 115.31 117.18 1uez h LEU 79 Ca -0.20 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.07 1uez h LEU 79 Cb 1.68 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 42.21 1uez h LEU 79 CO 0.12 0.33 0.29 0.11 0.09 0.00 0.00 178.44 179.37 1uez h LYS 80 N 0.63 0.17 0.00 1.13 1.79 -1.15 -3.45 116.57 115.70 1uez h LYS 80 Ca 0.27 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1uez h LYS 80 Cb 0.17 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1uez h LYS 80 CO -0.17 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 1uez n GLY 81 N -1.37 0.79 0.62 3.86 0.00 -0.39 -4.87 105.19 103.84 1uez n GLY 81 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1uez n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uez n SER 82 N -3.99 0.00 -2.53 1.61 2.88 -1.26 -5.08 113.62 105.25 1uez n SER 82 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uez n SER 82 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uez n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1uez n LYS 83 N -1.51 -0.24 -1.64 -1.46 5.02 -1.26 -4.83 118.16 112.23 1uez n LYS 83 Ca 0.00 0.00 -0.64 0.00 -2.02 0.00 0.00 58.31 55.65 1uez n LYS 83 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1uez n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1uez n LYS 84 N -1.01 0.01 -2.84 1.97 4.81 -1.26 -4.82 118.16 115.03 1uez n LYS 84 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1uez n LYS 84 Cb 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.51 1uez n LYS 84 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1uez s LEU 85 N 1.68 4.09 -0.52 3.14 2.96 -1.26 -4.86 118.68 123.92 1uez s LEU 85 Ca 0.99 -0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.40 1uez s LEU 85 Cb -1.40 -2.85 0.08 0.00 0.50 0.00 0.00 46.19 42.52 1uez s LEU 85 CO 0.71 -1.22 0.55 -0.69 -1.32 0.00 0.00 176.35 174.38 1uez s VAL 86 N 3.94 5.02 -0.12 1.68 1.01 -1.26 -3.06 120.40 127.62 1uez s VAL 86 Ca 0.31 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1uez s VAL 86 Cb -0.12 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1uez s VAL 86 CO 0.20 -0.81 1.09 -0.76 0.00 0.00 0.00 175.10 174.82 1uez s LEU 87 N 2.18 4.22 -0.52 3.92 2.01 0.51 0.50 118.68 131.49 1uez s LEU 87 Ca 0.09 1.59 -0.16 0.00 0.01 0.00 0.00 54.13 55.66 1uez s LEU 87 Cb -0.23 -3.55 0.12 0.00 0.01 0.00 0.00 46.19 42.53 1uez s LEU 87 CO 0.08 -0.55 0.47 -0.44 1.01 0.00 0.00 176.35 176.92 1uez s SER 88 N 1.29 6.16 0.19 2.29 0.01 -0.37 -1.08 113.70 122.20 1uez s SER 88 Ca 0.50 -1.71 0.10 0.00 1.31 0.00 0.00 55.95 56.15 1uez s SER 88 Cb -0.20 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1uez s SER 88 CO 0.16 -0.81 -0.14 0.68 0.41 0.00 0.00 173.24 173.53 1uez s VAL 89 N 1.60 2.88 -0.25 3.43 -7.23 -1.18 0.88 120.40 120.53 1uez s VAL 89 Ca 0.03 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1uez s VAL 89 Cb -0.29 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 1uez s VAL 89 CO 0.04 -0.14 0.03 -0.47 -0.31 0.00 0.00 175.10 174.24 1uez s TYR 90 N -1.77 3.05 0.40 2.82 5.04 -1.13 -0.93 117.35 124.82 1uez s TYR 90 Ca 0.24 -0.78 -0.03 0.00 -2.44 0.00 0.00 57.07 54.06 1uez s TYR 90 Cb -0.08 -2.19 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 1uez s TYR 90 CO 0.14 -0.49 0.66 0.45 -1.34 0.00 0.00 175.55 174.97 1uez s SER 91 N 1.53 6.32 -0.25 4.32 0.15 -0.81 -4.29 113.70 120.67 1uez s SER 91 Ca 0.05 0.74 -0.02 0.00 0.70 0.00 0.00 55.95 57.42 1uez s SER 91 Cb -0.15 -2.16 0.13 0.00 -1.71 0.00 0.00 66.02 62.13 1uez s SER 91 CO 0.00 -0.41 0.34 0.00 1.20 0.00 0.00 173.24 174.38 1uez s ALA 92 N -2.46 -0.88 0.00 5.45 0.00 -1.26 -2.76 121.76 119.84 1uez s ALA 92 Ca 0.44 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1uez s ALA 92 Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1uez s ALA 92 CO 0.39 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1uez n GLY 93 N 5.35 1.66 1.55 0.00 0.00 -1.26 -4.99 105.19 107.49 1uez n GLY 93 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1uez n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uez n ARG 94 N 0.00 -4.44 -0.00 1.61 0.63 -1.26 -4.92 116.66 108.27 1uez n ARG 94 Ca 0.00 3.30 -0.00 0.00 -0.92 0.00 0.00 57.85 60.22 1uez n ARG 94 Cb 0.00 -3.70 -0.00 0.00 0.45 0.00 0.00 32.46 29.21 1uez n ARG 94 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1uez n ILE 95 N -0.76 0.02 -3.96 5.15 3.06 -1.26 -5.08 119.36 116.53 1uez n ILE 95 Ca 0.00 -0.01 -0.09 0.00 -2.50 0.00 0.00 62.75 60.15 1uez n ILE 95 Cb 0.00 -1.20 -0.11 0.00 0.54 0.00 0.00 39.64 38.87 1uez n ILE 95 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1uez s SER 96 N -4.73 0.20 0.00 9.51 0.01 -1.26 -5.11 113.70 112.32 1uez s SER 96 Ca -0.01 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1uez s SER 96 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1uez s SER 96 CO 0.01 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1uez n GLY 97 N 1.75 1.32 3.79 3.44 0.00 -1.26 -5.14 105.19 109.09 1uez n GLY 97 Ca -0.23 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1uez n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uez s PRO 98 N 0.62 1.29 0.00 1.61 0.04 -1.26 -5.03 135.00 132.27 1uez s PRO 98 Ca 0.00 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1uez s PRO 98 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1uez s PRO 98 CO 0.00 -2.10 0.00 0.45 0.04 0.00 0.00 177.00 175.39 1uez n SER 99 N -3.71 0.00 -3.32 6.66 2.88 -1.26 -5.16 113.62 109.70 1uez n SER 99 Ca 0.07 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1uez n SER 99 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1uez n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uez s SER 100 N 0.00 -0.44 0.00 -3.46 0.15 -1.26 -5.23 113.70 103.46 1uez s SER 100 Ca 0.00 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1uez s SER 100 Cb 0.00 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 1uez s SER 100 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97