#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 6.23 -0.30 1.61 1.04 -1.26 -4.92 113.70 116.10 1uez s SER 2 Ca 0.00 -0.95 -0.17 0.00 0.48 0.00 0.00 55.95 55.31 1uez s SER 2 Cb 0.00 -2.32 0.18 0.00 0.10 0.00 0.00 66.02 63.98 1uez s SER 2 CO 0.00 -1.00 1.19 -0.94 0.98 0.00 0.00 173.24 173.46 1uez s SER 3 N 2.94 -0.12 0.44 7.02 1.04 -1.26 -5.16 113.70 118.60 1uez s SER 3 Ca 0.17 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.46 1uez s SER 3 Cb -0.19 1.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.92 1uez s SER 3 CO 0.12 -0.02 0.92 -0.83 0.98 0.00 0.00 173.24 174.41 1uez s GLY 4 N 2.99 2.25 -0.08 7.32 0.00 -1.26 -5.06 107.32 113.48 1uez s GLY 4 Ca 0.09 0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.74 1uez s GLY 4 CO -0.14 0.51 1.32 -0.56 0.00 0.00 0.00 173.10 174.24 1uez s SER 5 N -2.53 -0.05 0.15 1.64 0.01 -1.26 -5.19 113.70 106.46 1uez s SER 5 Ca 0.59 -0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.64 1uez s SER 5 Cb -0.10 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1uez s SER 5 CO 0.20 -0.20 0.39 -0.55 0.41 0.00 0.00 173.24 173.49 1uez s SER 6 N -2.80 -0.14 0.00 2.44 0.15 -1.26 -5.16 113.70 106.93 1uez s SER 6 Ca 0.13 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1uez s SER 6 Cb 0.04 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1uez s SER 6 CO -0.05 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1uez n GLY 7 N -0.24 1.39 0.00 9.45 0.00 -1.26 -5.18 105.19 109.36 1uez n GLY 7 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1uez n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uez n GLU 8 N 0.00 0.00 -4.63 1.61 -0.58 -1.26 -5.07 120.64 110.70 1uez n GLU 8 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1uez n GLU 8 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 1uez n GLU 8 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1uez s VAL 9 N -2.00 3.38 0.45 2.62 1.01 -1.26 -1.85 120.40 122.75 1uez s VAL 9 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1uez s VAL 9 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1uez s VAL 9 CO 0.00 0.51 0.65 0.00 0.00 0.00 0.00 175.10 176.27 1uez s ARG 10 N 0.34 2.97 -0.28 2.72 1.70 0.11 -4.96 118.95 121.54 1uez s ARG 10 Ca -0.08 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 54.55 1uez s ARG 10 Cb -0.15 -2.59 0.07 0.00 -0.57 0.00 0.00 34.95 31.71 1uez s ARG 10 CO 0.05 -0.30 -0.03 -0.51 -1.08 0.00 0.00 175.30 173.42 1uez s LEU 11 N -4.53 3.56 -0.03 -1.89 1.43 -1.26 -2.71 118.68 113.25 1uez s LEU 11 Ca 0.50 -1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 51.94 1uez s LEU 11 Cb -0.10 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1uez s LEU 11 CO 0.37 -0.27 0.22 -0.69 0.23 0.00 0.00 176.35 176.20 1uez s VAL 12 N 1.15 5.38 -0.09 -1.59 1.01 0.74 -4.91 120.40 122.07 1uez s VAL 12 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1uez s VAL 12 Cb -0.19 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1uez s VAL 12 CO -0.08 0.43 -0.11 -0.55 0.00 0.00 0.00 175.10 174.79 1uez s SER 13 N -1.58 2.07 0.18 3.32 0.15 -1.26 0.20 113.70 116.79 1uez s SER 13 Ca 0.24 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.66 1uez s SER 13 Cb -0.13 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 