#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 -0.21 0.09 1.61 1.04 -1.26 -5.10 113.70 109.88 1uez s SER 2 Ca 0.00 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1uez s SER 2 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1uez s SER 2 CO 0.00 -1.16 0.00 -1.54 0.98 0.00 0.00 173.24 171.52 1uez n SER 3 N -0.52 0.96 -0.27 7.02 3.41 -1.26 -5.16 113.62 117.81 1uez n SER 3 Ca -0.05 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1uez n SER 3 Cb 0.60 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1uez n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uez n GLY 4 N 3.44 0.91 3.62 5.00 0.00 -1.26 -5.19 105.19 111.71 1uez n GLY 4 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 1uez n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uez s SER 5 N 1.20 -0.02 0.23 1.61 0.15 -1.26 -5.17 113.70 110.44 1uez s SER 5 Ca 0.00 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 1uez s SER 5 Cb 0.00 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1uez s SER 5 CO 0.00 -0.05 0.43 -0.55 1.20 0.00 0.00 173.24 174.27 1uez s SER 6 N -2.34 6.39 0.26 5.45 0.15 -1.26 -4.89 113.70 117.45 1uez s SER 6 Ca 0.13 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1uez s SER 6 Cb 0.02 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1uez s SER 6 CO -0.04 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1uez n GLY 7 N -0.82 -5.37 3.64 9.45 0.00 -1.26 -5.07 105.19 105.75 1uez n GLY 7 Ca -0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.92 0.70 0.06 1.61 2.56 -1.24 -5.00 118.70 116.47 1uez s GLU 8 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 54.97 55.91 1uez s GLU 8 Cb 0.00 0.19 -0.05 0.00 2.00 0.00 0.00 34.13 36.27 1uez s GLU 8 CO 0.00 -0.15 1.07 0.08 -0.56 0.00 0.00 175.26 175.69 1uez s VAL 9 N 1.73 4.41 0.41 3.70 1.01 -1.26 -1.46 120.40 128.94 1uez s VAL 9 Ca -0.10 1.80 0.08 0.00 0.00 0.00 0.00 61.98 63.76 1uez s VAL 9 Cb -0.05 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1uez s VAL 9 CO -0.20 0.18 0.48 0.00 0.00 0.00 0.00 175.10 175.56 1uez s ARG 10 N 0.73 2.71 -0.31 2.72 1.70 0.31 -4.90 118.95 121.90 1uez s ARG 10 Ca 0.53 -1.36 0.02 0.00 -0.47 0.00 0.00 55.73 54.46 1uez s ARG 10 Cb -0.25 -2.59 0.09 0.00 -0.57 0.00 0.00 34.95 31.63 1uez s ARG 10 CO 0.29 -0.22 0.04 -0.51 -1.08 0.00 0.00 175.30 173.82 1uez s LEU 11 N -4.24 3.84 -0.01 -1.89 1.43 -1.26 -2.98 118.68 113.57 1uez s LEU 11 Ca 0.51 -1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 51.63 1uez s LEU 11 Cb -0.07 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1uez s LEU 11 CO 0.31 -0.36 0.35 -0.69 0.23 0.00 0.00 176.35 176.20 1uez s VAL 12 N 1.13 5.13 -0.11 -1.59 1.01 -0.08 -4.90 120.40 121.00 1uez s VAL 12 Ca 0.07 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1uez s VAL 12 Cb -0.19 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1uez s VAL 12 CO -0.11 0.52 -0.09 -0.94 0.00 0.00 0.00 175.10 174.48 1uez s SER 13 N -1.22 2.18 -0.15 3.32 1.04 -1.26 0.20 113.70 117.81 1uez s SER 13 Ca 0.24 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1uez s SER 13 Cb -0.15 -0.88 -0.01 0.00 0.10 0.00 0.00 66.02 65.08 1uez s SER 13 CO 0.13 -0.09 -0.12 -0.76 0.98 0.00 0.00 173.24 173.38 1uez s LEU 14 N 1.53 2.75 0.65 2.42 