#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 2.49 -0.63 1.61 0.15 -1.26 -5.04 113.70 111.01 1uez s SER 2 Ca 0.00 -0.97 -0.39 0.00 0.70 0.00 0.00 55.95 55.29 1uez s SER 2 Cb 0.00 -0.13 -0.20 0.00 -1.71 0.00 0.00 66.02 63.99 1uez s SER 2 CO 0.00 -0.15 2.26 -1.20 1.20 0.00 0.00 173.24 175.35 1uez n SER 3 N -0.14 0.61 0.00 5.45 7.64 -1.26 -4.53 113.62 121.38 1uez n SER 3 Ca -0.10 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1uez n SER 3 Cb 0.59 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1uez n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uez n GLY 4 N 7.08 -0.92 3.95 0.23 0.00 -1.26 -5.16 105.19 109.11 1uez n GLY 4 Ca 0.57 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.32 1uez n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uez s SER 5 N -4.00 6.11 0.24 1.61 0.01 -1.26 -5.12 113.70 111.29 1uez s SER 5 Ca 0.00 0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.63 1uez s SER 5 Cb 0.00 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 1uez s SER 5 CO 0.00 -0.45 0.09 -0.55 0.41 0.00 0.00 173.24 172.74 1uez s SER 6 N -4.11 1.03 0.00 2.44 0.15 -1.26 -4.92 113.70 107.03 1uez s SER 6 Ca 0.43 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1uez s SER 6 Cb -0.10 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1uez s SER 6 CO 0.37 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1uez n GLY 7 N -0.42 3.59 2.97 9.45 0.00 -1.26 -5.07 105.19 114.46 1uez n GLY 7 Ca -0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -5.22 0.21 0.05 1.61 2.02 -1.26 -5.03 118.70 111.07 1uez s GLU 8 Ca 0.00 0.64 -0.31 0.00 0.02 0.00 0.00 54.97 55.33 1uez s GLU 8 Cb 0.00 -0.29 -0.05 0.00 0.10 0.00 0.00 34.13 33.89 1uez s GLU 8 CO 0.00 -0.41 1.19 0.08 0.02 0.00 0.00 175.26 176.14 1uez s VAL 9 N 2.44 4.10 0.52 2.63 1.01 -1.26 -3.33 120.40 126.52 1uez s VAL 9 Ca 0.04 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1uez s VAL 9 Cb -0.13 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1uez s VAL 9 CO -0.11 0.11 0.73 0.00 0.00 0.00 0.00 175.10 175.83 1uez s ARG 10 N 1.13 2.61 -0.25 2.72 1.70 0.65 -4.94 118.95 122.56 1uez s ARG 10 Ca 0.58 -0.86 0.03 0.00 -0.47 0.00 0.00 55.73 55.00 1uez s ARG 10 Cb -0.29 -2.54 0.06 0.00 -0.57 0.00 0.00 34.95 31.61 1uez s ARG 10 CO 0.29 -0.62 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.27 1uez s LEU 11 N -4.68 3.22 -0.06 -1.89 1.43 -1.26 -2.80 118.68 112.65 1uez s LEU 11 Ca 0.57 -1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1uez s LEU 11 Cb -0.10 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1uez s LEU 11 CO 0.37 -0.19 0.04 -0.69 0.23 0.00 0.00 176.35 176.11 1uez s VAL 12 N 1.16 4.52 -0.09 -1.59 1.01 0.51 -4.91 120.40 121.01 1uez s VAL 12 Ca -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1uez s VAL 12 Cb -0.19 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1uez s VAL 12 CO -0.06 0.51 -0.09 -0.94 0.00 0.00 0.00 175.10 174.52 1uez s SER 13 N -1.20 1.98 -0.09 3.32 1.04 -1.26 0.21 113.70 117.70 1uez s SER 13 Ca 0.17 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.34 1uez s SER 13 Cb -0.12 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1uez s SER 13 CO 0.06 -0.06 -0.22 -0.76 0.98 0.00 