1uez s SER 13 CO 0.14 -0.03 -0.21 -0.76 1.20 0.00 0.00 173.24 173.57 1uez s LEU 14 N 1.15 2.44 0.77 3.45 2.01 -1.21 -4.75 118.68 122.53 1uez s LEU 14 Ca -0.05 -0.86 -0.11 0.00 0.01 0.00 0.00 54.13 53.12 1uez s LEU 14 Cb -0.14 -1.01 0.06 0.00 0.01 0.00 0.00 46.19 45.11 1uez s LEU 14 CO -0.02 0.05 1.13 -0.13 1.01 0.00 0.00 176.35 178.38 1uez s ARG 15 N -2.72 2.19 -1.05 1.70 0.52 -1.26 -4.30 118.95 114.03 1uez s ARG 15 Ca 0.18 0.10 -0.08 0.00 -0.52 0.00 0.00 55.73 55.42 1uez s ARG 15 Cb -0.07 -2.01 -0.13 0.00 0.52 0.00 0.00 34.95 33.26 1uez s ARG 15 CO 0.08 -1.41 2.96 2.89 0.02 0.00 0.00 175.30 179.85 1uez n ARG 16 N -3.17 2.92 -1.17 3.54 1.85 -1.26 -4.58 116.66 114.79 1uez n ARG 16 Ca 0.08 -1.71 0.03 0.00 -1.00 0.00 0.00 57.85 55.25 1uez n ARG 16 Cb 0.60 -2.50 -0.02 0.00 -1.05 0.00 0.00 32.46 29.49 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uez n ALA 17 N 3.36 -1.91 0.00 2.89 0.00 -0.96 -5.03 120.51 118.87 1uez n ALA 17 Ca 0.62 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.52 1uez n ALA 17 Cb 0.40 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1uez n ALA 17 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1uez n LYS 18 N -2.69 0.00 -1.44 0.00 2.85 -1.26 -4.95 118.16 110.67 1uez n LYS 18 Ca -0.02 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.27 1uez n LYS 18 Cb 0.41 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.80 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 -1.56 2.48 -3.36 0.58 0.00 -1.26 -5.10 120.51 112.29 1uez n ALA 19 Ca 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 53.44 51.23 1uez n ALA 19 Cb 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1uez n ALA 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1uez n HIS 20 N 0.45 -1.04 -3.15 0.00 1.44 -1.26 -5.06 115.22 106.59 1uez n HIS 20 Ca 0.03 -0.82 -0.33 0.00 -2.01 0.00 0.00 57.72 54.59 1uez n HIS 20 Cb 1.10 0.25 -0.04 0.00 0.12 0.00 0.00 29.99 31.43 1uez n HIS 20 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1uez n GLU 21 N -0.21 3.50 0.00 -1.40 0.28 -1.26 -4.93 120.64 116.63 1uez n GLU 21 Ca -0.01 -4.67 0.00 0.00 -0.16 0.00 0.00 57.16 52.32 1uez n GLU 21 Cb 0.22 -2.35 0.00 0.00 1.43 0.00 0.00 31.44 30.74 1uez n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uez n GLY 22 N 0.75 0.94 0.29 -1.84 0.00 -1.26 -4.70 105.19 99.36 1uez n GLY 22 Ca 0.30 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 1.60 0.00 0.99 4.77 -1.26 -2.26 117.00 120.84 1uez n LEU 23 Ca 0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1uez n LEU 23 Cb 0.00 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uez n LEU 23 CO 0.00 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1uez n GLY 24 N 0.40 2.03 3.30 -0.72 0.00 -1.26 -4.55 105.19 104.39 1uez n GLY 24 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.12 2.63 0.10 1.61 -0.71 -1.26 -3.07 117.98 115.16 1uez s PHE 25 Ca 0.00 -0.76 -0.16 0.00 -1.04 0.00 0.00 56.93 54.97 1uez s PHE 25 Cb 0.00 -1.72 -0.07 0.00 -1.21 0.00 0.00 43.02 40.02 1uez s PHE 25 CO 0.00 -0.25 0.54 -1.12 -1.34 0.00 0.00 175.22 173.05 1uez s SER 26 N 0.14 6.91 0.32 1.98 0.01 0.57 -4.94 113.70 118.70 1uez s SER 26 Ca -0.10 1.14 0.07 0.00 1.31 0.00 0.00 55.95 58.36 1uez s SER 26 Cb -0.16 