2.01 -1.21 -4.85 118.68 121.97 1uez s LEU 14 Ca 0.02 -0.34 -0.07 0.00 0.01 0.00 0.00 54.13 53.75 1uez s LEU 14 Cb -0.13 -1.63 0.03 0.00 0.01 0.00 0.00 46.19 44.46 1uez s LEU 14 CO -0.07 0.13 0.97 0.00 1.01 0.00 0.00 176.35 178.40 1uez s ARG 15 N 0.54 2.66 0.73 1.70 1.70 -1.26 -4.44 118.95 120.58 1uez s ARG 15 Ca -0.08 -0.01 -0.16 0.00 -0.47 0.00 0.00 55.73 55.00 1uez s ARG 15 Cb -0.15 -2.20 -0.07 0.00 -0.57 0.00 0.00 34.95 31.96 1uez s ARG 15 CO 0.04 -0.94 0.26 -2.13 -1.08 0.00 0.00 175.30 171.45 1uez n ARG 16 N -2.77 0.19 0.16 3.89 0.63 -1.26 -4.85 116.66 112.65 1uez n ARG 16 Ca 0.06 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1uez n ARG 16 Cb 0.58 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.90 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uez n ALA 17 N -2.31 0.00 -0.04 5.13 0.00 -1.26 -4.96 120.51 117.06 1uez n ALA 17 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1uez n ALA 17 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.30 2.18 0.00 0.00 4.81 -1.11 -5.03 118.16 115.72 1uez n LYS 18 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1uez n LYS 18 Cb 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uez n ALA 19 N -2.29 0.00 -2.26 3.14 0.00 -1.26 -4.76 120.51 113.08 1uez n ALA 19 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 1uez n ALA 19 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.15 1uez n ALA 19 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1uez s HIS 20 N 0.00 2.22 -0.12 0.00 -3.43 -1.26 -4.44 115.29 108.25 1uez s HIS 20 Ca 0.00 -0.22 -0.06 0.00 -0.80 0.00 0.00 55.06 53.98 1uez s HIS 20 Cb 0.00 -4.29 0.02 0.00 -1.43 0.00 0.00 32.58 26.88 1uez s HIS 20 CO 0.00 -1.55 0.12 -1.91 -2.00 0.00 0.00 174.74 169.41 1uez n GLU 21 N 8.49 -3.07 0.00 -0.38 0.00 -1.26 -5.03 120.64 119.39 1uez n GLU 21 Ca 0.44 2.45 0.00 0.00 0.00 0.00 0.00 57.16 60.05 1uez n GLU 21 Cb 0.47 -3.36 0.00 0.00 0.00 0.00 0.00 31.44 28.55 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uez n GLY 22 N 1.87 -1.77 1.24 8.31 0.00 -1.26 -4.94 105.19 108.63 1uez n GLY 22 Ca -0.21 0.85 0.02 0.00 0.00 0.00 0.00 46.02 46.68 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 4.50 0.00 0.99 4.77 -1.26 -2.74 117.00 123.26 1uez n LEU 23 Ca 0.00 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1uez n LEU 23 Cb 0.00 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1uez n LEU 23 CO 0.00 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1uez n GLY 24 N -0.58 2.97 3.01 -0.72 0.00 -1.26 -4.51 105.19 104.10 1uez n GLY 24 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.01 1.29 0.51 1.61 -0.12 -1.26 0.14 117.98 118.14 1uez s PHE 25 Ca 0.00 -0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 56.41 1uez s PHE 25 Cb 0.00 -0.96 -0.00 0.00 -0.63 0.00 0.00 43.02 41.43 1uez s PHE 25 CO 0.00 -0.24 0.78 0.45 -0.05 0.00 0.00 175.22 176.16 1uez s SER 26 N 0.62 5.77 0.16 1.98 0.15 0.44 -4.85 113.70 117.96 1uez s SER 26 Ca -0.12 0.52 0.06 0.00 0.70 0.00 0.00 55.95 57.11 1uez s SER 26 Cb -0.15 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1uez s SER 26 CO 0.03 -0.84 -0.13 0.27 1.20 0.00 0.00 173.24 173.77 1uez s ILE 27 N -2.75 1.44 0.25 6.45 -4.36 -1.26 -2.14 121.20 118.82 1uez s ILE 27 Ca 0.50 