#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 4.01 -0.21 1.61 0.01 -1.26 -5.06 113.70 112.80 1uez s SER 2 Ca 0.00 -2.64 -0.29 0.00 1.31 0.00 0.00 55.95 54.34 1uez s SER 2 Cb 0.00 -1.28 0.14 0.00 0.21 0.00 0.00 66.02 65.09 1uez s SER 2 CO 0.00 -0.28 1.11 -0.55 0.41 0.00 0.00 173.24 173.93 1uez s SER 3 N 0.28 -0.29 0.00 2.44 0.15 -1.26 -5.15 113.70 109.88 1uez s SER 3 Ca 0.16 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1uez s SER 3 Cb -0.24 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1uez s SER 3 CO -0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1uez n GLY 4 N 0.95 1.08 3.10 9.45 0.00 -1.26 -5.16 105.19 113.35 1uez n GLY 4 Ca -0.08 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.09 0.13 1.61 0.15 -1.26 -5.16 113.70 109.26 1uez s SER 5 Ca 0.00 0.72 0.05 0.00 0.70 0.00 0.00 55.95 57.42 1uez s SER 5 Cb 0.00 0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 65.14 1uez s SER 5 CO 0.00 -0.23 -0.12 -0.94 1.20 0.00 0.00 173.24 173.15 1uez s SER 6 N 2.33 1.87 0.00 5.45 1.04 -1.26 -5.14 113.70 117.98 1uez s SER 6 Ca -0.01 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1uez s SER 6 Cb -0.12 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1uez s SER 6 CO -0.10 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1uez n GLY 7 N 0.36 0.93 3.65 7.32 0.00 -1.26 -5.12 105.19 111.07 1uez n GLY 7 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 1uez n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uez s GLU 8 N 0.36 0.17 -0.08 1.61 -1.05 -1.11 -5.07 118.70 113.53 1uez s GLU 8 Ca 0.00 0.25 -0.23 0.00 -0.15 0.00 0.00 54.97 54.84 1uez s GLU 8 Cb 0.00 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.71 1uez s GLU 8 CO 0.00 -0.03 0.67 0.08 0.95 0.00 0.00 175.26 176.93 1uez s VAL 9 N 0.70 5.06 0.52 1.83 1.01 -1.26 -1.39 120.40 126.88 1uez s VAL 9 Ca -0.02 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.36 1uez s VAL 9 Cb -0.04 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1uez s VAL 9 CO -0.12 0.26 0.73 0.00 0.00 0.00 0.00 175.10 175.97 1uez s ARG 10 N 0.82 2.61 -0.31 2.72 1.70 0.38 -4.88 118.95 121.98 1uez s ARG 10 Ca 0.36 -0.86 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 1uez s ARG 10 Cb -0.17 -2.54 0.10 0.00 -0.57 0.00 0.00 34.95 31.76 1uez s ARG 10 CO 0.17 -0.61 0.06 -0.51 -1.08 0.00 0.00 175.30 173.33 1uez s LEU 11 N -4.67 3.38 0.02 -1.89 1.43 -1.26 -3.16 118.68 112.53 1uez s LEU 11 Ca 0.57 -1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 51.76 1uez s LEU 11 Cb -0.10 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 1uez s LEU 11 CO 0.37 -0.38 0.33 -0.69 0.23 0.00 0.00 176.35 176.21 1uez s VAL 12 N 1.28 5.20 -0.17 -1.59 1.01 -0.11 -4.91 120.40 121.12 1uez s VAL 12 Ca 0.09 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 1uez s VAL 12 Cb -0.18 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1uez s VAL 12 CO -0.16 0.39 -0.05 -0.55 0.00 0.00 0.00 175.10 174.73 1uez s SER 13 N -1.58 2.88 -0.10 3.32 0.15 -1.26 0.20 113.70 117.31 1uez s SER 13 Ca 0.28 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1uez s SER 13 Cb -0.14 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 1uez s SER 13 CO 0.15 -0.18 -0.16 -0.76 1.20 0.00 0.00 