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1uez s SER 26 CO 0.06 0.19 0.31 0.27 0.41 0.00 0.00 173.24 174.49 1uez s ILE 27 N -1.29 3.85 0.16 1.44 -4.36 -1.26 0.11 121.20 119.85 1uez s ILE 27 Ca 0.33 -1.29 -0.14 0.00 -0.26 0.00 0.00 60.65 59.29 1uez s ILE 27 Cb -0.17 -3.29 0.02 0.00 1.25 0.00 0.00 42.46 40.27 1uez s ILE 27 CO 0.18 -0.20 0.39 0.00 0.24 0.00 0.00 174.94 175.55 1uez s ARG 28 N -4.00 1.19 0.10 0.37 1.70 0.11 -4.60 118.95 113.81 1uez s ARG 28 Ca 0.40 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1uez s ARG 28 Cb -0.07 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1uez s ARG 28 CO 0.27 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.44 1uez n GLY 29 N -0.25 1.03 0.00 3.88 0.00 -1.26 -2.06 105.19 106.53 1uez n GLY 29 Ca -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 2.51 2.26 -0.02 0.00 0.39 -4.30 105.19 106.03 1uez n GLY 30 Ca 0.00 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 1uez n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uez n SER 31 N 0.00 6.19 0.00 1.61 2.88 -0.56 -3.28 113.62 120.46 1uez n SER 31 Ca 0.00 -2.42 0.00 0.00 -1.33 0.00 0.00 58.87 55.12 1uez n SER 31 Cb 0.00 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.14 1uez n SER 31 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uez n GLU 32 N 3.25 0.00 0.05 -1.46 2.13 -1.26 -4.40 120.64 118.95 1uez n GLU 32 Ca 0.54 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.47 1uez n GLU 32 Cb 0.46 -0.63 0.01 0.00 0.27 0.00 0.00 31.44 31.55 1uez n GLU 32 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1uez n HIS 33 N -2.31 0.51 0.00 4.31 8.25 -1.22 -4.95 115.22 119.82 1uez n HIS 33 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1uez n HIS 33 Cb 0.29 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 1.29 0.97 0.00 -1.41 0.00 -1.25 -5.12 105.19 99.66 1uez n GLY 34 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1uez n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uez n VAL 35 N 0.00 0.00 0.00 1.61 0.24 -1.20 -5.07 118.33 113.90 1uez n VAL 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1uez n VAL 35 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1uez n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uez n GLY 36 N 2.56 4.48 2.72 7.63 0.00 -1.26 -4.41 105.19 116.90 1uez n GLY 36 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 3.46 0.75 0.15 -0.61 -1.09 -1.26 0.15 121.20 122.75 1uez s ILE 37 Ca 0.00 -1.22 0.11 0.00 -2.23 0.00 0.00 60.65 57.31 1uez s ILE 37 Cb 0.00 -1.52 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1uez s ILE 37 CO 0.00 -0.60 -0.25 -0.31 -1.23 0.00 0.00 174.94 172.54 1uez s TYR 38 N 1.69 2.23 0.54 3.97 2.02 -0.88 0.31 117.35 127.23 1uez s TYR 38 Ca 0.08 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.19 1uez s TYR 38 Cb -0.17 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 1uez s TYR 38 CO -0.24 0.37 1.25 0.08 -1.57 0.00 0.00 175.55 175.44 1uez s VAL 39 N -1.28 2.59 -0.04 0.71 1.01 -1.10 0.05 120.40 122.34 1uez s VAL 39 Ca 0.15 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1uez s VAL 39 Cb -0.09 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1uez s VAL 39 CO 0.07 -0.03 -0.03 -1.54 0.00 0.00 0.00 175.10 173.56 