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.81 1uez s ILE 27 Cb -0.10 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.75 1uez s ILE 27 CO 0.41 -0.60 0.35 0.00 0.24 0.00 0.00 174.94 175.35 1uez s ARG 28 N -3.41 1.50 0.00 0.37 1.70 0.92 -4.70 118.95 115.33 1uez s ARG 28 Ca 0.17 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 1uez s ARG 28 Cb -0.01 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1uez s ARG 28 CO 0.04 -0.58 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 1uez n GLY 29 N -0.39 -0.74 0.00 3.88 0.00 -1.26 -1.30 105.19 105.39 1uez n GLY 29 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 4.19 0.61 -0.02 0.00 0.33 -3.99 105.19 106.31 1uez n GLY 30 Ca 0.00 -1.14 0.41 0.00 0.00 0.00 0.00 46.02 45.29 1uez n GLY 30 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uez h SER 31 N 0.00 0.00 -0.05 1.61 0.87 0.21 0.19 113.55 116.38 1uez h SER 31 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1uez h SER 31 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1uez h SER 31 CO 0.00 0.00 -0.52 -0.08 -0.53 0.00 0.00 176.83 175.70 1uez h GLU 32 N 0.00 -0.61 0.00 2.24 4.81 -1.81 0.24 114.58 119.45 1uez h GLU 32 Ca 0.69 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 1uez h GLU 32 Cb 3.07 0.14 0.00 0.00 0.63 0.00 0.00 28.75 32.58 1uez h GLU 32 CO -0.01 -0.40 0.00 0.45 -0.73 0.00 0.00 179.01 178.32 1uez h HIS 33 N -0.63 0.00 0.00 0.92 3.86 -0.95 -3.45 115.15 114.89 1uez h HIS 33 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1uez h HIS 33 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1uez h HIS 33 CO -0.53 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.67 1uez n GLY 34 N -0.17 0.76 3.79 2.45 0.00 0.83 -5.06 105.19 107.79 1uez n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.20 0.00 1.61 -7.23 -1.17 -4.89 120.40 108.91 1uez s VAL 35 Ca 0.00 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1uez s VAL 35 Cb 0.00 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.13 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 -1.39 0.76 3.12 2.32 0.00 -1.26 -1.56 105.19 107.19 1uez n GLY 36 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 1.06 1.00 -0.01 -0.61 -1.09 -1.26 0.12 121.20 120.41 1uez s ILE 37 Ca 0.00 -0.94 -0.27 0.00 -2.23 0.00 0.00 60.65 57.22 1uez s ILE 37 Cb 0.00 -0.91 0.06 0.00 -1.58 0.00 0.00 42.46 40.03 1uez s ILE 37 CO 0.00 -0.02 0.60 -0.31 -1.23 0.00 0.00 174.94 173.98 1uez s TYR 38 N -0.83 -0.54 0.29 3.97 1.51 -0.42 -2.24 117.35 119.08 1uez s TYR 38 Ca 0.01 0.84 -0.30 0.00 -1.01 0.00 0.00 57.07 56.61 1uez s TYR 38 Cb -0.08 0.37 -0.11 0.00 -0.11 0.00 0.00 41.96 42.03 1uez s TYR 38 CO 0.01 -0.60 1.49 0.08 -1.11 0.00 0.00 175.55 175.41 1uez s VAL 39 N -1.61 2.39 -0.06 0.71 1.01 -1.12 -0.06 120.40 121.66 1uez s VAL 39 Ca -0.09 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1uez s VAL 39 Cb -0.01 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 1uez s VAL 39 CO 0.06 0.06 0.01 -1.54 0.00 0.00 0.00 175.10 173.69 1uez n SER 40 N 1.94 3.44 -3.82 3.32 3.41 -0.91 -2.87 113.62 118.13 1uez n SER 40 Ca 0.06 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 1uez n SER 40 Cb 0.39 0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.83 