#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 0.61 -0.01 1.61 0.01 -1.26 -5.14 113.70 109.52 1uez s SER 2 Ca 0.00 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.13 1uez s SER 2 Cb 0.00 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.22 1uez s SER 2 CO 0.00 -0.20 0.51 -0.55 0.41 0.00 0.00 173.24 173.41 1uez s SER 3 N 1.69 -0.43 0.36 2.44 0.15 -1.26 -5.18 113.70 111.47 1uez s SER 3 Ca -0.02 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1uez s SER 3 Cb -0.12 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1uez s SER 3 CO -0.03 -0.60 0.11 -0.83 1.20 0.00 0.00 173.24 173.09 1uez s GLY 4 N -1.50 2.30 -0.20 9.45 0.00 -1.26 -5.16 107.32 110.94 1uez s GLY 4 Ca -0.10 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 42.91 1uez s GLY 4 CO 0.04 -1.77 0.47 -0.45 0.00 0.00 0.00 173.10 171.39 1uez s SER 5 N -3.51 -0.58 0.04 1.64 0.15 -1.26 -5.04 113.70 105.13 1uez s SER 5 Ca 0.30 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1uez s SER 5 Cb 0.05 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1uez s SER 5 CO 0.15 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.14 1uez n SER 6 N 4.42 -0.33 0.00 5.45 2.88 -1.26 -5.16 113.62 119.61 1uez n SER 6 Ca -0.21 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1uez n SER 6 Cb 0.55 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 1uez n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uez n GLY 7 N -1.49 3.78 3.14 0.46 0.00 -1.26 -5.04 105.19 104.77 1uez n GLY 7 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1uez n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uez s GLU 8 N 3.87 0.56 -0.05 1.61 2.02 -1.24 -5.09 118.70 120.38 1uez s GLU 8 Ca 0.00 0.81 -0.30 0.00 0.02 0.00 0.00 54.97 55.50 1uez s GLU 8 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.60 1uez s GLU 8 CO 0.00 -0.79 1.26 0.08 0.02 0.00 0.00 175.26 175.84 1uez s VAL 9 N 2.84 4.10 0.42 2.63 1.01 -1.26 -3.09 120.40 127.05 1uez s VAL 9 Ca 0.17 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1uez s VAL 9 Cb -0.13 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1uez s VAL 9 CO -0.23 -0.01 0.61 0.00 0.00 0.00 0.00 175.10 175.47 1uez s ARG 10 N 2.40 3.07 -0.31 2.72 1.70 0.86 -4.96 118.95 124.44 1uez s ARG 10 Ca 0.58 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 55.22 1uez s ARG 10 Cb -0.26 -2.64 0.08 0.00 -0.57 0.00 0.00 34.95 31.56 1uez s ARG 10 CO 0.23 -0.18 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.75 1uez s LEU 11 N -4.44 4.10 0.08 -1.89 1.43 -1.26 -2.48 118.68 114.21 1uez s LEU 11 Ca 0.47 -1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 51.66 1uez s LEU 11 Cb -0.10 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 1uez s LEU 11 CO 0.36 -0.31 0.39 -0.69 0.23 0.00 0.00 176.35 176.33 1uez s VAL 12 N 1.02 5.12 -0.07 -1.59 1.01 0.11 -4.89 120.40 121.12 1uez s VAL 12 Ca 0.03 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1uez s VAL 12 Cb -0.19 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1uez s VAL 12 CO -0.07 0.28 -0.13 -0.55 0.00 0.00 0.00 175.10 174.62 1uez s SER 13 N -1.81 1.86 0.21 3.32 0.15 -1.26 0.20 113.70 116.36 1uez s SER 13 Ca 0.33 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.75 1uez s SER 