1uez n SER 40 N -1.06 3.73 -3.81 3.32 3.41 0.31 -3.62 113.62 115.91 1uez n SER 40 Ca 0.11 -0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.57 1uez n SER 40 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 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 -5.14 1.20 -0.08 1.04 1.98 -0.96 -4.86 118.68 111.86 1uez s LEU 41 Ca -0.05 0.26 -0.02 0.00 -2.89 0.00 0.00 54.13 51.43 1uez s LEU 41 Cb 0.01 0.81 0.03 0.00 0.66 0.00 0.00 46.19 47.71 1uez s LEU 41 CO 0.10 -0.19 0.02 -0.69 -1.89 0.00 0.00 176.35 173.70 1uez s VAL 42 N -0.40 0.26 0.12 1.68 1.01 -1.26 -0.31 120.40 121.50 1uez s VAL 42 Ca -0.05 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1uez s VAL 42 Cb -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 1uez s VAL 42 CO 0.01 0.20 1.49 -1.61 0.00 0.00 0.00 175.10 175.19 1uez s GLU 43 N 2.01 4.26 0.49 2.72 2.02 -1.17 -4.89 118.70 124.14 1uez s GLU 43 Ca 0.05 2.20 0.28 0.00 0.02 0.00 0.00 54.97 57.52 1uez s GLU 43 Cb -0.13 -3.28 0.84 0.00 0.10 0.00 0.00 34.13 31.67 1uez s GLU 43 CO -0.05 -0.54 1.79 -1.00 0.02 0.00 0.00 175.26 175.48 1uez h PRO 44 N 7.05 0.00 -0.58 0.39 0.13 -1.99 -3.05 132.00 133.95 1uez h PRO 44 Ca -0.42 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1uez h PRO 44 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1uez h PRO 44 CO 0.89 0.02 0.05 0.41 -0.23 0.00 0.00 178.00 179.14 1uez n GLY 45 N 0.56 5.16 3.27 1.56 0.00 -1.26 -4.87 105.19 109.61 1uez n GLY 45 Ca 0.02 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1uez n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uez n SER 46 N -1.06 3.06 -0.00 1.61 3.41 -1.15 -5.07 113.62 114.42 1uez n SER 46 Ca 0.42 -2.89 -0.18 0.00 -0.26 0.00 0.00 58.87 55.96 1uez n SER 46 Cb 1.08 0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 65.11 1uez n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1uez h LEU 47 N 0.00 0.27 -0.61 1.04 5.85 -1.87 -3.20 115.31 116.78 1uez h LEU 47 Ca -0.36 -0.95 0.08 0.00 0.84 0.00 0.00 57.88 57.50 1uez h LEU 47 Cb 1.13 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.97 1uez h LEU 47 CO 0.58 1.26 -0.47 0.00 -0.34 0.00 0.00 178.44 179.47 1uez h ALA 48 N 0.02 -0.41 -0.96 1.25 0.00 -1.86 1.44 119.26 118.75 1uez h ALA 48 Ca -0.10 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1uez h ALA 48 Cb 1.40 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 20.14 1uez h ALA 48 CO 0.08 -0.88 0.61 1.49 0.00 0.00 0.00 179.25 180.55 1uez h GLU 49 N -0.23 0.64 0.00 0.00 4.22 -1.69 0.76 114.58 118.28 1uez h GLU 49 Ca 0.17 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.46 1uez h GLU 49 Cb 0.56 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1uez h GLU 49 CO -0.71 0.43 -0.52 0.87 -2.18 0.00 0.00 179.01 176.89 1uez h LYS 50 N 0.66 0.00 0.00 1.92 1.57 0.58 -2.68 116.57 118.62 1uez h LYS 50 Ca 0.52 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.29 1uez h LYS 50 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1uez h LYS 50 CO -0.28 0.52 -0.04 0.93 -0.57 0.00 0.00 179.45 180.02 1uez h GLU 51 N 0.00 0.00 0.00 3.15 4.39 0.80 -3.46 114.58 119.45 1uez h GLU 51 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1uez h GLU 51 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1uez h GLU 