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 -4.55 1.24 -0.06 1.04 1.98 -1.25 -4.89 118.68 112.18 1uez s LEU 41 Ca -0.04 0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.20 1uez s LEU 41 Cb 0.02 0.90 0.03 0.00 0.66 0.00 0.00 46.19 47.80 1uez s LEU 41 CO 0.25 -0.35 0.01 -0.69 -1.89 0.00 0.00 176.35 173.69 1uez s VAL 42 N -1.10 0.27 0.29 1.68 1.01 -1.26 -0.42 120.40 120.86 1uez s VAL 42 Ca -0.12 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1uez s VAL 42 Cb -0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.78 1uez s VAL 42 CO 0.02 0.24 1.34 -1.61 0.00 0.00 0.00 175.10 175.09 1uez s GLU 43 N 1.98 4.34 0.71 2.72 0.41 0.36 -4.99 118.70 124.23 1uez s GLU 43 Ca 0.04 2.21 -0.11 0.00 -0.41 0.00 0.00 54.97 56.71 1uez s GLU 43 Cb -0.12 -3.10 0.02 0.00 -1.78 0.00 0.00 34.13 29.15 1uez s GLU 43 CO -0.05 -0.26 1.07 -1.25 -0.49 0.00 0.00 175.26 174.28 1uez s PRO 44 N -1.18 2.80 0.00 0.39 0.04 -1.26 -3.45 135.00 132.34 1uez s PRO 44 Ca 0.53 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1uez s PRO 44 Cb -0.40 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1uez s PRO 44 CO 0.48 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1uez n GLY 45 N -2.00 -0.44 4.02 0.56 0.00 -1.26 -4.85 105.19 101.22 1uez n GLY 45 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.80 5.17 0.00 1.61 1.04 -1.22 -5.01 113.70 113.49 1uez s SER 46 Ca 0.00 -0.80 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 1uez s SER 46 Cb 0.00 0.12 -0.18 0.00 0.10 0.00 0.00 66.02 66.06 1uez s SER 46 CO 0.00 -1.21 1.31 0.25 0.98 0.00 0.00 173.24 174.57 1uez h LEU 47 N 0.31 -0.10 -0.09 2.42 6.46 -1.88 -2.28 115.31 120.15 1uez h LEU 47 Ca -0.32 -0.33 0.01 0.00 -0.12 0.00 0.00 57.88 57.12 1uez h LEU 47 Cb 1.29 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1uez h LEU 47 CO 0.43 0.28 -0.08 0.00 -0.62 0.00 0.00 178.44 178.45 1uez h ALA 48 N 0.35 -0.28 -0.25 1.25 0.00 -1.89 1.32 119.26 119.76 1uez h ALA 48 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1uez h ALA 48 Cb 0.42 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1uez h ALA 48 CO 0.02 -0.33 0.51 1.49 0.00 0.00 0.00 179.25 180.94 1uez h GLU 49 N -0.04 0.00 0.08 0.00 4.57 -1.73 1.39 114.58 118.85 1uez h GLU 49 Ca 0.01 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.94 1uez h GLU 49 Cb 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1uez h GLU 49 CO -0.10 0.00 -1.15 -0.22 -1.18 0.00 0.00 179.01 176.36 1uez h LYS 50 N 0.00 0.17 0.00 1.92 3.64 0.18 -3.12 116.57 119.36 1uez h LYS 50 Ca 0.12 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1uez h LYS 50 Cb 1.14 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1uez h LYS 50 CO -0.00 1.13 0.00 0.39 -2.27 0.00 0.00 179.45 178.70 1uez n GLU 51 N -3.46 0.08 0.00 1.90 -0.58 0.46 -4.87 120.64 114.17 1uez n GLU 51 Ca -0.05 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1uez n GLU 51 Cb 0.99 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1uez n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uez n GLY 52 N 1.22 2.46 3.16 0.62 0.00 -0.39 -4.92 105.19 107.33 1uez n GLY 52 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.76 0.00 0.99 7.94 -0.83 -4.88 117.00 116.46 1uez n LEU 53 Ca 0.00 