173.24 173.49 1uez s LEU 14 N 1.62 2.57 0.44 3.45 2.01 -1.23 -4.91 118.68 122.63 1uez s LEU 14 Ca 0.01 -0.35 0.07 0.00 0.01 0.00 0.00 54.13 53.87 1uez s LEU 14 Cb -0.15 -1.55 -0.02 0.00 0.01 0.00 0.00 46.19 44.48 1uez s LEU 14 CO -0.08 0.21 0.32 -0.60 1.01 0.00 0.00 176.35 177.22 1uez s ARG 15 N 0.08 2.39 -0.37 1.70 3.52 -1.26 -4.12 118.95 120.88 1uez s ARG 15 Ca -0.07 -1.72 0.05 0.00 -0.13 0.00 0.00 55.73 53.87 1uez s ARG 15 Cb -0.15 -2.21 0.46 0.00 -1.56 0.00 0.00 34.95 31.49 1uez s ARG 15 CO 0.05 -0.25 1.39 2.89 -0.81 0.00 0.00 175.30 178.58 1uez n ARG 16 N -1.49 3.30 -3.27 5.12 1.85 -1.26 -4.17 116.66 116.74 1uez n ARG 16 Ca 0.01 -3.91 -0.19 0.00 -1.00 0.00 0.00 57.85 52.76 1uez n ARG 16 Cb 0.63 -2.25 -0.07 0.00 -1.05 0.00 0.00 32.46 29.72 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uez s ALA 17 N -3.63 -0.05 -0.28 2.89 0.00 -1.26 -4.66 121.76 114.76 1uez s ALA 17 Ca 0.54 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1uez s ALA 17 Cb 0.43 -2.00 0.33 0.00 0.00 0.00 0.00 23.12 21.89 1uez s ALA 17 CO 0.02 -2.11 1.35 1.17 0.00 0.00 0.00 175.76 176.20 1uez n LYS 18 N 3.52 1.11 0.00 0.00 4.81 -1.26 -5.01 118.16 121.33 1uez n LYS 18 Ca 0.19 -1.03 0.00 0.00 -0.87 0.00 0.00 58.31 56.60 1uez n LYS 18 Cb 0.48 0.33 0.00 0.00 0.02 0.00 0.00 35.03 35.85 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 -1.23 0.00 -3.20 3.14 0.00 -1.26 -4.80 120.51 113.16 1uez n ALA 19 Ca -0.14 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.84 1uez n ALA 19 Cb 0.81 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.22 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 3.31 -0.04 0.00 -3.43 -1.26 -5.02 115.29 108.85 1uez s HIS 20 Ca 0.00 -1.41 -0.33 0.00 -0.80 0.00 0.00 55.06 52.52 1uez s HIS 20 Cb 0.00 -3.93 -0.12 0.00 -1.43 0.00 0.00 32.58 27.10 1uez s HIS 20 CO 0.00 -1.16 1.87 0.39 -2.00 0.00 0.00 174.74 173.84 1uez n GLU 21 N 5.37 2.29 0.00 -0.38 1.02 -1.26 -4.78 120.64 122.91 1uez n GLU 21 Ca 0.00 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1uez n GLU 21 Cb 0.44 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uez n GLY 22 N 4.34 4.28 0.27 0.62 0.00 -1.26 -4.90 105.19 108.54 1uez n GLY 22 Ca 0.22 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.84 1uez n GLY 22 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uez h LEU 23 N 0.00 0.15 0.00 0.99 3.38 -1.87 -3.44 115.31 114.52 1uez h LEU 23 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uez h LEU 23 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1uez h LEU 23 CO 0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1uez n GLY 24 N -1.43 0.85 2.96 0.83 0.00 -1.26 -4.11 105.19 103.02 1uez n GLY 24 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.06 -0.18 0.54 1.61 -0.12 -1.26 0.64 117.98 117.15 1uez s PHE 25 Ca 0.00 0.51 -0.03 0.00 -0.05 0.00 0.00 56.93 57.36 1uez s PHE 25 Cb 0.00 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.36 1uez s PHE 25 CO 0.00 -0.16 0.81 -1.12 -0.05 0.00 0.00 175.22 174.70 1uez s SER 26 N 1.01 5.58 0.30 1.98 0.01 0.72 -4.94 113.70 118.36 1uez s SER 26 Ca -0.08 0.46 0.05 0.00 1.31 0.00 0.00 55.95 57.69 1uez s SER 26 Cb -0.10 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.57 1uez s SER 26 CO -0.05 -0.98 0.01 0.27 0.41 0.00 0.00 173.24 172.89 1uez s ILE 27 N -2.83 1.36 0.21 1.44 -4.36 -1.26 -0.99 121.20 114.77 1uez s ILE 27 Ca 0.53 -2.05 -0.17 0.00 -0.26 0.00 0.00 60.65 58.70 1uez s ILE 27 Cb -0.10 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.01 1uez s ILE 27 CO 0.42 -0.16 0.53 0.00 0.24 0.00 0.00 174.94 175.97 1uez s ARG 28 N -3.82 1.45 0.00 0.37 1.70 0.49 -4.47 118.95 114.67 1uez s ARG 28 Ca 0.33 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 1uez s ARG 28 Cb 0.07 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1uez s ARG 28 CO 0.13 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 1uez n GLY 29 N -0.36 0.17 0.00 3.88 0.00 -1.26 -0.99 105.19 106.63 1uez n GLY 29 Ca -0.08 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 4.45 0.24 -0.02 0.00 0.15 -4.14 105.19 105.87 1uez n GLY 30 Ca 0.00 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 0.08 1.61 0.87 -0.30 -1.02 113.55 114.80 1uez h SER 31 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1uez h SER 31 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1uez h SER 31 CO 0.00 0.14 -0.06 1.05 -0.53 0.00 0.00 176.83 177.42 1uez h GLU 32 N 0.00 0.00 0.00 2.24 4.11 -1.86 0.58 114.58 119.66 1uez h GLU 32 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uez h GLU 32 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1uez h GLU 32 CO 0.02 0.06 -0.77 0.72 0.07 0.00 0.00 179.01 179.11 1uez n HIS 33 N -4.29 0.17 -0.31 2.06 8.25 -0.43 -4.93 115.22 115.75 1uez n HIS 33 Ca -0.03 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1uez n HIS 33 Cb 0.15 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1uez n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uez n GLY 34 N 1.43 1.00 3.92 -1.41 0.00 0.20 -5.03 105.19 105.30 1uez n GLY 34 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.79 3.82 0.00 1.61 -7.23 -0.99 -4.94 120.40 109.87 1uez s VAL 35 Ca 0.00 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1uez s VAL 35 Cb 0.00 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.64 1uez s VAL 35 CO 0.00 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1uez n GLY 36 N -1.50 0.84 3.09 2.32 0.00 -1.26 -2.95 105.19 105.73 1uez n GLY 36 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.32 0.83 0.17 -0.61 -1.09 -1.26 -0.67 121.20 118.89 1uez s ILE 37 Ca 0.00 -0.94 -0.23 0.00 -2.23 0.00 0.00 60.65 57.25 1uez s ILE 37 Cb 0.00 -0.79 0.06 0.00 -1.58 0.00 0.00 42.46 40.15 1uez s ILE 37 CO 0.00 -0.12 0.62 -0.31 -1.23 0.00 0.00 174.94 173.90 1uez s TYR 38 N -0.95 -0.50 0.23 3.97 1.51 -0.16 -2.09 117.35 119.36 1uez s TYR 38 Ca -0.02 0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 1uez s TYR 38 Cb -0.08 0.58 -0.09 0.00 -0.11 0.00 0.00 41.96 42.26 1uez s TYR 38 CO 0.01 -0.89 1.12 0.08 -1.11 0.00 0.00 175.55 174.75 1uez s VAL 39 N -3.76 3.64 -0.09 0.71 1.01 -1.22 0.19 120.40 120.87 1uez s VAL 39 Ca 0.02 1.51 0.13 0.00 0.00 0.00 0.00 61.98 63.64 1uez s VAL 39 Cb -0.02 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 1uez s VAL 39 CO -0.11 0.30 0.14 -1.54 0.00 0.00 0.00 175.10 173.89 1uez n SER 40 N 1.85 1.71 -3.68 3.32 3.41 -0.16 -3.34 113.62 116.73 1uez n SER 40 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 