51 CO 0.07 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.36 1uez n GLY 52 N 0.46 1.45 3.10 -3.84 0.00 -0.08 -4.94 105.19 101.34 1uez n GLY 52 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.44 0.00 0.99 7.94 -0.76 -4.91 117.00 116.82 1uez n LEU 53 Ca 0.00 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1uez n LEU 53 Cb 0.00 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1uez n LEU 53 CO 0.00 -3.82 0.00 -1.14 -1.11 0.00 0.00 177.39 171.32 1uez n ARG 54 N 1.12 0.00 -1.73 1.96 3.00 -1.26 -4.43 116.66 115.32 1uez n ARG 54 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.42 1uez n ARG 54 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.08 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 3.13 0.00 5.15 1.01 -1.26 -2.21 120.40 124.22 1uez s VAL 55 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1uez s VAL 55 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.27 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 4.64 2.19 3.03 4.51 0.00 -1.24 -5.00 105.19 113.32 1uez n GLY 56 Ca 0.21 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.44 -3.65 1.61 8.00 -0.94 -4.66 116.55 113.47 1uez n ASP 57 Ca 0.00 -0.57 -0.19 0.00 0.71 0.00 0.00 54.79 54.73 1uez n ASP 57 Cb 0.00 -0.82 -0.17 0.00 -0.02 0.00 0.00 41.12 40.11 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 -4.00 -0.01 -1.06 -1.24 -0.44 -1.26 -2.70 119.66 108.94 1uez s GLN 58 Ca 0.44 0.38 -0.22 0.00 -2.50 0.00 0.00 55.36 53.46 1uez s GLN 58 Cb -0.08 -0.61 -0.00 0.00 -1.64 0.00 0.00 33.01 30.69 1uez s GLN 58 CO 0.37 -0.37 1.74 0.42 0.50 0.00 0.00 175.29 177.94 1uez s ILE 59 N 2.22 3.75 0.05 -2.34 -1.09 0.15 -2.99 121.20 120.94 1uez s ILE 59 Ca 0.04 -0.88 -0.27 0.00 -2.23 0.00 0.00 60.65 57.30 1uez s ILE 59 Cb -0.13 -4.68 -0.17 0.00 -1.58 0.00 0.00 42.46 35.90 1uez s ILE 59 CO -0.05 -1.49 1.51 -0.07 -1.23 0.00 0.00 174.94 173.61 1uez h LEU 60 N 15.17 -0.40 -9.41 2.97 3.38 -0.90 -3.42 115.31 122.69 1uez h LEU 60 Ca 0.22 -0.07 -0.54 0.00 0.09 0.00 0.00 57.88 57.58 1uez h LEU 60 Cb 0.97 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1uez h LEU 60 CO 1.33 -0.18 -0.60 -0.13 0.09 0.00 0.00 178.44 178.95 1uez s ARG 61 N -5.56 1.79 -0.22 1.13 0.52 -1.15 -2.54 118.95 112.91 1uez s ARG 61 Ca -0.15 -2.00 -0.04 0.00 -0.52 0.00 0.00 55.73 53.02 1uez s ARG 61 Cb 0.04 -1.19 0.09 0.00 0.52 0.00 0.00 34.95 34.41 1uez s ARG 61 CO 0.61 -0.14 0.18 0.54 0.02 0.00 0.00 175.30 176.52 1uez s VAL 62 N -3.05 -0.24 0.00 3.52 0.11 0.13 -2.03 120.40 118.83 1uez s VAL 62 Ca 0.36 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1uez s VAL 62 Cb 0.09 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1uez s VAL 62 CO 0.16 -0.34 0.00 -3.20 -3.33 0.00 0.00 175.10 168.39 1uez n ASN 63 N 5.30 0.00 0.00 3.54 2.85 0.73 -2.07 115.26 125.62 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 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1uez n ASN 63 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1uez n ASP 64 N 1.66 0.00 -4.73 1.20 8.00 -1.26 -4.68 116.55 116.74 1uez n ASP 64 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1uez n ASP 64 Cb 0.00 0.11 0.12 0.00 -0.02 0.00 0.00 41.12 41.33 1uez n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1uez