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1uez n LEU 53 Cb 0.00 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1uez n LEU 53 CO 0.00 -5.11 0.00 -2.11 -1.11 0.00 0.00 177.39 169.06 1uez n ARG 54 N 0.85 0.00 -1.86 1.96 0.00 -1.26 -4.20 116.66 112.15 1uez n ARG 54 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.44 1uez n ARG 54 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.98 1uez n ARG 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1uez s VAL 55 N -2.00 3.33 0.00 8.89 1.01 -1.26 -2.38 120.40 127.99 1uez s VAL 55 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1uez s VAL 55 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1uez s VAL 55 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1uez n GLY 56 N 4.48 1.21 2.99 4.51 0.00 -1.14 -5.00 105.19 112.25 1uez n GLY 56 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.84 -3.65 1.61 8.00 -1.00 -4.74 116.55 112.93 1uez n ASP 57 Ca 0.00 -0.73 -0.26 0.00 0.71 0.00 0.00 54.79 54.50 1uez n ASP 57 Cb 0.00 -0.89 -0.17 0.00 -0.02 0.00 0.00 41.12 40.04 1uez n ASP 57 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1uez s GLN 58 N -4.60 0.22 -1.14 -1.24 0.74 -1.26 -2.80 119.66 109.58 1uez s GLN 58 Ca 0.56 -0.17 -0.22 0.00 0.05 0.00 0.00 55.36 55.59 1uez s GLN 58 Cb -0.10 -1.89 -0.02 0.00 1.10 0.00 0.00 33.01 32.10 1uez s GLN 58 CO 0.47 -0.66 1.82 0.42 -0.55 0.00 0.00 175.29 176.80 1uez s ILE 59 N 2.06 3.73 0.05 -2.34 -1.09 -0.95 -2.92 121.20 119.75 1uez s ILE 59 Ca 0.01 -1.06 -0.34 0.00 -2.23 0.00 0.00 60.65 57.03 1uez s ILE 59 Cb -0.16 -4.69 -0.19 0.00 -1.58 0.00 0.00 42.46 35.83 1uez s ILE 59 CO -0.09 -1.38 1.51 -0.07 -1.23 0.00 0.00 174.94 173.68 1uez h LEU 60 N 15.76 -1.04 -9.67 2.97 3.38 -0.66 -3.41 115.31 122.64 1uez h LEU 60 Ca 0.25 0.04 -0.56 0.00 0.09 0.00 0.00 57.88 57.70 1uez h LEU 60 Cb 0.94 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1uez h LEU 60 CO 1.31 -0.74 -0.60 -0.13 0.09 0.00 0.00 178.44 178.37 1uez s ARG 61 N -5.68 2.30 -0.13 1.13 0.52 -1.18 -1.98 118.95 113.93 1uez s ARG 61 Ca -0.18 -1.52 -0.04 0.00 -0.52 0.00 0.00 55.73 53.47 1uez s ARG 61 Cb 0.02 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.41 1uez s ARG 61 CO 0.54 0.22 0.10 0.54 0.02 0.00 0.00 175.30 176.73 1uez s VAL 62 N -2.40 -0.14 0.00 3.52 0.11 0.68 -2.27 120.40 119.91 1uez s VAL 62 Ca 0.34 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1uez s VAL 62 Cb -0.04 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1uez s VAL 62 CO 0.21 -0.10 0.00 -3.20 -3.33 0.00 0.00 175.10 168.68 1uez n ASN 63 N 5.29 0.00 0.00 3.54 2.85 -1.15 -2.33 115.26 123.47 1uez n ASN 63 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 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 -0.67 -2.11 0.00 0.00 177.26 174.48 1uez n ASP 64 N 2.05 0.00 -4.75 1.20 -0.08 -1.26 -4.63 116.55 109.08 1uez n ASP 64 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 1uez n ASP 64 Cb 0.00 0.23 0.09 0.00 2.34 0.00 0.00 41.12 43.78 1uez n ASP 64 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1uez s LYS 65 N -1.53 2.23 -0.20 -0.67 1.02 -0.98 -5.01 119.74 114.60 1uez s LYS 65 Ca 0.00 1.39 -0.04 0.00 0.02 0.00 0.00 55.97 57.34 1uez s LYS 65 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1uez