13 Cb -0.14 -0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 63.28 1uez s SER 13 CO 0.18 0.05 -0.15 -0.76 1.20 0.00 0.00 173.24 173.76 1uez s LEU 14 N 0.61 2.56 0.50 3.45 2.01 -1.22 -4.72 118.68 121.87 1uez s LEU 14 Ca -0.14 -1.02 0.02 0.00 0.01 0.00 0.00 54.13 53.00 1uez s LEU 14 Cb -0.16 -0.69 0.02 0.00 0.01 0.00 0.00 46.19 45.37 1uez s LEU 14 CO 0.04 -0.16 0.71 -0.13 1.01 0.00 0.00 176.35 177.83 1uez s ARG 15 N -3.63 2.74 0.00 1.70 1.81 -1.26 -4.42 118.95 115.89 1uez s ARG 15 Ca 0.23 -0.75 0.09 0.00 -1.72 0.00 0.00 55.73 53.58 1uez s ARG 15 Cb -0.01 -2.55 0.16 0.00 -0.45 0.00 0.00 34.95 32.10 1uez s ARG 15 CO 0.07 -0.52 0.99 2.89 -0.68 0.00 0.00 175.30 178.05 1uez n ARG 16 N -2.20 1.47 -3.30 3.54 -4.01 -1.26 -3.76 116.66 107.15 1uez n ARG 16 Ca 0.06 -1.47 0.03 0.00 -1.04 0.00 0.00 57.85 55.42 1uez n ARG 16 Cb 0.59 -1.20 -0.04 0.00 -3.04 0.00 0.00 32.46 28.77 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1uez s ALA 17 N -0.88 -3.00 -0.32 2.89 0.00 -1.26 -4.97 121.76 114.22 1uez s ALA 17 Ca 0.15 1.92 0.03 0.00 0.00 0.00 0.00 51.96 54.06 1uez s ALA 17 Cb 0.09 -2.17 0.25 0.00 0.00 0.00 0.00 23.12 21.29 1uez s ALA 17 CO 0.13 -0.94 1.31 0.36 0.00 0.00 0.00 175.76 176.61 1uez n LYS 18 N 4.71 0.16 -3.78 0.00 2.85 -1.26 -4.97 118.16 115.86 1uez n LYS 18 Ca -0.08 -0.70 -0.24 0.00 -1.05 0.00 0.00 58.31 56.24 1uez n LYS 18 Cb 0.54 -0.11 0.01 0.00 -0.65 0.00 0.00 35.03 34.83 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1uez n ALA 19 N 0.20 -2.09 -3.40 0.58 0.00 -1.26 -4.96 120.51 109.58 1uez n ALA 19 Ca -0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1uez n ALA 19 Cb 0.73 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 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 -3.75 0.35 -0.03 0.00 -0.00 -1.26 -5.08 115.29 105.51 1uez s HIS 20 Ca 0.07 -0.78 -0.16 0.00 -0.00 0.00 0.00 55.06 54.18 1uez s HIS 20 Cb -0.02 0.39 -0.09 0.00 -0.00 0.00 0.00 32.58 32.86 1uez s HIS 20 CO 0.84 -1.22 0.68 0.93 -0.00 0.00 0.00 174.74 175.97 1uez h GLU 21 N 2.11 -0.57 0.00 -0.38 5.08 -1.99 -3.48 114.58 115.36 1uez h GLU 21 Ca -0.27 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1uez h GLU 21 Cb 1.25 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1uez h GLU 21 CO 0.35 -0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1uez n GLY 22 N 0.29 3.89 0.33 -3.84 0.00 -1.26 -4.98 105.19 99.61 1uez n GLY 22 Ca -0.07 -0.60 0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 0.34 0.00 0.99 4.77 -1.25 -4.72 117.00 117.13 1uez n LEU 23 Ca 0.00 1.63 0.00 0.00 -0.03 0.00 0.00 56.01 57.61 1uez n LEU 23 Cb 0.00 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1uez n LEU 23 CO 0.00 -1.82 0.00 0.61 -1.33 0.00 0.00 177.39 174.85 1uez n GLY 24 N -1.28 0.89 2.83 -0.72 0.00 -1.26 -4.43 105.19 101.22 1uez n GLY 24 Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 0.13 0.15 1.61 -0.71 -1.26 -1.71 117.98 114.19 1uez s PHE 25 Ca 0.00 0.04 -0.13 0.00 -1.04 0.00 0.00 56.93 55.80 1uez s PHE 25 Cb 0.00 -0.21 -0.07 0.00 -1.21 0.00 0.00 43.02 41.53 1uez s PHE 25 CO 0.00 -0.06 0.54 -1.12 -1.34 0.00 0.00 175.22 173.23 1uez s SER 26 N 0.62 6.78 0.29 1.98 0.01 -0.22 -4.94 113.70 118.21 1uez s SER 26 Ca -0.06 1.03 0.10 0.00 