1uez n SER 40 Cb 0.45 1.10 -0.08 0.00 -0.26 0.00 0.00 64.21 65.43 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 -4.66 0.29 -0.07 1.04 1.98 -1.24 -4.89 118.68 111.14 1uez s LEU 41 Ca -0.06 0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.57 1uez s LEU 41 Cb 0.06 1.71 0.03 0.00 0.66 0.00 0.00 46.19 48.65 1uez s LEU 41 CO 0.56 -0.46 0.02 -0.69 -1.89 0.00 0.00 176.35 173.90 1uez s VAL 42 N -1.05 0.25 0.39 1.68 1.01 -1.26 -0.20 120.40 121.21 1uez s VAL 42 Ca -0.11 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1uez s VAL 42 Cb -0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1uez s VAL 42 CO 0.05 0.22 1.28 -1.61 0.00 0.00 0.00 175.10 175.04 1uez s GLU 43 N 2.02 4.07 0.77 2.72 2.02 0.21 -4.99 118.70 125.52 1uez s GLU 43 Ca 0.05 2.10 -0.11 0.00 0.02 0.00 0.00 54.97 57.03 1uez s GLU 43 Cb -0.12 -2.81 0.05 0.00 0.10 0.00 0.00 34.13 31.35 1uez s GLU 43 CO -0.05 -0.39 1.09 -1.25 0.02 0.00 0.00 175.26 174.68 1uez s PRO 44 N -2.15 2.31 -0.03 0.39 0.04 -1.26 -3.50 135.00 130.80 1uez s PRO 44 Ca 0.55 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 1uez s PRO 44 Cb -0.37 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1uez s PRO 44 CO 0.48 -1.48 0.01 0.41 0.04 0.00 0.00 177.00 176.45 1uez n GLY 45 N -2.07 -0.45 4.02 0.56 0.00 -1.26 -4.85 105.19 101.14 1uez n GLY 45 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.83 5.35 -0.01 1.61 1.04 -1.23 -5.01 113.70 113.63 1uez s SER 46 Ca 0.01 -0.60 -0.24 0.00 0.48 0.00 0.00 55.95 55.61 1uez s SER 46 Cb -0.01 -0.21 -0.16 0.00 0.10 0.00 0.00 66.02 65.74 1uez s SER 46 CO 0.02 -1.07 1.10 0.25 0.98 0.00 0.00 173.24 174.52 1uez h LEU 47 N 0.37 -0.35 -0.27 2.42 5.85 -1.88 -2.06 115.31 119.40 1uez h LEU 47 Ca -0.35 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.21 1uez h LEU 47 Cb 1.28 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1uez h LEU 47 CO 0.43 0.06 -0.25 0.00 -0.34 0.00 0.00 178.44 178.34 1uez h ALA 48 N -0.37 -0.42 -0.75 1.25 0.00 -1.91 1.69 119.26 118.76 1uez h ALA 48 Ca -0.04 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1uez h ALA 48 Cb 0.52 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1uez h ALA 48 CO 0.07 -0.56 0.64 1.49 0.00 0.00 0.00 179.25 180.89 1uez h GLU 49 N -0.12 0.00 0.01 0.00 4.81 -1.73 1.41 114.58 118.96 1uez h GLU 49 Ca 0.04 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.06 1uez h GLU 49 Cb 0.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1uez h GLU 49 CO -0.31 0.00 -1.00 0.87 -0.73 0.00 0.00 179.01 177.84 1uez h LYS 50 N 0.00 0.03 0.00 1.92 1.57 0.19 -3.10 116.57 117.18 1uez h LYS 50 Ca 0.36 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1uez h LYS 50 Cb 1.63 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1uez h LYS 50 CO -0.00 1.00 0.00 0.93 -0.57 0.00 0.00 179.45 180.80 1uez h GLU 51 N 0.01 0.00 0.00 3.15 4.39 1.24 -3.47 114.58 119.90 1uez h GLU 51 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1uez h GLU 51 Cb 1.