0.00 173.24 173.25 1uez s LEU 14 N 1.28 2.00 -0.06 2.42 2.01 -1.07 -4.81 118.68 120.46 1uez s LEU 14 Ca -0.03 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.63 1uez s LEU 14 Cb -0.14 -1.30 0.01 0.00 0.01 0.00 0.00 46.19 44.78 1uez s LEU 14 CO -0.03 0.13 -0.13 0.00 1.01 0.00 0.00 176.35 177.33 1uez s ARG 15 N 0.41 1.72 0.00 1.70 1.04 -1.26 -2.56 118.95 119.99 1uez s ARG 15 Ca -0.18 -0.44 0.00 0.00 -1.04 0.00 0.00 55.73 54.07 1uez s ARG 15 Cb -0.18 -1.43 0.00 0.00 -2.04 0.00 0.00 34.95 31.31 1uez s ARG 15 CO 0.08 0.06 0.00 -2.13 -0.04 0.00 0.00 175.30 173.27 1uez n ARG 16 N 3.71 0.00 -3.41 3.89 0.63 -1.26 -5.03 116.66 115.19 1uez n ARG 16 Ca -0.22 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.72 1uez n ARG 16 Cb 0.52 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.40 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uez s ALA 17 N 0.00 -2.34 0.00 5.13 0.00 -1.26 -4.86 121.76 118.43 1uez s ALA 17 Ca 0.00 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1uez s ALA 17 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1uez s ALA 17 CO 0.00 -1.10 0.00 1.17 0.00 0.00 0.00 175.76 175.83 1uez n LYS 18 N 5.36 0.00 -1.18 0.00 3.00 -1.26 -4.98 118.16 119.10 1uez n LYS 18 Ca -0.08 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.26 1uez n LYS 18 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.55 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uez n ALA 19 N -1.75 2.27 -3.09 3.14 0.00 -1.26 -5.08 120.51 114.75 1uez n ALA 19 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 53.44 51.35 1uez n ALA 19 Cb 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.06 -0.05 0.20 0.00 -3.43 -1.26 -5.17 115.29 105.51 1uez s HIS 20 Ca 0.24 -0.01 0.10 0.00 -0.80 0.00 0.00 55.06 54.59 1uez s HIS 20 Cb 0.27 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1uez s HIS 20 CO -0.12 -0.37 -0.13 -1.83 -2.00 0.00 0.00 174.74 170.29 1uez s GLU 21 N -1.71 1.92 0.00 -0.38 -1.05 -1.26 -4.67 118.70 111.56 1uez s GLU 21 Ca -0.12 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 1uez s GLU 21 Cb -0.05 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 1uez s GLU 21 CO 0.01 0.41 0.00 0.41 0.95 0.00 0.00 175.26 177.04 1uez n GLY 22 N -0.02 2.50 1.36 -3.83 0.00 -1.26 -4.83 105.19 99.11 1uez n GLY 22 Ca -0.10 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 4.66 0.00 0.99 4.77 -1.26 -4.87 117.00 121.29 1uez n LEU 23 Ca 0.00 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 1uez n LEU 23 Cb 0.00 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1uez n LEU 23 CO 0.00 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1uez n GLY 24 N 0.23 3.20 3.21 -0.72 0.00 -1.26 -4.16 105.19 105.68 1uez n GLY 24 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.60 1.97 0.10 1.61 -0.71 -1.26 -1.71 117.98 115.38 1uez s PHE 25 Ca 0.00 -0.49 -0.09 0.00 -1.04 0.00 0.00 56.93 55.31 1uez s PHE 25 Cb 0.00 -1.30 -0.06 0.00 -1.21 0.00 0.00 43.02 40.46 1uez s PHE 25 CO 0.00 -0.12 0.40 -1.12 -1.34 0.00 0.00 175.22 173.04 1uez s SER 26 N -0.24 6.61 0.33 1.98 0.01 0.42 -4.93 113.70 117.88 1uez s SER 26 Ca 0.01 0.76 0.08 0.00 1.31 0.00 0.00 55.95 58.11 1uez s SER 26 Cb -0.11 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1uez s SER 26 CO 0.01 0.13 0.19 0.27 0.41 0.00 0.00 173.24 174.25 1uez s ILE 27 N -1.48 3.22 0.31 1.44 -4.36 -1.26 0.18 121.20 119.26 1uez s ILE 27 Ca 0.35 -1.59 -0.07 0.00 -0.26 0.00 0.00 60.65 59.08 1uez s ILE 27 Cb -0.13 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.53 1uez s ILE 27 CO 0.19 -0.19 0.48 0.00 0.24 0.00 0.00 174.94 175.67 1uez s ARG 28 N -3.89 1.79 0.66 0.37 1.70 0.13 -4.61 118.95 115.11 1uez s ARG 28 Ca 0.38 -1.