s LYS 65 CO 0.00 -1.69 -0.04 -1.54 -0.92 0.00 0.00 175.35 171.15 1uez s SER 66 N -2.82 4.43 -0.27 2.83 1.04 -1.26 -0.23 113.70 117.42 1uez s SER 66 Ca 0.66 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.72 1uez s SER 66 Cb -0.21 -1.75 -0.14 0.00 0.10 0.00 0.00 66.02 64.02 1uez s SER 66 CO 0.50 0.05 3.29 0.18 0.98 0.00 0.00 173.24 178.23 1uez n LEU 67 N 4.35 5.91 0.14 2.42 7.99 -0.84 -4.60 117.00 132.37 1uez n LEU 67 Ca -0.18 -3.58 -0.15 0.00 -0.01 0.00 0.00 56.01 52.09 1uez n LEU 67 Cb 0.51 -1.37 -0.08 0.00 -0.11 0.00 0.00 43.42 42.37 1uez n LEU 67 CO 0.30 1.74 0.56 0.00 -1.51 0.00 0.00 177.39 178.48 1uez h ALA 68 N 3.16 -0.87 -2.17 -1.18 0.00 -1.93 -3.38 119.26 112.90 1uez h ALA 68 Ca 0.31 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.59 1uez h ALA 68 Cb 1.16 0.76 -0.35 0.00 0.00 0.00 0.00 17.79 19.37 1uez h ALA 68 CO 0.56 -1.05 -0.91 1.03 0.00 0.00 0.00 179.25 178.88 1uez s ARG 69 N -5.87 0.92 0.06 0.00 0.52 -1.26 -4.64 118.95 108.68 1uez s ARG 69 Ca -0.17 -1.94 0.02 0.00 -0.52 0.00 0.00 55.73 53.12 1uez s ARG 69 Cb 0.07 -1.21 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 1uez s ARG 69 CO 0.62 -1.38 -0.07 0.14 0.02 0.00 0.00 175.30 174.63 1uez s VAL 70 N 0.20 0.58 1.39 3.52 -7.23 -1.26 -4.78 120.40 112.82 1uez s VAL 70 Ca 0.32 -1.43 -0.21 0.00 -1.81 0.00 0.00 61.98 58.86 1uez s VAL 70 Cb 0.03 -1.04 0.36 0.00 0.56 0.00 0.00 36.38 36.29 1uez s VAL 70 CO -0.17 -0.59 0.93 0.42 -0.31 0.00 0.00 175.10 175.37 1uez s THR 71 N -2.32 1.36 0.20 5.32 -4.23 -1.26 0.13 115.64 114.85 1uez s THR 71 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1uez s THR 71 Cb -0.04 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 1uez s THR 71 CO -0.02 0.00 1.52 -0.74 -0.54 0.00 0.00 174.62 174.84 1uez h HIS 72 N -3.36 0.57 -0.36 3.99 2.76 -1.87 -2.92 115.15 113.96 1uez h HIS 72 Ca -0.49 -0.21 -0.12 0.00 -2.20 0.00 0.00 60.37 57.36 1uez h HIS 72 Cb 1.35 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1uez h HIS 72 CO -2.49 0.92 -0.25 0.00 -1.30 0.00 0.00 177.93 174.80 1uez h ALA 73 N 1.04 0.87 0.57 5.26 0.00 -1.91 -2.24 119.26 122.86 1uez h ALA 73 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1uez h ALA 73 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1uez h ALA 73 CO 0.10 0.63 -0.48 0.93 0.00 0.00 0.00 179.25 180.43 1uez h GLU 74 N 0.64 -1.00 -0.81 0.00 4.39 -1.85 0.55 114.58 116.50 1uez h GLU 74 Ca 0.08 0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.98 1uez h GLU 74 Cb 0.76 0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 29.55 1uez h GLU 74 CO 0.06 -0.66 0.41 0.00 -1.16 0.00 0.00 179.01 177.66 1uez h ALA 75 N -0.87 1.18 0.85 3.43 0.00 -1.50 0.52 119.26 122.87 1uez h ALA 75 Ca -0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1uez h ALA 75 Cb 0.88 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1uez h ALA 75 CO -0.01 -0.07 -0.49 0.28 0.00 0.00 0.00 179.25 178.96 1uez h VAL 76 N 0.62 0.00 -0.02 0.00 2.07 -0.80 0.81 116.25 118.94 1uez h VAL 76 Ca 0.43 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.95 1uez h VAL 76 Cb 0.55 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1uez h VAL 76 CO -0.33 0.00 0.15 0.11 0.02 0.00 0.00 177.57 177.52 1uez h LYS 77 N -1.24 0.00 0.00 1.57 