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1uez h GLU 51 CO 0.13 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.39 1uez n GLY 52 N 0.91 1.61 3.11 -3.84 0.00 0.08 -4.95 105.19 102.11 1uez n GLY 52 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.50 0.00 0.99 7.94 -0.73 -4.88 117.00 115.83 1uez n LEU 53 Ca 0.00 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1uez n LEU 53 Cb 0.00 -0.88 0.00 0.00 0.53 0.00 0.00 43.42 43.07 1uez n LEU 53 CO 0.00 -5.41 0.00 0.54 -1.11 0.00 0.00 177.39 171.41 1uez n ARG 54 N 1.38 0.00 -1.52 1.96 1.74 -1.26 -4.21 116.66 114.75 1uez n ARG 54 Ca 0.00 0.00 -0.52 0.00 -0.77 0.00 0.00 57.85 56.56 1uez n ARG 54 Cb 0.55 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.92 1uez n ARG 54 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uez n VAL 55 N -0.41 0.25 0.00 1.55 0.31 -1.26 -1.20 118.33 117.57 1uez n VAL 55 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1uez n VAL 55 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 5.84 1.22 3.34 2.92 0.00 -1.21 -5.01 105.19 112.30 1uez n GLY 56 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1uez n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uez n ASP 57 N 0.00 -2.31 -3.88 1.61 5.75 -0.34 -4.82 116.55 112.56 1uez n ASP 57 Ca 0.00 -0.24 -0.29 0.00 -0.01 0.00 0.00 54.79 54.26 1uez n ASP 57 Cb 0.00 -1.09 -0.16 0.00 -1.03 0.00 0.00 41.12 38.84 1uez n ASP 57 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1uez s GLN 58 N -3.99 1.38 -0.97 0.11 0.74 -1.26 -3.40 119.66 112.26 1uez s GLN 58 Ca 0.62 -0.62 -0.24 0.00 0.05 0.00 0.00 55.36 55.18 1uez s GLN 58 Cb -0.18 -2.16 0.03 0.00 1.10 0.00 0.00 33.01 31.79 1uez s GLN 58 CO 0.64 -0.50 1.56 0.42 -0.55 0.00 0.00 175.29 176.87 1uez s ILE 59 N 1.61 3.79 0.00 -2.34 -1.09 -0.89 -2.89 121.20 119.39 1uez s ILE 59 Ca -0.01 -0.59 -0.18 0.00 -2.23 0.00 0.00 60.65 57.64 1uez s ILE 59 Cb -0.16 -4.79 -0.10 0.00 -1.58 0.00 0.00 42.46 35.83 1uez s ILE 59 CO -0.07 -1.69 0.91 -0.07 -1.23 0.00 0.00 174.94 172.79 1uez h LEU 60 N 14.05 -0.54 -9.51 2.97 3.38 -0.21 -3.41 115.31 122.05 1uez h LEU 60 Ca 0.14 0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.53 1uez h LEU 60 Cb 1.01 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 1uez h LEU 60 CO 1.37 -0.26 -0.63 -0.13 0.09 0.00 0.00 178.44 178.88 1uez s ARG 61 N -3.83 1.85 -0.16 1.13 0.52 -1.03 -1.95 118.95 115.48 1uez s ARG 61 Ca -0.09 -2.02 -0.04 0.00 -0.52 0.00 0.00 55.73 53.06 1uez s ARG 61 Cb 0.01 -1.53 0.07 0.00 0.52 0.00 0.00 34.95 34.02 1uez s ARG 61 CO 0.28 -0.01 0.18 0.54 0.02 0.00 0.00 175.30 176.31 1uez s VAL 62 N -2.77 -0.26 0.00 3.52 0.11 0.57 -1.21 120.40 120.36 1uez s VAL 62 Ca 0.34 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1uez s VAL 62 Cb 0.07 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1uez s VAL 62 CO 0.17 -0.10 0.00 -3.20 -3.33 0.00 0.00 175.10 168.64 1uez n ASN 63 N 5.31 0.00 0.00 3.54 2.85 0.46 -2.42 115.26 125.00 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 2.23 0.00 -4.76 1.20 2.03 -1.26 -4.62 116.55 111.37 1uez n ASP 64 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1uez n ASP 64 Cb 0.00 0.23 0.03 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.52 3.05 -0.18 -0.67 1.02 -1.02 -5.01 119.74 115.41 1uez s LYS 65 Ca 0.00 1.70 -0.06 0.00 0.02 0.00 0.00 55.97 57.63 1uez s LYS 65 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1uez s LYS 65 CO 0.00 -1.11 0.03 -1.12 -0.92 0.00 0.00 175.35 172.23 1uez s SER 66 N -1.78 5.32 -0.42 2.83 0.01 -1.26 -0.32 113.70 118.08 1uez s SER 66 Ca 0.75 -0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.97 1uez s SER 66 Cb -0.27 -1.90 0.11 0.00 0.21 0.00 0.00 66.02 64.17 1uez s SER 66 CO 0.32 0.16 2.57 0.18 0.41 0.00 0.00 173.24 176.88 1uez n LEU 67 N 3.60 6.49 -0.16 2.44 4.77 -0.82 -4.68 117.00 128.63 1uez n LEU 67 Ca -0.17 -3.86 -0.12 0.00 -0.03 0.00 0.00 56.01 51.84 1uez n LEU 67 Cb 0.52 -1.