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 1uez s ARG 28 Cb -0.04 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1uez s ARG 28 CO 0.24 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 174.12 1uez n GLY 29 N -0.49 0.97 0.00 3.88 0.00 -1.26 -2.37 105.19 105.92 1uez n GLY 29 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 3.39 0.28 -0.02 0.00 0.11 -4.47 105.19 104.48 1uez n GLY 30 Ca 0.00 -1.78 0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 0.40 1.61 4.64 -0.34 -0.82 113.55 119.03 1uez h SER 31 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1uez h SER 31 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1uez h SER 31 CO 0.00 0.07 -0.23 1.05 -0.87 0.00 0.00 176.83 176.85 1uez h GLU 32 N 0.00 0.00 0.00 4.77 4.11 -1.83 -1.81 114.58 119.82 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 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1uez h GLU 32 CO 0.01 0.23 -1.13 0.72 0.07 0.00 0.00 179.01 178.91 1uez n HIS 33 N -3.88 0.30 0.00 2.06 8.25 -0.43 -4.94 115.22 116.57 1uez n HIS 33 Ca -0.02 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1uez n HIS 33 Cb 0.32 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 1.34 0.96 3.76 -1.41 0.00 -0.68 -5.03 105.19 104.13 1uez n GLY 34 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 1.22 0.00 1.61 -7.23 -0.50 -4.95 120.40 108.55 1uez s VAL 35 Ca 0.00 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1uez s VAL 35 Cb 0.00 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.75 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 -1.28 0.56 3.14 2.32 0.00 -1.26 -1.83 105.19 106.86 1uez n GLY 36 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 3.01 1.49 -0.07 -0.61 -1.09 -1.26 0.08 121.20 122.75 1uez s ILE 37 Ca 0.00 -0.74 -0.18 0.00 -2.23 0.00 0.00 60.65 57.50 1uez s ILE 37 Cb 0.00 -1.28 0.04 0.00 -1.58 0.00 0.00 42.46 39.64 1uez s ILE 37 CO 0.00 0.43 0.42 -0.31 -1.23 0.00 0.00 174.94 174.25 1uez s TYR 38 N 0.06 -0.37 0.37 3.97 2.02 -1.00 -2.27 117.35 120.13 1uez s TYR 38 Ca -0.05 0.71 -0.28 0.00 -0.37 0.00 0.00 57.07 57.09 1uez s TYR 38 Cb -0.12 0.18 -0.11 0.00 -0.40 0.00 0.00 41.96 41.51 1uez s TYR 38 CO 0.03 -0.38 1.44 0.08 -1.57 0.00 0.00 175.55 175.15 1uez s VAL 39 N -0.82 2.20 -0.06 0.71 1.01 -1.07 0.21 120.40 122.58 1uez s VAL 39 Ca -0.09 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1uez s VAL 39 Cb -0.04 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1uez s VAL 39 CO 0.04 0.05 -0.03 -1.54 0.00 0.00 0.00 175.10 173.62 1uez n SER 40 N 0.51 3.54 -3.78 3.32 3.41 0.48 -3.52 113.62 117.57 1uez n SER 40 Ca 0.01 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.47 1uez n SER 40 Cb 0.40 0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 