s LYS 65 N -1.58 1.68 -0.13 -1.24 1.02 -0.88 -5.03 119.74 113.58 1uez s LYS 65 Ca 0.00 1.24 0.02 0.00 0.02 0.00 0.00 55.97 57.25 1uez s LYS 65 Cb 0.00 -1.83 -0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1uez s LYS 65 CO 0.00 -2.07 -0.18 0.45 -0.92 0.00 0.00 175.35 172.62 1uez s SER 66 N -3.15 3.49 -0.27 2.83 0.15 -1.26 0.17 113.70 115.67 1uez s SER 66 Ca 0.63 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 1uez s SER 66 Cb -0.19 -1.51 0.01 0.00 -1.71 0.00 0.00 66.02 62.62 1uez s SER 66 CO 0.57 0.13 2.73 0.18 1.20 0.00 0.00 173.24 178.04 1uez n LEU 67 N 3.76 6.07 -4.55 3.45 7.99 -1.05 -4.88 117.00 127.78 1uez n LEU 67 Ca -0.19 -3.51 -0.38 0.00 -0.01 0.00 0.00 56.01 51.92 1uez n LEU 67 Cb 0.52 -1.23 -0.03 0.00 -0.11 0.00 0.00 43.42 42.57 1uez n LEU 67 CO 0.29 1.53 1.53 0.00 -1.51 0.00 0.00 177.39 179.23 1uez s ALA 68 N -0.92 2.20 -0.85 -1.18 0.00 -1.26 -3.61 121.76 116.14 1uez s ALA 68 Ca 0.49 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1uez s ALA 68 Cb 0.30 -4.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1uez s ALA 68 CO -0.10 -3.91 0.75 -2.13 0.00 0.00 0.00 175.76 170.37 1uez n ARG 69 N 9.18 -1.53 -4.39 0.00 0.63 -1.26 -5.03 116.66 114.26 1uez n ARG 69 Ca 0.20 1.19 -0.19 0.00 -0.92 0.00 0.00 57.85 58.13 1uez n ARG 69 Cb 0.51 -5.27 -0.15 0.00 0.45 0.00 0.00 32.46 28.00 1uez n ARG 69 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1uez s VAL 70 N -3.12 0.75 1.01 5.15 -7.23 -1.24 -4.74 120.40 110.99 1uez s VAL 70 Ca 0.14 -0.39 -0.20 0.00 -1.81 0.00 0.00 61.98 59.72 1uez s VAL 70 Cb -0.03 -0.64 -0.08 0.00 0.56 0.00 0.00 36.38 36.19 1uez s VAL 70 CO 0.77 0.22 -0.64 0.35 -0.31 0.00 0.00 175.10 175.50 1uez n THR 71 N 2.98 0.00 -0.34 5.32 -2.24 -1.26 -1.49 114.28 117.25 1uez n THR 71 Ca -0.15 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.34 1uez n THR 71 Cb 0.56 -0.24 0.10 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.32 1.24 -0.78 4.78 2.76 -1.87 -1.78 115.15 118.18 1uez h HIS 72 Ca -0.44 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.65 1uez h HIS 72 Cb 1.34 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 1uez h HIS 72 CO 0.17 0.85 0.29 0.00 -1.30 0.00 0.00 177.93 177.94 1uez h ALA 73 N 1.29 1.02 0.19 5.26 0.00 -1.93 -0.05 119.26 125.03 1uez h ALA 73 Ca 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uez h ALA 73 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1uez h ALA 73 CO -0.05 0.67 -0.25 0.93 0.00 0.00 0.00 179.25 180.54 1uez h GLU 74 N 1.14 -0.44 -0.24 0.00 4.39 -1.63 1.38 114.58 119.18 1uez h GLU 74 Ca 0.26 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.04 1uez h GLU 74 Cb 0.25 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 1uez h GLU 74 CO -0.02 -0.29 -0.15 0.00 -1.16 0.00 0.00 179.01 177.39 1uez h ALA 75 N -1.26 0.03 0.04 3.43 0.00 -1.42 -1.29 119.26 118.80 1uez h ALA 75 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1uez h ALA 75 Cb 0.41 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1uez h ALA 75 CO -0.06 -0.56 -0.46 0.28 0.00 0.00 0.00 179.25 178.45 1uez h VAL 76 N -0.13 0.10 -0.48 0.00 2.07 -0.75 1.63 116.25 118.69 1uez h VAL 76 Ca 0.13 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.79 1uez h VAL 76 Cb 