1.31 0.00 0.00 55.95 58.33 1uez s SER 26 Cb -0.08 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1uez s SER 26 CO -0.02 0.08 -0.01 0.27 0.41 0.00 0.00 173.24 173.97 1uez s ILE 27 N -1.52 3.16 0.24 1.44 -4.36 -1.26 0.47 121.20 119.37 1uez s ILE 27 Ca 0.39 -1.96 -0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1uez s ILE 27 Cb -0.14 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 1uez s ILE 27 CO 0.19 -0.33 0.27 0.00 0.24 0.00 0.00 174.94 175.31 1uez s ARG 28 N -3.68 1.40 0.00 0.37 1.70 0.10 -4.70 118.95 114.15 1uez s ARG 28 Ca 0.32 -1.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 1uez s ARG 28 Cb -0.05 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 1uez s ARG 28 CO 0.19 -0.52 0.00 0.41 -1.08 0.00 0.00 175.30 174.31 1uez n GLY 29 N -0.35 -0.05 0.00 3.88 0.00 -1.26 -1.29 105.19 106.12 1uez n GLY 29 Ca 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 4.64 0.32 -0.02 0.00 0.13 -4.43 105.19 105.82 1uez n GLY 30 Ca 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 45.08 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 0.44 -0.78 1.61 0.87 -0.61 -0.29 113.55 114.79 1uez h SER 31 Ca 0.00 -0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1uez h SER 31 Cb 0.00 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 1uez h SER 31 CO 0.00 0.30 0.51 -0.08 -0.53 0.00 0.00 176.83 177.03 1uez h GLU 32 N 0.51 0.62 0.00 2.24 4.81 -1.84 0.18 114.58 121.10 1uez h GLU 32 Ca 0.20 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1uez h GLU 32 Cb 0.16 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1uez h GLU 32 CO -0.05 0.41 -0.75 0.45 -0.73 0.00 0.00 179.01 178.33 1uez h HIS 33 N 0.64 0.00 0.00 0.92 3.86 -1.41 -3.47 115.15 115.69 1uez h HIS 33 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1uez h HIS 33 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1uez h HIS 33 CO -0.00 0.68 0.00 0.41 0.86 0.00 0.00 177.93 179.87 1uez n GLY 34 N 1.29 0.86 3.91 2.45 0.00 0.64 -5.06 105.19 109.28 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 2.43 0.00 1.61 -7.23 -1.02 -4.92 120.40 109.27 1uez s VAL 35 Ca 0.00 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 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 -1.70 0.63 3.12 2.32 0.00 -1.26 -2.37 105.19 105.93 1uez n GLY 36 Ca 0.04 0.00 -0.19 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 1.88 0.99 -0.04 -0.61 -1.09 -1.26 0.18 121.20 121.25 1uez s ILE 37 Ca 0.00 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.18 1uez s ILE 37 Cb 0.00 -0.91 0.07 0.00 -1.58 0.00 0.00 42.46 40.04 1uez s ILE 37 CO 0.00 -0.03 0.66 -0.31 -1.23 0.00 0.00 174.94 174.03 1uez s TYR 38 N -0.84 -0.63 0.32 3.97 2.02 -0.42 -2.75 117.35 119.02 1uez s TYR 38 Ca 0.00 1.05 -0.29 0.00 -0.37 0.00 0.00 57.07 57.46 1uez s TYR 38 Cb -0.08 0.40 -0.11 0.00 -0.40 0.00 0.00 41.96 41.77 1uez s TYR 38 CO 0.01 -0.61 1.55 0.08 -1.57 0.00 0.00 175.55 175.02 1uez s VAL 39 N -1.30 2.09 -0.10 0.71 1.01 -1.21 0.00 120.40 121.60 1uez s VAL 39 Ca -0.11 0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1uez s VAL 39 Cb -0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1uez s VAL 39 CO 0.09 0.01 -0.04 -1.54 0.00 0.00 0.00 175.10 173.62 1uez n SER 40 N 1.66 2.98 -3.77 3.32 3.41 0.18 -3.28 113.62 118.11 1uez n SER 40 Ca 0.06 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.50 1uez n SER 40 Cb 0.38 0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 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 -5.22 0.92 -0.05 1.04 1.98 -1.06 -4.88 118.68 111.41 1uez s LEU 41 Ca -0.10 0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.27 1uez s LEU 41 Cb 0.03 1.18 0.03 0.00 0.66 0.00 0.00 46.19 48.09 1uez s LEU 41 CO 0.31 -0.38 0.00 -0.69 -1.89 0.00 0.00 176.35 173.70 1uez s VAL 42 N -1.09 0.29 0.36 1.68 1.01 -1.26 -1.06 120.40 120.33 1uez s VAL 42 Ca -0.11 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 1uez s VAL 42 Cb -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1uez s VAL 42 CO 0.03 0.22 1.27 -1.61 0.00 0.00 0.00 175.10 175.02 1uez s GLU 43 N 1.67 4.20 0.67 2.72 2.02 -0.70 -5.00 118.70 124.29 1uez s GLU 43 Ca -0.00 2.12 -0.12 0.00 0.02 0.00 0.00 54.97 56.99 1uez s GLU 43 Cb -0.13 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.18 1uez s GLU 43 CO -0.03 -0.28 1.06 -1.25 0.02 0.00 0.00 175.26 174.77 1uez s PRO 44 N -1.99 3.02 -0.54 0.39 0.04 -1.26 -3.49 135.00 131.16 1uez s PRO 44 Ca 0.52 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 1uez s PRO 44 Cb -0.37 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.23 1uez s PRO 44 CO 0.49 -1.03 0.17 0.41 0.04 0.00 0.00 177.00 177.08 1uez n GLY 45 N -1.80 -0.40 3.95 0.56 0.00 -1.26 -4.85 105.19 101.38 1uez n GLY 45 Ca 0.08 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.13 5.19 0.01 1.61 1.04 -1.23 -5.00 113.70 113.19 1uez s SER 46 Ca 0.24 -0.73 -0.25 0.00 0.48 0.00 0.00 55.95 55.69 1uez s SER 46 Cb -0.14 -0.30 -0.18 0.00 0.10 0.00 0.00 66.02 65.50 1uez s SER 46 CO 0.30 -0.88 1.30 0.25 0.98 0.00 0.00 173.24 175.19 1uez h LEU 47 N 0.70 -0.17 -0.73 2.42 5.85 -1.88 -0.84 115.31 120.67 1uez h LEU 47 Ca -0.38 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.15 1uez h LEU 47 Cb 1.28 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 1uez h LEU 47 CO 0.50 0.20 -0.55 0.00 -0.34 0.00 0.00 178.44 178.25 1uez h ALA 48 N 0.21 -0.57 -1.00 1.25 0.00 -1.84 1.61 119.26 118.93 1uez h ALA 48 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1uez h ALA 48 Cb 0.43 1.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 1uez h ALA 48 CO 0.03 -0.97 0.65 1.49 0.00 0.00 0.00 179.25 180.45 1uez h GLU 49 N -0.18 1.17 -0.43 0.00 4.22 -1.75 0.12 114.58 117.72 1uez h GLU 49 Ca 0.14 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.47 1uez h GLU 49 Cb 0.51 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1uez h GLU 49 CO -0.78 0.77 0.12 0.87 -2.18 0.00 0.00 179.01 177.80 1uez h LYS 50 N 1.20 0.64 0.00 1.92 1.57 0.16 -0.70 116.57 121.36 1uez h LYS 50 Ca 0.42 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1uez h LYS 50 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1uez h LYS 50 CO -0.15 0.57 -0.19 0.93 -0.57 0.00 0.00 179.45 180.05 1uez h GLU 51 N 0.62 0.00 0.00 3.15 4.39 0.40 -3.46 114.58 119.68 1uez h GLU 51 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1uez h GLU 51 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1uez h GLU 51 CO -0.01 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 