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 -5.05 0.92 -0.09 1.04 1.98 -0.97 -4.86 118.68 111.66 1uez s LEU 41 Ca -0.07 0.48 -0.02 0.00 -2.89 0.00 0.00 54.13 51.63 1uez s LEU 41 Cb 0.02 1.01 0.03 0.00 0.66 0.00 0.00 46.19 47.92 1uez s LEU 41 CO 0.18 -0.16 0.03 -0.69 -1.89 0.00 0.00 176.35 173.82 1uez s VAL 42 N -0.12 0.24 0.26 1.68 1.01 -1.26 0.16 120.40 122.37 1uez s VAL 42 Ca -0.03 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1uez s VAL 42 Cb -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 1uez s VAL 42 CO 0.01 0.14 1.34 -1.61 0.00 0.00 0.00 175.10 174.98 1uez s GLU 43 N 2.02 4.35 0.47 2.72 2.02 -0.70 -4.91 118.70 124.68 1uez s GLU 43 Ca 0.04 2.17 0.28 0.00 0.02 0.00 0.00 54.97 57.48 1uez s GLU 43 Cb -0.13 -3.13 0.88 0.00 0.10 0.00 0.00 34.13 31.85 1uez s GLU 43 CO -0.05 -0.26 1.80 -1.00 0.02 0.00 0.00 175.26 175.77 1uez h PRO 44 N 4.55 0.00 -0.61 0.39 0.13 -1.98 -3.06 132.00 131.42 1uez h PRO 44 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 1uez h PRO 44 Cb 1.22 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 1uez h PRO 44 CO 0.73 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 1uez n GLY 45 N 0.56 5.35 3.42 1.56 0.00 -1.26 -4.88 105.19 109.94 1uez n GLY 45 Ca 0.02 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.52 3.36 0.35 1.61 1.04 -1.15 -5.02 113.70 111.37 1uez s SER 46 Ca 0.51 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1uez s SER 46 Cb 0.43 -0.25 0.64 0.00 0.10 0.00 0.00 66.02 66.94 1uez s SER 46 CO 0.01 0.07 1.97 0.25 0.98 0.00 0.00 173.24 176.53 1uez h LEU 47 N 2.93 0.65 -0.38 2.42 6.46 -1.88 -2.00 115.31 123.52 1uez h LEU 47 Ca -0.44 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 1uez h LEU 47 Cb 1.22 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.93 1uez h LEU 47 CO 0.52 0.53 -0.01 0.00 -0.62 0.00 0.00 178.44 178.86 1uez h ALA 48 N 1.58 0.34 0.00 1.25 0.00 -1.88 0.66 119.26 121.21 1uez h ALA 48 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1uez h ALA 48 Cb 0.02 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uez h ALA 48 CO -0.03 -0.40 -0.05 1.49 0.00 0.00 0.00 179.25 180.25 1uez h GLU 49 N 0.09 0.00 0.08 0.00 4.22 -1.51 -0.87 114.58 116.59 1uez h GLU 49 Ca 0.18 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.37 1uez h GLU 49 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1uez h GLU 49 CO -0.32 0.05 -1.24 -0.22 -2.18 0.00 0.00 179.01 175.11 1uez h LYS 50 N 0.00 0.17 0.00 1.92 3.64 0.21 -3.13 116.57 119.38 1uez h LYS 50 Ca -0.00 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1uez h LYS 50 Cb 0.35 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1uez h LYS 50 CO 0.01 1.09 0.00 0.39 -2.27 0.00 0.00 179.45 178.67 1uez n GLU 51 N -3.43 0.16 0.00 1.90 -0.58 0.19 -4.83 120.64 114.04 1uez n GLU 51 Ca -0.07 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1uez n GLU 51 Cb 1.