0.33 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1uez h VAL 76 CO -0.32 0.00 0.70 0.11 0.02 0.00 0.00 177.57 178.08 1uez h LYS 77 N -0.64 0.00 0.09 1.57 1.57 0.25 0.67 116.57 120.07 1uez h LYS 77 Ca 0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 1uez h LYS 77 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1uez h LYS 77 CO -0.31 0.00 -1.75 0.00 -0.57 0.00 0.00 179.45 176.82 1uez h ALA 78 N 1.06 0.37 -1.00 3.86 0.00 0.13 -3.43 119.26 120.25 1uez h ALA 78 Ca 0.23 -1.32 -0.33 0.00 0.00 0.00 0.00 54.91 53.48 1uez h ALA 78 Cb 1.61 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 20.08 1uez h ALA 78 CO -0.00 1.11 0.91 -0.51 0.00 0.00 0.00 179.25 180.76 1uez s LEU 79 N -7.32 3.18 0.00 0.00 1.43 0.50 -4.48 118.68 111.99 1uez s LEU 79 Ca -0.24 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1uez s LEU 79 Cb 0.06 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1uez s LEU 79 CO 0.72 -2.83 0.00 0.29 0.23 0.00 0.00 176.35 174.76 1uez n LYS 80 N 8.97 0.00 0.00 1.70 4.01 -1.26 -4.85 118.16 126.73 1uez n LYS 80 Ca 0.35 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.15 1uez n LYS 80 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1uez n LYS 80 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uez n GLY 81 N 0.00 2.84 1.20 0.72 0.00 -1.26 -4.78 105.19 103.91 1uez n GLY 81 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1uez n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uez n SER 82 N 0.00 -1.60 -3.33 1.61 2.88 -1.26 -4.08 113.62 107.84 1uez n SER 82 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1uez n SER 82 Cb 0.00 -0.78 0.02 0.00 -0.75 0.00 0.00 64.21 62.70 1uez n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1uez n LYS 83 N -0.82 -1.43 -2.17 -1.46 5.02 -1.26 -4.44 118.16 111.60 1uez n LYS 83 Ca 0.00 1.29 0.00 0.00 -2.02 0.00 0.00 58.31 57.58 1uez n LYS 83 Cb 0.40 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 0.37 -4.66 -2.72 1.97 4.81 -1.26 -4.85 118.16 111.81 1uez n LYS 84 Ca -0.04 3.43 -0.43 0.00 -0.87 0.00 0.00 58.31 60.40 1uez n LYS 84 Cb 0.58 -4.22 -0.03 0.00 0.02 0.00 0.00 35.03 31.37 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 -0.53 3.87 -0.51 3.14 2.96 -1.26 -4.94 118.68 121.41 1uez s LEU 85 Ca 0.00 0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 54.20 1uez s LEU 85 Cb 0.00 -3.37 0.09 0.00 0.50 0.00 0.00 46.19 43.41 1uez s LEU 85 CO 0.00 -1.05 0.50 -0.69 -1.32 0.00 0.00 176.35 173.79 1uez s VAL 86 N 3.91 5.12 -0.13 1.68 1.01 -1.26 -3.30 120.40 127.42 1uez s VAL 86 Ca 0.42 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1uez s VAL 86 Cb -0.10 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1uez s VAL 86 CO 0.25 -0.77 1.06 -0.76 0.00 0.00 0.00 175.10 174.88 1uez s LEU 87 N 1.93 4.21 -0.39 3.92 2.01 0.54 -0.19 118.68 130.72 1uez s LEU 87 Ca 0.07 1.55 -0.15 0.00 0.01 0.00 0.00 54.13 55.60 1uez s LEU 87 Cb -0.25 -3.55 0.01 0.00 0.01 0.00 0.00 46.19 42.41 1uez s LEU 87 CO 0.06 -0.54 0.31 -0.44 1.01 0.00 0.00 176.35 176.76 1uez s SER 88 N 1.23 6.12 0.07 2.29 0.01 -0.86 -0.19 113.70 122.37 1uez s SER 88 Ca 0.49 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 57.13 1uez s SER 88 Cb -0.19 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1uez