6.56 0.84 0.83 116.57 125.12 1uez h LYS 77 Ca -0.11 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.35 1uez h LYS 77 Cb 0.98 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 1uez h LYS 77 CO 0.14 0.00 -0.95 0.00 -2.06 0.00 0.00 179.45 176.58 1uez h ALA 78 N 1.73 0.66 0.30 3.86 0.00 0.15 -3.37 119.26 122.58 1uez h ALA 78 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1uez h ALA 78 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1uez h ALA 78 CO -0.00 0.69 -0.14 -0.07 0.00 0.00 0.00 179.25 179.72 1uez h LEU 79 N 0.00 -0.34-10.25 0.00 3.38 0.75 -3.43 115.31 105.42 1uez h LEU 79 Ca -0.08 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.49 1uez h LEU 79 Cb 1.43 0.09 0.19 0.00 0.09 0.00 0.00 40.66 42.47 1uez h LEU 79 CO 0.05 -0.01 0.06 -0.54 0.09 0.00 0.00 178.44 178.08 1uez s LYS 80 N -2.91 -1.24 -0.34 1.13 1.02 -0.71 -4.57 119.74 112.12 1uez s LYS 80 Ca -0.06 0.29 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 1uez s LYS 80 Cb 0.01 -1.56 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1uez s LYS 80 CO 0.18 -3.80 0.31 0.41 -0.92 0.00 0.00 175.35 171.53 1uez n GLY 81 N -0.07 -0.32 0.00 -3.33 0.00 -1.26 -4.90 105.19 95.31 1uez n GLY 81 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1uez n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uez n SER 82 N -1.69 0.00 0.00 1.61 7.64 -1.26 -5.08 113.62 114.84 1uez n SER 82 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1uez n SER 82 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1uez n SER 82 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1uez n LYS 83 N -0.30 0.00 -2.64 1.43 5.02 -1.26 -4.49 118.16 115.92 1uez n LYS 83 Ca 0.00 0.20 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 1uez n LYS 83 Cb 0.00 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1uez n LYS 83 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uez s LYS 84 N -1.07 3.21 -0.38 1.97 2.20 -1.26 -4.83 119.74 119.58 1uez s LYS 84 Ca 0.00 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 54.93 1uez s LYS 84 Cb 0.00 -4.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.02 1uez s LYS 84 CO 0.00 -2.06 0.53 -1.17 -0.36 0.00 0.00 175.35 172.28 1uez s LEU 85 N 5.19 4.47 -0.54 5.43 2.96 -1.26 -4.96 118.68 129.96 1uez s LEU 85 Ca 0.33 -0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 1uez s LEU 85 Cb -0.09 -2.58 0.11 0.00 0.50 0.00 0.00 46.19 44.13 1uez s LEU 85 CO 0.11 -0.56 0.55 -0.69 -1.32 0.00 0.00 176.35 174.44 1uez s VAL 86 N 2.43 5.09 -0.12 1.68 1.01 -1.26 -3.35 120.40 125.88 1uez s VAL 86 Ca 0.18 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 1uez s VAL 86 Cb -0.15 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 1uez s VAL 86 CO 0.15 -0.89 1.30 -0.76 0.00 0.00 0.00 175.10 174.90 1uez s LEU 87 N 1.97 4.22 -0.51 3.92 2.01 0.54 -2.92 118.68 127.92 1uez s LEU 87 Ca 0.06 1.81 -0.18 0.00 0.01 0.00 0.00 54.13 55.82 1uez s LEU 87 Cb -0.27 -3.54 0.07 0.00 0.01 0.00 0.00 46.19 42.46 1uez s LEU 87 CO 0.05 -0.74 0.59 -0.44 1.01 0.00 0.00 176.35 176.82 1uez s SER 88 N 2.03 6.20 0.09 2.29 0.01 -0.96 -0.90 113.70 122.46 1uez s SER 88 Ca 0.58 -1.07 0.09 0.00 1.31 0.00 0.00 55.95 56.87 1uez s SER 88 Cb -0.24 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1uez