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 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 0.44 2.66 3.07 0.62 0.00 -1.07 -4.90 105.19 106.01 1uez n GLY 52 Ca 0.07 0.00 -0.36 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 -4.36 0.00 0.99 7.94 -0.42 -4.93 117.00 116.21 1uez n LEU 53 Ca 0.00 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1uez n LEU 53 Cb 0.00 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1uez n LEU 53 CO 0.00 -4.72 0.00 -1.14 -1.11 0.00 0.00 177.39 170.42 1uez n ARG 54 N 1.70 0.00 -1.70 1.96 0.63 -1.26 -4.49 116.66 113.50 1uez n ARG 54 Ca -0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 1uez n ARG 54 Cb 0.61 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.49 1uez n ARG 54 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1uez s VAL 55 N -2.00 3.09 0.00 5.15 1.01 -1.26 -2.50 120.40 123.89 1uez s VAL 55 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1uez s VAL 55 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1uez s VAL 55 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1uez n GLY 56 N 4.83 4.52 3.25 4.51 0.00 -1.23 -5.02 105.19 116.05 1uez n GLY 56 Ca 0.22 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.55 -3.87 1.61 9.92 -1.04 -4.70 116.55 115.92 1uez n ASP 57 Ca 0.00 -0.02 -0.28 0.00 -0.53 0.00 0.00 54.79 53.96 1uez n ASP 57 Cb 0.00 -0.93 -0.16 0.00 -0.64 0.00 0.00 41.12 39.38 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 -3.24 1.32 -0.61 -1.24 0.74 -1.26 -2.58 119.66 112.80 1uez s GLN 58 Ca 0.53 -0.52 -0.27 0.00 0.05 0.00 0.00 55.36 55.15 1uez s GLN 58 Cb -0.11 -2.03 -0.01 0.00 1.10 0.00 0.00 33.01 31.97 1uez s GLN 58 CO 0.67 -0.47 1.70 0.42 -0.55 0.00 0.00 175.29 177.06 1uez s ILE 59 N 1.65 3.48 -0.13 -2.34 -1.09 -0.96 -2.87 121.20 118.94 1uez s ILE 59 Ca 0.00 0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 58.56 1uez s ILE 59 Cb -0.16 -4.15 -0.15 0.00 -1.58 0.00 0.00 42.46 36.42 1uez s ILE 59 CO -0.07 -1.08 0.41 -0.07 -1.23 0.00 0.00 174.94 172.90 1uez h LEU 60 N 15.25 0.00 -9.17 2.97 3.38 -0.48 -3.40 115.31 123.85 1uez h LEU 60 Ca -0.27 -0.56 -0.52 0.00 0.09 0.00 0.00 57.88 56.62 1uez h LEU 60 Cb 1.13 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1uez h LEU 60 CO 1.21 0.85 -0.69 -0.13 0.09 0.00 0.00 178.44 179.77 1uez s ARG 61 N -1.99 1.58 -0.16 1.13 0.52 -1.18 -2.38 118.95 116.46 1uez s ARG 61 Ca -0.13 -1.79 -0.04 0.00 -0.52 0.00 0.00 55.73 53.25 1uez s ARG 61 Cb -0.01 -1.29 0.07 0.00 0.52 0.00 0.00 34.95 34.24 1uez s ARG 61 CO 0.42 0.09 0.15 0.54 0.02 0.00 0.00 175.30 176.52 1uez s VAL 62 N -2.90 -0.22 0.00 3.52 0.11 -0.04 -2.21 120.40 118.66 1uez s VAL 62 Ca 0.29 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1uez s VAL 62 Cb 0.02 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1uez s VAL 62 CO 0.12 -0.16 0.00 -3.20 -3.33 0.00 0.00 175.10 168.53 1uez n ASN 63 N 5.30 0.00 0.00 3.54 2.85 0.18 -2.59 115.26 124.54 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 -0.67 -2.11 0.00 0.00 177.26 174.48 1uez n ASP 64 N 2.60 0.00 -4.76 1.20 2.03 -1.26 -4.72 116.55 111.63 1uez n ASP 64 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1uez n ASP 64 Cb 0.00 0.17 0.06 0.00 -0.72 0.00 0.00 41.12 40.63 1uez n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1uez s LYS 65 N -1.46 2.61 -0.02 -0.67 2.47 -1.07 -5.01 119.74 116.60 1uez s LYS 65 Ca 0.00 1.47 -0.02 0.00 -1.56 0.00 0.00 55.97 55.87 1uez s LYS 65 Cb 0.00 -1.92 -0.04 0.00 -1.46 0.00 0.00 37.83 34.41 