1uez n GLY 52 N -0.29 1.71 3.22 -3.84 0.00 -0.27 -4.84 105.19 100.88 1uez n GLY 52 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.98 0.00 0.99 7.94 -0.61 -4.92 117.00 117.42 1uez n LEU 53 Ca 0.00 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 1uez n LEU 53 Cb 0.00 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1uez n LEU 53 CO 0.00 -4.76 0.00 0.54 -1.11 0.00 0.00 177.39 172.06 1uez n ARG 54 N 0.49 0.00 -1.63 1.96 5.12 -1.26 -4.39 116.66 116.95 1uez n ARG 54 Ca 0.03 0.00 -0.60 0.00 -1.93 0.00 0.00 57.85 55.35 1uez n ARG 54 Cb 0.54 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.75 1uez n ARG 54 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1uez n VAL 55 N -0.04 0.17 0.00 1.55 0.31 -1.26 -1.59 118.33 117.47 1uez n VAL 55 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1uez n VAL 55 Cb 0.00 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 4.89 1.86 2.02 2.92 0.00 -1.21 -5.00 105.19 110.66 1uez n GLY 56 Ca 0.33 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.82 -3.59 1.61 8.00 -0.62 -4.75 116.55 114.38 1uez n ASP 57 Ca 0.00 -0.41 -0.21 0.00 0.71 0.00 0.00 54.79 54.89 1uez n ASP 57 Cb 0.00 -0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 40.39 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 -3.46 0.08 -0.81 -1.24 0.74 -1.26 -3.34 119.66 110.38 1uez s GLN 58 Ca 0.31 0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.69 1uez s GLN 58 Cb -0.05 -1.12 -0.04 0.00 1.10 0.00 0.00 33.01 32.90 1uez s GLN 58 CO 0.26 -0.54 1.93 0.42 -0.55 0.00 0.00 175.29 176.80 1uez s ILE 59 N 2.24 3.41 -0.05 -2.34 -1.09 -1.11 -2.84 121.20 119.42 1uez s ILE 59 Ca 0.04 -0.18 -0.24 0.00 -2.23 0.00 0.00 60.65 58.04 1uez s ILE 59 Cb -0.15 -3.97 -0.19 0.00 -1.58 0.00 0.00 42.46 36.58 1uez s ILE 59 CO -0.09 -0.92 1.01 -0.07 -1.23 0.00 0.00 174.94 173.65 1uez h LEU 60 N 17.48 -0.09 -8.77 2.97 3.38 0.64 -3.42 115.31 127.51 1uez h LEU 60 Ca -0.02 -0.50 -0.35 0.00 0.09 0.00 0.00 57.88 57.10 1uez h LEU 60 Cb 1.06 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 1uez h LEU 60 CO 1.21 0.51 -0.68 -0.13 0.09 0.00 0.00 178.44 179.44 1uez s ARG 61 N -3.57 1.20 -0.15 1.13 0.52 -1.11 -2.24 118.95 114.73 1uez s ARG 61 Ca -0.15 -1.57 -0.04 0.00 -0.52 0.00 0.00 55.73 53.45 1uez s ARG 61 Cb 0.00 -0.57 0.07 0.00 0.52 0.00 0.00 34.95 34.97 1uez s ARG 61 CO 0.59 -0.03 0.17 0.54 0.02 0.00 0.00 175.30 176.59 1uez s VAL 62 N -3.41 -0.26 0.00 3.52 0.11 -0.14 -0.39 120.40 119.83 1uez s VAL 62 Ca 0.23 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1uez s VAL 62 Cb 0.04 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1uez s VAL 62 CO 0.05 -0.08 0.00 -3.20 -3.33 0.00 0.00 175.10 168.54 1uez n ASN 63 N 5.31 0.00 0.00 3.54 2.85 -0.36 -3.14 115.26 123.47 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 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 3.92 0.00 -4.76 1.20 2.03 -1.26 -4.56 116.55 113.12 1uez n ASP 64 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1uez n ASP 64 Cb 0.00 0.16 0.10 0.00 -0.72 0.00 0.00 41.12 40.66 1uez n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1uez s LYS 65 N -1.40 2.02 -0.08 -0.67 1.02 -1.19 -5.00 119.74 114.43 1uez s LYS 65 Ca 0.00 1.00 -0.00 0.00 