s SER 88 CO 0.15 -0.41 -0.16 0.68 0.41 0.00 0.00 173.24 173.92 1uez s VAL 89 N 1.80 1.24 -0.01 3.43 -7.23 -1.10 -0.27 120.40 118.27 1uez s VAL 89 Ca 0.07 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1uez s VAL 89 Cb -0.18 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1uez s VAL 89 CO 0.11 -0.16 0.01 -0.47 -0.31 0.00 0.00 175.10 174.27 1uez s TYR 90 N -1.20 3.09 0.07 2.82 5.04 -1.16 0.06 117.35 126.08 1uez s TYR 90 Ca 0.00 0.10 -0.09 0.00 -2.44 0.00 0.00 57.07 54.64 1uez s TYR 90 Cb -0.10 -1.68 -0.06 0.00 0.35 0.00 0.00 41.96 40.47 1uez s TYR 90 CO 0.03 0.47 0.38 0.45 -1.34 0.00 0.00 175.55 175.53 1uez s SER 91 N -1.52 6.61 -0.39 4.32 0.15 -0.77 -4.32 113.70 117.77 1uez s SER 91 Ca 0.19 0.74 0.11 0.00 0.70 0.00 0.00 55.95 57.69 1uez s SER 91 Cb -0.12 -2.16 0.38 0.00 -1.71 0.00 0.00 66.02 62.42 1uez s SER 91 CO 0.10 0.18 1.05 0.00 1.20 0.00 0.00 173.24 175.77 1uez n ALA 92 N 0.90 1.42 0.00 5.45 0.00 -1.26 -4.43 120.51 122.59 1uez n ALA 92 Ca -0.08 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1uez n ALA 92 Cb 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1uez n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uez n GLY 93 N -0.01 4.50 0.18 0.00 0.00 -1.26 -4.95 105.19 103.65 1uez n GLY 93 Ca 0.09 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.38 0.00 1.61 9.65 -2.05 -3.46 114.38 120.51 1uez h ARG 94 Ca 0.00 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1uez h ARG 94 Cb 0.00 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1uez h ARG 94 CO 0.00 0.88 0.00 -0.89 2.80 0.00 0.00 179.97 182.76 1uez n ILE 95 N -3.89 0.00 -0.41 1.20 2.08 -1.26 -4.84 119.36 112.23 1uez n ILE 95 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1uez n ILE 95 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.53 1uez n ILE 95 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1uez n SER 96 N 1.85 -2.65 -3.85 4.38 2.88 -1.26 -5.09 113.62 109.88 1uez n SER 96 Ca 0.00 0.39 -0.09 0.00 -1.33 0.00 0.00 58.87 57.84 1uez n SER 96 Cb 0.00 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 1uez n SER 96 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uez s GLY 97 N -2.89 0.07 0.76 0.46 0.00 -1.26 -5.17 107.32 99.29 1uez s GLY 97 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 1uez s GLY 97 CO 0.00 -0.66 1.08 2.56 0.00 0.00 0.00 173.10 176.08 1uez s PRO 98 N -3.34 2.38 -0.15 2.90 0.04 -1.26 -5.02 135.00 130.55 1uez s PRO 98 Ca 0.01 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1uez s PRO 98 Cb 0.02 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1uez s PRO 98 CO -0.08 -1.44 -0.03 1.03 0.04 0.00 0.00 177.00 176.52 1uez h SER 99 N -0.96 0.00 -0.40 6.66 0.87 -2.06 -3.48 113.55 114.18 1uez h SER 99 Ca -0.46 -0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.15 1uez h SER 99 Cb 1.25 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.01 1uez h SER 99 CO 0.58 0.86 -0.04 -0.44 -0.53 0.00 0.00 176.83 177.27 1uez s SER 100 N -5.94 -0.63 0.00 6.23 0.01 -1.26 -5.25 113.70 106.87 1uez s SER 100 Ca -0.15 0.15 0.17 0.00 1.31 0.00 0.00 55.95 57.43 1uez s SER 100 Cb 0.02 1.43 0.13 0.00 0.21 0.00 0.00 66.02 67.81 1uez s SER 100 CO 0.27 -0.12 1.04 0.61 0.41 0.00 0.00 173.24 175.46