1uez s LYS 65 CO 0.00 -1.41 0.11 -1.54 0.16 0.00 0.00 175.35 172.67 1uez s SER 66 N -2.47 5.92 -0.55 1.43 1.04 -1.26 -0.86 113.70 116.96 1uez s SER 66 Ca 0.69 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.33 1uez s SER 66 Cb -0.22 -1.77 0.26 0.00 0.10 0.00 0.00 66.02 64.38 1uez s SER 66 CO 0.43 0.29 2.23 0.18 0.98 0.00 0.00 173.24 177.35 1uez n LEU 67 N 1.26 7.00 -4.54 2.42 4.77 -1.00 -4.93 117.00 121.98 1uez n LEU 67 Ca -0.13 -4.05 -0.25 0.00 -0.03 0.00 0.00 56.01 51.55 1uez n LEU 67 Cb 0.53 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 1uez n LEU 67 CO 0.38 1.53 1.74 0.00 -1.33 0.00 0.00 177.39 179.71 1uez n ALA 68 N -0.01 0.61 -3.21 -1.18 0.00 -1.26 -3.49 120.51 111.98 1uez n ALA 68 Ca 0.48 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 1uez n ALA 68 Cb 0.53 -2.94 0.01 0.00 0.00 0.00 0.00 19.45 17.04 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 8.12 -0.57 -4.10 0.00 1.74 -1.26 -4.99 116.66 115.60 1uez n ARG 69 Ca 0.52 0.87 -0.14 0.00 -0.77 0.00 0.00 57.85 58.33 1uez n ARG 69 Cb 0.34 -1.15 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.07 0.71 0.80 1.55 -7.23 -1.23 -4.73 120.40 109.21 1uez s VAL 70 Ca 0.07 -1.20 -0.14 0.00 -1.81 0.00 0.00 61.98 58.90 1uez s VAL 70 Cb -0.01 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 36.15 1uez s VAL 70 CO 0.17 -0.37 0.76 0.35 -0.31 0.00 0.00 175.10 175.69 1uez n THR 71 N 1.31 1.53 0.22 5.32 -2.24 -1.26 -1.13 114.28 118.02 1uez n THR 71 Ca -0.22 -0.28 0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1uez n THR 71 Cb 0.55 -0.89 0.82 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.82 0.00 0.00 4.78 2.76 -1.89 0.47 115.15 120.45 1uez h HIS 72 Ca -0.45 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.58 1uez h HIS 72 Cb 1.32 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 1uez h HIS 72 CO 0.40 0.00 -0.67 0.00 -1.30 0.00 0.00 177.93 176.36 1uez h ALA 73 N 1.84 0.74 0.40 5.26 0.00 -1.95 -2.76 119.26 122.80 1uez h ALA 73 Ca 0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1uez h ALA 73 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uez h ALA 73 CO -0.00 0.84 -0.19 0.93 0.00 0.00 0.00 179.25 180.82 1uez h GLU 74 N 0.00 -0.52 -0.59 0.00 4.39 -0.40 -0.64 114.58 116.82 1uez h GLU 74 Ca -0.01 0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.85 1uez h GLU 74 Cb 1.31 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.97 1uez h GLU 74 CO 0.09 -0.30 -0.12 0.00 -1.16 0.00 0.00 179.01 177.52 1uez h ALA 75 N -1.01 0.42 0.05 3.43 0.00 -1.44 0.20 119.26 120.92 1uez h ALA 75 Ca -0.06 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1uez h ALA 75 Cb 0.47 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1uez h ALA 75 CO 0.09 -0.43 -0.13 0.28 0.00 0.00 0.00 179.25 179.07 1uez h VAL 76 N 0.02 0.70 -0.06 0.00 2.07 -1.55 1.34 116.25 118.76 1uez h VAL 76 Ca 0.29 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.83 1uez h VAL 76 Cb 0.45 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1uez h VAL 76 CO -0.59 0.00 0.28 0.11 0.02 0.00 0.00 177.57 177.39 1uez h LYS 77 N -0.24 0.00 0.00 1.57 1.57 0.67 -0.02 116.57 120.12 1uez h LYS 77 Ca 0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1uez