0.02 0.00 0.00 55.97 56.99 1uez s LYS 65 Cb 0.00 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1uez s LYS 65 CO 0.00 -1.76 -0.06 -1.54 -0.92 0.00 0.00 175.35 171.07 1uez s SER 66 N -3.48 4.74 -0.27 2.83 1.04 -1.26 -0.97 113.70 116.33 1uez s SER 66 Ca 0.61 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 57.00 1uez s SER 66 Cb -0.17 -1.28 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 1uez s SER 66 CO 0.56 0.34 2.86 0.18 0.98 0.00 0.00 173.24 178.17 1uez n LEU 67 N 2.35 6.04 -4.54 2.42 4.77 -0.95 -4.90 117.00 122.18 1uez n LEU 67 Ca -0.18 -3.59 -0.35 0.00 -0.03 0.00 0.00 56.01 51.86 1uez n LEU 67 Cb 0.53 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.32 1uez n LEU 67 CO 0.28 1.60 2.00 0.00 -1.33 0.00 0.00 177.39 179.94 1uez n ALA 68 N 1.31 0.70 -3.40 -1.18 0.00 -1.26 -3.52 120.51 113.15 1uez n ALA 68 Ca 0.41 -0.90 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 1uez n ALA 68 Cb 0.66 -3.11 0.03 0.00 0.00 0.00 0.00 19.45 17.03 1uez n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uez n ARG 69 N 8.91 -1.45 -4.14 0.00 1.74 -1.26 -4.98 116.66 115.48 1uez n ARG 69 Ca 0.41 1.22 -0.17 0.00 -0.77 0.00 0.00 57.85 58.55 1uez n ARG 69 Cb 0.48 -1.69 -0.12 0.00 -1.02 0.00 0.00 32.46 30.12 1uez n ARG 69 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1uez s VAL 70 N -1.31 0.92 0.95 1.55 -7.23 -1.23 -4.73 120.40 109.32 1uez s VAL 70 Ca 0.28 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.11 1uez s VAL 70 Cb -0.03 -0.92 0.11 0.00 0.56 0.00 0.00 36.38 36.11 1uez s VAL 70 CO 0.63 -0.27 0.81 0.35 -0.31 0.00 0.00 175.10 176.31 1uez n THR 71 N 1.35 0.00 0.26 5.32 -2.24 -1.26 -0.85 114.28 116.85 1uez n THR 71 Ca -0.22 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1uez n THR 71 Cb 0.54 -0.84 0.63 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.82 0.00 -0.08 4.78 2.76 -1.89 0.64 115.15 119.54 1uez h HIS 72 Ca -0.44 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 57.60 1uez h HIS 72 Cb 1.28 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 1uez h HIS 72 CO 0.43 0.03 -0.52 0.00 -1.30 0.00 0.00 177.93 176.57 1uez h ALA 73 N 1.97 0.98 0.49 5.26 0.00 -1.95 -1.72 119.26 124.29 1uez h ALA 73 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1uez h ALA 73 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uez h ALA 73 CO 0.00 0.67 -0.23 0.93 0.00 0.00 0.00 179.25 180.62 1uez h GLU 74 N 0.17 -0.63 -0.32 0.00 4.39 -1.21 0.30 114.58 117.28 1uez h GLU 74 Ca 0.00 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1uez h GLU 74 Cb 0.97 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 1uez h GLU 74 CO 0.08 -0.33 -0.11 0.00 -1.16 0.00 0.00 179.01 177.49 1uez h ALA 75 N -0.77 0.17 0.18 3.43 0.00 -1.41 0.16 119.26 121.02 1uez h ALA 75 Ca -0.07 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1uez h ALA 75 Cb 0.59 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1uez h ALA 75 CO 0.11 -0.49 -0.39 0.28 0.00 0.00 0.00 179.25 178.76 1uez h VAL 76 N -0.04 0.21 -0.17 0.00 2.07 -1.33 1.42 116.25 118.40 1uez h VAL 76 Ca 0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 1uez h VAL 76 Cb 0.29 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1uez h VAL 76 CO -0.36 0.00 0.44 0.11 