s SER 88 CO 0.18 -0.88 -0.23 0.68 0.41 0.00 0.00 173.24 173.40 1uez s VAL 89 N 2.44 2.44 -0.22 3.43 -7.23 -1.16 0.04 120.40 120.14 1uez s VAL 89 Ca 0.12 -1.52 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 1uez s VAL 89 Cb -0.21 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1uez s VAL 89 CO 0.10 0.20 0.12 -0.47 -0.31 0.00 0.00 175.10 174.74 1uez s TYR 90 N -0.99 3.28 0.22 2.82 5.04 -1.15 -0.53 117.35 126.04 1uez s TYR 90 Ca 0.14 0.12 -0.30 0.00 -2.44 0.00 0.00 57.07 54.60 1uez s TYR 90 Cb -0.10 -2.20 -0.09 0.00 0.35 0.00 0.00 41.96 39.92 1uez s TYR 90 CO 0.06 0.06 1.02 0.45 -1.34 0.00 0.00 175.55 175.80 1uez s SER 91 N 0.87 7.44 0.17 4.32 0.15 -0.54 -4.47 113.70 121.64 1uez s SER 91 Ca 0.06 2.06 -0.13 0.00 0.70 0.00 0.00 55.95 58.63 1uez s SER 91 Cb -0.13 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.58 1uez s SER 91 CO 0.03 -0.03 0.40 0.00 1.20 0.00 0.00 173.24 174.83 1uez s ALA 92 N -0.84 -0.53 -0.85 5.45 0.00 -1.26 -3.59 121.76 120.14 1uez s ALA 92 Ca 0.44 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1uez s ALA 92 Cb -0.28 0.81 0.23 0.00 0.00 0.00 0.00 23.12 23.88 1uez s ALA 92 CO 0.35 -0.71 0.82 0.41 0.00 0.00 0.00 175.76 176.63 1uez n GLY 93 N -0.26 4.34 0.37 0.00 0.00 -1.26 -4.88 105.19 103.50 1uez n GLY 93 Ca -0.10 -2.63 0.02 0.00 0.00 0.00 0.00 46.02 43.30 1uez n GLY 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uez h ARG 94 N 5.53 1.09 -4.68 1.61 9.65 -2.01 -3.43 114.38 122.14 1uez h ARG 94 Ca 0.17 -0.07 -0.26 0.00 -1.10 0.00 0.00 59.98 58.72 1uez h ARG 94 Cb 0.75 -0.25 -0.18 0.00 -1.39 0.00 0.00 29.97 28.91 1uez h ARG 94 CO 0.89 0.72 -0.72 -1.50 2.80 0.00 0.00 179.97 182.16 1uez s ILE 95 N -5.96 0.68 -0.18 1.20 2.07 -1.26 -5.14 121.20 112.61 1uez s ILE 95 Ca -0.12 -1.53 0.01 0.00 -1.41 0.00 0.00 60.65 57.61 1uez s ILE 95 Cb 0.19 -1.18 0.02 0.00 0.13 0.00 0.00 42.46 41.62 1uez s ILE 95 CO 0.80 -0.61 -0.20 -0.44 -1.91 0.00 0.00 174.94 172.58 1uez s SER 96 N -2.32 3.15 0.00 4.50 0.01 -1.26 -5.08 113.70 112.70 1uez s SER 96 Ca 0.02 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1uez s SER 96 Cb -0.03 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1uez s SER 96 CO -0.02 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1uez n GLY 97 N 4.54 -0.37 3.81 3.44 0.00 -1.26 -5.16 105.19 110.21 1uez n GLY 97 Ca -0.21 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 2.58 -0.34 1.61 0.04 -1.26 -5.01 135.00 130.62 1uez s PRO 98 Ca 0.00 0.82 0.04 0.00 0.04 0.00 0.00 61.00 61.89 1uez s PRO 98 Cb 0.00 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.75 1uez s PRO 98 CO 0.00 -1.32 1.16 0.45 0.04 0.00 0.00 177.00 177.33 1uez n SER 99 N -3.26 -1.36 -4.50 6.66 2.88 -1.26 -5.13 113.62 107.65 1uez n SER 99 Ca 0.07 -1.92 -0.55 0.00 -1.33 0.00 0.00 58.87 55.14 1uez n SER 99 Cb 0.55 1.06 -0.06 0.00 -0.75 0.00 0.00 64.21 65.00 1uez n SER 99 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uez n SER 100 N -0.39 0.04 0.00 -3.46 7.64 -1.26 -5.33 113.62 110.85 1uez n SER 100 Ca -0.19 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1uez n SER 100 Cb 0.71 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1uez n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64