h LYS 77 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1uez h LYS 77 CO -0.09 0.00 -1.00 0.00 -0.57 0.00 0.00 179.45 177.79 1uez n ALA 78 N -2.01 0.66 -0.25 3.86 0.00 0.49 -4.57 120.51 118.69 1uez n ALA 78 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1uez n ALA 78 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1uez n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uez n LEU 79 N -4.50 0.00 0.00 0.00 4.77 0.43 -4.87 117.00 112.83 1uez n LEU 79 Ca -0.22 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1uez n LEU 79 Cb 0.51 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1uez n LEU 79 CO 0.15 -0.37 0.00 0.29 -1.33 0.00 0.00 177.39 176.12 1uez n LYS 80 N -2.09 0.00 -3.71 3.23 4.01 -0.12 -4.18 118.16 115.30 1uez n LYS 80 Ca 0.00 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.46 1uez n LYS 80 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 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 -1.98 3.01 -0.22 0.72 0.00 -1.26 -4.89 107.32 102.70 1uez s GLY 81 Ca 0.00 -3.82 -0.07 0.00 0.00 0.00 0.00 44.72 40.83 1uez s GLY 81 CO 0.00 1.16 0.07 -1.35 0.00 0.00 0.00 173.10 172.98 1uez s SER 82 N -0.47 5.37 -0.33 1.64 1.04 -1.26 -4.92 113.70 114.77 1uez s SER 82 Ca 0.26 -0.08 -0.42 0.00 0.48 0.00 0.00 55.95 56.18 1uez s SER 82 Cb -0.07 -1.95 -0.17 0.00 0.10 0.00 0.00 66.02 63.93 1uez s SER 82 CO -0.13 0.05 1.64 0.29 0.98 0.00 0.00 173.24 176.07 1uez n LYS 83 N 4.37 0.69 -2.75 4.02 5.02 -1.26 -1.09 118.16 127.16 1uez n LYS 83 Ca -0.16 0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 1uez n LYS 83 Cb 0.52 -1.86 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 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 4.56 -1.59 -2.47 1.97 4.81 -1.26 -4.91 118.16 119.28 1uez n LYS 84 Ca 0.27 0.66 -0.42 0.00 -0.87 0.00 0.00 58.31 57.95 1uez n LYS 84 Cb 0.06 -4.62 -0.03 0.00 0.02 0.00 0.00 35.03 30.47 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 -4.66 3.40 -0.07 3.14 2.96 -0.25 -4.89 118.68 118.31 1uez s LEU 85 Ca 0.31 0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 54.10 1uez s LEU 85 Cb -0.04 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 1uez s LEU 85 CO 0.53 -1.64 1.29 -0.69 -1.32 0.00 0.00 176.35 174.52 1uez s VAL 86 N 5.67 4.10 -0.19 1.68 1.01 -1.26 -2.58 120.40 128.82 1uez s VAL 86 Ca 0.48 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 1uez s VAL 86 Cb -0.09 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1uez s VAL 86 CO 0.24 -0.04 -0.11 -0.76 0.00 0.00 0.00 175.10 174.43 1uez s LEU 87 N 2.72 2.60 -0.57 3.92 1.43 0.57 0.47 118.68 129.81 1uez s LEU 87 Ca 0.58 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 1uez s LEU 87 Cb -0.26 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.45 1uez s LEU 87 CO 0.21 0.01 0.60 -0.44 0.23 0.00 0.00 176.35 176.96 1uez s SER 88 N 1.26 6.20 -0.06 2.29 0.01 -0.94 -0.36 113.70 122.09 1uez s SER 88 Ca 0.03 -1.65 0.02 0.00 1.31 0.00 0.00 55.95 55.66 1uez s SER 88 Cb -0.14 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1uez s SER 88 CO -0.05 -0.97 -0.09 0.68 0.41 0.00 0.00 173.24 173.22 1uez s VAL 89 N 2.06 3.50 0.01 3.43 -7.23 -1.12 0.27 120.40 121.32 1uez s VAL 89 Ca 0.07 