0.02 0.00 0.00 177.57 177.79 1uez h LYS 77 N -0.66 0.00 0.06 1.57 1.57 -0.21 0.23 116.57 119.13 1uez h LYS 77 Ca 0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 1uez h LYS 77 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1uez h LYS 77 CO -0.19 0.00 -1.36 0.00 -0.57 0.00 0.00 179.45 177.33 1uez h ALA 78 N 1.27 0.25 -0.44 3.86 0.00 0.17 -3.40 119.26 120.98 1uez h ALA 78 Ca 0.08 -1.16 -0.49 0.00 0.00 0.00 0.00 54.91 53.34 1uez h ALA 78 Cb 0.96 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1uez h ALA 78 CO -0.00 0.81 1.66 1.28 0.00 0.00 0.00 179.25 182.99 1uez n LEU 79 N -4.11 3.88 -4.25 0.00 4.77 0.44 -4.85 117.00 112.88 1uez n LEU 79 Ca -0.28 -3.34 -0.14 0.00 -0.03 0.00 0.00 56.01 52.21 1uez n LEU 79 Cb 0.80 -1.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1uez n LEU 79 CO 0.31 -0.97 -0.33 -0.54 -1.33 0.00 0.00 177.39 174.53 1uez s LYS 80 N 5.53 1.13 -1.10 3.23 1.02 -1.26 -4.86 119.74 123.44 1uez s LYS 80 Ca 0.62 -1.55 -0.24 0.00 0.02 0.00 0.00 55.97 54.82 1uez s LYS 80 Cb 0.04 -0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 36.94 1uez s LYS 80 CO 0.11 -0.13 1.99 0.20 -0.92 0.00 0.00 175.35 176.60 1uez s GLY 81 N -3.19 -0.08 0.36 -3.33 0.00 -1.26 -4.85 107.32 94.97 1uez s GLY 81 Ca 0.24 -1.86 0.08 0.00 0.00 0.00 0.00 44.72 43.18 1uez s GLY 81 CO 0.05 3.69 0.26 -1.35 0.00 0.00 0.00 173.10 175.75 1uez s SER 82 N 7.31 4.97 -0.90 1.64 1.04 -1.26 -4.97 113.70 121.52 1uez s SER 82 Ca 0.72 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 56.22 1uez s SER 82 Cb -0.03 -0.76 -0.22 0.00 0.10 0.00 0.00 66.02 65.11 1uez s SER 82 CO 0.11 -0.42 2.49 0.29 0.98 0.00 0.00 173.24 176.68 1uez n LYS 83 N -1.33 0.21 -2.79 4.02 5.02 -1.26 -3.03 118.16 119.00 1uez n LYS 83 Ca -0.01 -0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.17 1uez n LYS 83 Cb 0.61 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 7.80 -3.37 -2.81 1.97 3.00 -1.26 -4.84 118.16 118.66 1uez n LYS 84 Ca 0.61 2.63 -0.43 0.00 -0.00 0.00 0.00 58.31 61.12 1uez n LYS 84 Cb 0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 35.03 31.69 1uez n LYS 84 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1uez s LEU 85 N -0.43 3.98 -0.49 3.14 2.96 -1.17 -4.85 118.68 121.84 1uez s LEU 85 Ca -0.18 0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.73 1uez s LEU 85 Cb 0.01 -3.22 0.09 0.00 0.50 0.00 0.00 46.19 43.57 1uez s LEU 85 CO 0.50 -1.06 0.41 -0.69 -1.32 0.00 0.00 176.35 174.19 1uez s VAL 86 N 3.79 5.12 -0.15 1.68 1.01 -1.26 -3.38 120.40 127.21 1uez s VAL 86 Ca 0.38 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1uez s VAL 86 Cb -0.10 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1uez s VAL 86 CO 0.26 -0.66 1.10 -0.76 0.00 0.00 0.00 175.10 175.04 1uez s LEU 87 N 1.61 4.18 -0.48 3.92 2.01 0.52 -1.22 118.68 129.22 1uez s LEU 87 Ca 0.04 1.55 -0.17 0.00 0.01 0.00 0.00 54.13 55.56 1uez s LEU 87 Cb -0.26 -3.55 0.06 0.00 0.01 0.00 0.00 46.19 42.46 1uez s LEU 87 CO 0.05 -0.61 0.48 -0.44 1.01 0.00 0.00 176.35 176.84 1uez s SER 88 N 1.36 6.18 0.08 2.29 0.01 0.48 0.05 113.70 124.15 1uez s SER 88 Ca 0.49 -1.13 0.10 0.00 1.31 0.00 0.00 55.95 56.72 1uez s SER 88 Cb -0.19 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1uez