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.34 1uez n LEU 67 CO 0.34 1.59 0.50 0.00 -1.33 0.00 0.00 177.39 178.49 1uez h ALA 68 N 2.57 -0.69 -1.93 -1.18 0.00 -1.91 -3.38 119.26 112.75 1uez h ALA 68 Ca 0.37 0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.92 1uez h ALA 68 Cb 0.78 1.11 -0.31 0.00 0.00 0.00 0.00 17.79 19.38 1uez h ALA 68 CO 0.86 -0.94 -0.69 0.50 0.00 0.00 0.00 179.25 178.97 1uez s ARG 69 N -5.28 0.67 0.09 0.00 3.52 -1.26 -4.63 118.95 112.06 1uez s ARG 69 Ca -0.12 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 54.55 1uez s ARG 69 Cb 0.08 -0.73 -0.04 0.00 -1.56 0.00 0.00 34.95 32.69 1uez s ARG 69 CO 0.53 -1.21 -0.07 0.14 -0.81 0.00 0.00 175.30 173.89 1uez s VAL 70 N 1.33 0.65 0.80 7.11 -7.23 -1.26 -4.74 120.40 117.06 1uez s VAL 70 Ca 0.18 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 1uez s VAL 70 Cb -0.14 -1.51 0.08 0.00 0.56 0.00 0.00 36.38 35.36 1uez s VAL 70 CO -0.03 -0.80 1.12 0.42 -0.31 0.00 0.00 175.10 175.49 1uez s THR 71 N -3.29 2.91 0.46 5.32 -4.23 -1.26 0.09 115.64 115.63 1uez s THR 71 Ca 0.08 0.31 0.20 0.00 -1.18 0.00 0.00 61.69 61.11 1uez s THR 71 Cb 0.03 -2.68 0.39 0.00 1.34 0.00 0.00 72.50 71.58 1uez s THR 71 CO -0.04 -0.37 1.91 -0.74 -0.54 0.00 0.00 174.62 174.84 1uez h HIS 72 N -1.19 0.35 0.10 3.99 2.76 -1.91 0.25 115.15 119.50 1uez h HIS 72 Ca -0.44 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1uez h HIS 72 Cb 1.25 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1uez h HIS 72 CO 0.55 0.11 -0.05 0.00 -1.30 0.00 0.00 177.93 177.24 1uez h ALA 73 N 1.64 -0.14 -0.22 5.26 0.00 -1.93 -1.36 119.26 122.51 1uez h ALA 73 Ca 0.39 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1uez h ALA 73 Cb 1.10 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1uez h ALA 73 CO -0.10 -0.38 -0.20 0.93 0.00 0.00 0.00 179.25 179.50 1uez h GLU 74 N -0.53 -0.21 -0.08 0.00 4.39 -1.37 0.82 114.58 117.60 1uez h GLU 74 Ca -0.01 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1uez h GLU 74 Cb 0.44 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1uez h GLU 74 CO 0.02 -0.14 -0.23 0.00 -1.16 0.00 0.00 179.01 177.51 1uez h ALA 75 N 0.87 -0.23 0.40 3.43 0.00 -1.08 0.37 119.26 123.01 1uez h ALA 75 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uez h ALA 75 Cb 0.41 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1uez h ALA 75 CO -0.35 -0.70 -0.42 0.28 0.00 0.00 0.00 179.25 178.07 1uez h VAL 76 N -0.31 0.16 -0.13 0.00 2.07 -0.43 0.60 116.25 118.22 1uez h VAL 76 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1uez h VAL 76 Cb 0.44 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1uez h VAL 76 CO -0.26 0.00 0.39 0.11 0.02 0.00 0.00 177.57 177.83 1uez h LYS 77 N -0.84 0.00 0.21 1.57 1.57 0.11 0.62 116.57 119.81 1uez h LYS 77 