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 1uez s VAL 89 Cb -0.27 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1uez s VAL 89 CO 0.04 0.60 0.37 -0.47 -0.31 0.00 0.00 175.10 175.32 1uez s TYR 90 N -0.79 3.67 -0.20 2.82 5.04 -1.14 -0.26 117.35 126.49 1uez s TYR 90 Ca 0.12 0.86 -0.12 0.00 -2.44 0.00 0.00 57.07 55.49 1uez s TYR 90 Cb -0.11 -2.20 -0.05 0.00 0.35 0.00 0.00 41.96 39.96 1uez s TYR 90 CO 0.01 0.62 0.24 -1.54 -1.34 0.00 0.00 175.55 173.54 1uez s SER 91 N -1.28 6.28 0.72 4.32 1.04 -1.21 -4.18 113.70 119.39 1uez s SER 91 Ca 0.25 0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.96 1uez s SER 91 Cb -0.15 -2.15 0.10 0.00 0.10 0.00 0.00 66.02 63.92 1uez s SER 91 CO 0.14 0.06 1.01 0.00 0.98 0.00 0.00 173.24 175.43 1uez s ALA 92 N 0.84 3.36 -0.98 5.32 0.00 -1.26 -4.19 121.76 124.86 1uez s ALA 92 Ca 0.12 -1.34 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 1uez s ALA 92 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1uez s ALA 92 CO 0.04 -1.43 1.69 0.20 0.00 0.00 0.00 175.76 176.26 1uez s GLY 93 N -4.64 0.77 0.52 0.00 0.00 -1.26 -4.97 107.32 97.74 1uez s GLY 93 Ca 0.64 -1.94 -0.19 0.00 0.00 0.00 0.00 44.72 43.24 1uez s GLY 93 CO 0.45 3.06 1.04 0.50 0.00 0.00 0.00 173.10 178.15 1uez s ARG 94 N 5.90 3.65 -0.28 2.90 3.00 -1.26 -5.04 118.95 127.82 1uez s ARG 94 Ca 0.57 1.31 0.01 0.00 0.00 0.00 0.00 55.73 57.62 1uez s ARG 94 Cb -0.03 -2.07 0.06 0.00 0.00 0.00 0.00 34.95 32.90 1uez s ARG 94 CO -0.05 -0.55 -0.07 0.42 0.00 0.00 0.00 175.30 175.05 1uez s ILE 95 N -2.14 2.48 0.10 1.52 1.01 -1.26 -5.07 121.20 117.83 1uez s ILE 95 Ca 0.66 -1.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 1uez s ILE 95 Cb -0.16 -2.45 0.08 0.00 0.01 0.00 0.00 42.46 39.93 1uez s ILE 95 CO 0.26 -0.07 0.94 -0.55 0.00 0.00 0.00 174.94 175.51 1uez s SER 96 N 1.16 -0.24 0.41 3.58 0.15 -1.26 -5.19 113.70 112.31 1uez s SER 96 Ca -0.07 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.39 1uez s SER 96 Cb -0.20 0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1uez s SER 96 CO -0.04 -0.80 0.11 -0.83 1.20 0.00 0.00 173.24 172.89 1uez s GLY 97 N -2.79 2.40 0.77 9.45 0.00 -1.26 -5.14 107.32 110.77 1uez s GLY 97 Ca 0.10 -2.19 -0.11 0.00 0.00 0.00 0.00 44.72 42.51 1uez s GLY 97 CO -0.02 -1.99 1.09 2.56 0.00 0.00 0.00 173.10 174.74 1uez s PRO 98 N -3.83 2.30 0.12 2.90 0.04 -1.26 -5.08 135.00 130.19 1uez s PRO 98 Ca 0.39 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 1uez s PRO 98 Cb 0.06 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.73 1uez s PRO 98 CO 0.21 -1.49 0.58 -1.54 0.04 0.00 0.00 177.00 174.79 1uez s SER 99 N -3.88 -0.53 0.20 6.66 1.04 -1.26 -5.14 113.70 110.79 1uez s SER 99 Ca 0.60 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.79 1uez s SER 99 Cb -0.14 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 1uez s SER 99 CO 0.54 -0.89 1.27 -0.94 0.98 0.00 0.00 173.24 174.20 1uez s SER 100 N -2.50 6.96 0.00 7.02 1.04 -1.26 -5.36 113.70 119.59 1uez s SER 100 Ca -0.01 2.36 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1uez s SER 100 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1uez s SER 100 CO -0.09 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.26