s SER 88 CO 0.14 -0.73 -0.26 0.68 0.41 0.00 0.00 173.24 173.48 1uez s VAL 89 N 2.03 2.12 -0.33 3.43 -7.23 -1.03 0.12 120.40 119.51 1uez s VAL 89 Ca 0.09 -1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1uez s VAL 89 Cb -0.22 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 1uez s VAL 89 CO 0.09 0.22 0.18 -0.47 -0.31 0.00 0.00 175.10 174.80 1uez s TYR 90 N -0.93 3.20 -0.02 2.82 5.04 -1.13 -0.10 117.35 126.24 1uez s TYR 90 Ca 0.12 -0.59 -0.17 0.00 -2.44 0.00 0.00 57.07 53.99 1uez s TYR 90 Cb -0.10 -2.39 -0.06 0.00 0.35 0.00 0.00 41.96 39.77 1uez s TYR 90 CO 0.04 -0.48 0.46 0.45 -1.34 0.00 0.00 175.55 174.68 1uez s SER 91 N 1.62 6.83 0.30 4.32 0.15 -1.18 -4.32 113.70 121.43 1uez s SER 91 Ca 0.04 0.99 0.02 0.00 0.70 0.00 0.00 55.95 57.71 1uez s SER 91 Cb -0.17 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1uez s SER 91 CO 0.07 0.23 0.11 0.00 1.20 0.00 0.00 173.24 174.84 1uez s ALA 92 N -0.63 2.06 0.00 5.45 0.00 -1.26 -3.61 121.76 123.77 1uez s ALA 92 Ca 0.25 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1uez s ALA 92 Cb -0.17 0.95 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1uez s ALA 92 CO 0.14 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1uez n GLY 93 N -0.59 0.95 0.00 0.00 0.00 -1.26 -4.74 105.19 99.54 1uez n GLY 93 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 1.64 0.00 -4.04 1.61 3.00 -1.26 -4.30 116.66 113.31 1uez n ARG 94 Ca 0.00 0.75 -0.32 0.00 -0.00 0.00 0.00 57.85 58.28 1uez n ARG 94 Cb 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 32.46 30.98 1uez n ARG 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uez s ILE 95 N -2.31 1.93 0.32 5.15 1.09 -1.26 -5.11 121.20 121.00 1uez s ILE 95 Ca 0.00 -1.32 0.09 0.00 -1.10 0.00 0.00 60.65 58.33 1uez s ILE 95 Cb 0.00 -2.01 -0.05 0.00 -1.06 0.00 0.00 42.46 39.34 1uez s ILE 95 CO 0.00 0.10 -0.00 -0.94 -0.10 0.00 0.00 174.94 173.99 1uez s SER 96 N 1.25 4.24 0.16 3.58 1.04 -1.26 -5.05 113.70 117.65 1uez s SER 96 Ca -0.04 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1uez s SER 96 Cb -0.18 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1uez s SER 96 CO -0.07 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1uez n GLY 97 N -0.92 -3.11 3.78 7.32 0.00 -1.26 -4.99 105.19 106.00 1uez n GLY 97 Ca -0.05 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.30 0.48 -0.07 1.61 0.04 -1.26 -5.08 135.00 126.42 1uez s PRO 98 Ca 0.00 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.06 1uez s PRO 98 Cb 0.00 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.80 1uez s PRO 98 CO 0.00 -2.59 0.11 -1.12 0.04 0.00 0.00 177.00 173.44 1uez s SER 99 N -4.20 1.03 -0.04 6.66 0.01 -1.26 -5.14 113.70 110.77 1uez s SER 99 Ca 0.68 0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.91 1uez s SER 99 Cb -0.11 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1uez s SER 99 CO 0.54 -0.25 0.51 -0.55 0.41 0.00 0.00 173.24 173.89 1uez s SER 100 N 2.23 6.84 0.00 2.44 0.15 -1.26 -5.32 113.70 118.77 1uez s SER 100 Ca 0.04 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1uez s SER 100 Cb -0.12 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1uez s SER 100 CO -0.05 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.13