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 1uez h LYS 77 Cb 0.75 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.08 1uez h LYS 77 CO -0.07 0.00 -1.68 0.00 -0.57 0.00 0.00 179.45 177.13 1uez h ALA 78 N 1.34 0.06 -3.00 3.86 0.00 0.28 -3.40 119.26 118.39 1uez h ALA 78 Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1uez h ALA 78 Cb 0.84 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1uez h ALA 78 CO -0.00 0.93 0.00 1.28 0.00 0.00 0.00 179.25 181.46 1uez n LEU 79 N -3.63 0.05 0.00 0.00 4.77 0.21 -4.85 117.00 113.55 1uez n LEU 79 Ca -0.22 0.47 0.02 0.00 -0.03 0.00 0.00 56.01 56.25 1uez n LEU 79 Cb 1.09 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1uez n LEU 79 CO 0.54 0.00 -0.02 0.29 -1.33 0.00 0.00 177.39 176.87 1uez n LYS 80 N -0.48 -0.24 -3.80 3.23 4.01 -0.80 -4.55 118.16 115.53 1uez n LYS 80 Ca 0.00 0.16 -0.29 0.00 -0.51 0.00 0.00 58.31 57.67 1uez n LYS 80 Cb 0.00 -0.29 -0.13 0.00 -0.51 0.00 0.00 35.03 34.10 1uez n LYS 80 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1uez s GLY 81 N -5.00 2.14 0.50 0.72 0.00 -1.26 -5.01 107.32 99.41 1uez s GLY 81 Ca 0.00 -3.05 -0.06 0.00 0.00 0.00 0.00 44.72 41.61 1uez s GLY 81 CO 0.00 1.32 0.82 -0.56 0.00 0.00 0.00 173.10 174.69 1uez s SER 82 N -0.23 6.27 0.58 1.64 0.01 -1.26 -4.91 113.70 115.79 1uez s SER 82 Ca 0.20 1.01 0.36 0.00 1.31 0.00 0.00 55.95 58.83 1uez s SER 82 Cb -0.19 -2.29 1.40 0.00 0.21 0.00 0.00 66.02 65.16 1uez s SER 82 CO -0.05 -0.62 1.61 0.07 0.41 0.00 0.00 173.24 174.66 1uez h LYS 83 N 0.17 0.00 -0.55 12.44 5.09 -1.99 -3.29 116.57 128.44 1uez h LYS 83 Ca -0.46 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.35 1uez h LYS 83 Cb 1.20 0.00 -0.19 0.00 0.10 0.00 0.00 32.23 33.35 1uez h LYS 83 CO 0.62 0.00 -0.23 0.21 -2.09 0.00 0.00 179.45 177.96 1uez s LYS 84 N -4.71 0.41 0.16 0.07 2.20 -1.26 -4.96 119.74 111.64 1uez s LYS 84 Ca -0.04 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.38 1uez s LYS 84 Cb 0.20 0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 36.53 1uez s LYS 84 CO 0.69 -0.63 0.62 -1.17 -0.36 0.00 0.00 175.35 174.50 1uez s LEU 85 N 2.22 4.39 -0.39 5.43 2.96 -1.24 -5.03 118.68 127.03 1uez s LEU 85 Ca 0.17 1.26 -0.05 0.00 -0.22 0.00 0.00 54.13 55.29 1uez s LEU 85 Cb -0.02 -3.30 0.08 0.00 0.50 0.00 0.00 46.19 43.46 1uez s LEU 85 CO -0.15 0.12 0.18 -0.69 -1.32 0.00 0.00 176.35 174.48 1uez s VAL 86 N -1.39 3.58 -0.24 1.68 1.01 -1.26 -3.54 120.40 120.23 1uez s VAL 86 Ca 0.37 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 1uez s VAL 86 Cb -0.17 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1uez s VAL 86 CO 0.20 -0.48 1.11 -0.76 0.00 0.00 0.00 175.10 175.17 1uez s LEU 87 N 1.28 4.06 -0.47 3.92 2.01 0.54 -0.40 118.68 129.62 1uez s LEU 87 Ca 0.03 1.35 -0.18 0.00 0.01 0.00 0.00 54.13 55.34 1uez s LEU 87 Cb -0.22 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.49 1uez s LEU 87 CO -0.01 -0.76 0.51 -0.44 1.01 0.00 0.00 176.35 176.66 1uez s SER 88 N 1.55 6.20 0.10 2.29 0.01 -0.35 -0.93 113.70 122.56 1uez s SER 88 Ca 0.47 -0.94 0.08 0.00 1.31 0.00 0.00 55.95 56.87 1uez s SER 88 Cb -0.16 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1uez s SER 88 CO 0.11 -0.74 -0.21 0.68 0.41 0.00 0.00 173.24 173.49 1uez s VAL 89 N 2.24 1.71 -0.42 3.43 -7.23 -1.19 0.54 120.40 119.48 1uez s VAL 89 Ca 0.12 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.61 1uez s VAL 89 Cb -0.20 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.22 1uez s VAL 89 CO 0.11 -0.04 0.37 -0.47 -0.31 0.00 0.00 175.10 174.77 1uez s TYR 90 N -1.13 3.21 0.17 2.82 5.04 -1.14 -0.47 117.35 125.84 1uez s TYR 90 Ca 0.07 -0.53 -0.20 0.00 -2.44 0.00 0.00 57.07 53.96 1uez s TYR 90 Cb -0.10 -2.78 -0.08 0.00 0.35 0.00 0.00 41.96 39.35 1uez s TYR 90 CO 0.04 -0.66 0.68 0.45 -1.34 0.00 0.00 175.55 174.72 1uez s SER 91 N 1.83 7.10 0.27 4.32 0.15 -0.48 -4.59 113.70 122.30 1uez s SER 91 Ca 0.08 1.39 -0.13 0.00 0.70 0.00 0.00 55.95 57.99 1uez s SER 91 Cb -0.19 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1uez s SER 91 CO 0.11 0.13 0.52 0.00 1.20 0.00 0.00 173.24 175.21 1uez s ALA 92 N -1.34 -0.26 -0.51 5.45 0.00 -1.26 -2.73 121.76 121.11 1uez s ALA 92 Ca 0.38 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 1uez s ALA 92 Cb -0.18 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.00 1uez s ALA 92 CO 0.21 -0.87 0.64 0.41 0.00 0.00 0.00 175.76 176.15 1uez n GLY 93 N -0.42 -0.70 1.21 0.00 0.00 -1.26 -4.72 105.19 99.31 1uez n GLY 93 Ca -0.02 1.08 0.15 0.00 0.00 0.00 0.00 46.02 47.23 1uez n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uez n ARG 94 N -0.63 -2.74 -3.48 1.61 5.12 -1.26 -4.87 116.66 110.39 1uez n ARG 94 Ca -0.02 2.19 -0.34 0.00 -1.93 0.00 0.00 57.85 57.75 1uez n ARG 94 Cb 0.58 -3.22 -0.05 0.00 -1.16 0.00 0.00 32.46 28.60 1uez n ARG 94 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1uez s ILE 95 N -3.77 4.99 0.13 0.55 1.10 -1.26 -5.00 121.20 117.94 1uez s ILE 95 Ca 0.00 0.50 -0.32 0.00 -0.51 0.00 0.00 60.65 60.32 1uez s ILE 95 Cb 0.00 -3.66 -0.10 0.00 0.15 0.00 0.00 42.46 38.85 1uez s ILE 95 CO 0.00 0.14 1.53 0.77 -2.11 0.00 0.00 174.94 175.27 1uez h SER 96 N 3.21 -1.84 -5.11 4.50 4.64 -1.91 -3.44 113.55 113.60 1uez h SER 96 Ca -0.48 0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1uez h SER 96 Cb 1.18 0.76 -0.15 0.00 -0.31 0.00 0.00 62.40 63.87 1uez h SER 96 CO 0.68 -0.38 -0.36 -0.83 -0.87 0.00 0.00 176.83 175.07 1uez s GLY 97 N -2.32 0.03 -0.08 -0.77 0.00 -1.26 -5.07 107.32 97.85 1uez s GLY 97 Ca -0.14 -0.41 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 1uez s GLY 97 CO 0.60 -0.60 1.01 -0.56 0.00 0.00 0.00 173.10 173.55 1uez h PRO 98 N 3.05 0.00 -2.32 2.90 0.13 -2.03 -3.45 132.00 130.29 1uez h PRO 98 Ca -0.33 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 1uez h PRO 98 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1uez h PRO 98 CO 0.52 0.75 -0.51 -1.12 -0.23 0.00 0.00 178.00 177.41 1uez s SER 99 N -5.97 0.48 -0.86 1.44 0.01 -1.26 -5.09 113.70 102.46 1uez s SER 99 Ca -0.17 0.29 -0.25 0.00 1.31 0.00 0.00 55.95 57.12 1uez s SER 99 Cb -0.01 0.89 0.02 0.00 0.21 0.00 0.00 66.02 67.13 1uez s SER 99 CO 0.68 -0.29 1.53 -0.55 0.41 0.00 0.00 173.24 175.03 1uez s SER 100 N 2.48 6.00 0.00 2.44 0.15 -1.26 -5.26 113.70 118.24 1uez s SER 100 Ca 0.07 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1uez s SER 100 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1uez s SER 100 CO -0.13 -1.94 0.00 0.61 1.20 0.00 0.00 173.24 172.98