#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uez n SER 2 N 0.00 -5.25 -4.27 1.61 7.64 -1.26 -4.84 113.62 107.26 1uez n SER 2 Ca 0.00 1.04 -0.38 0.00 1.01 0.00 0.00 58.87 60.54 1uez n SER 2 Cb 0.00 -3.20 0.03 0.00 -1.01 0.00 0.00 64.21 60.03 1uez n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uez n SER 3 N -3.21 -3.37 0.00 6.43 7.64 -1.26 -4.66 113.62 115.19 1uez n SER 3 Ca -0.05 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1uez n SER 3 Cb 0.42 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 2.45 -1.41 3.95 0.23 0.00 -1.26 -5.14 105.19 104.02 1uez n GLY 4 Ca 0.07 0.46 -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 -3.98 5.71 0.38 1.61 0.01 -1.26 -5.12 113.70 111.06 1uez s SER 5 Ca 0.00 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.60 1uez s SER 5 Cb 0.00 -1.42 -0.06 0.00 0.21 0.00 0.00 66.02 64.75 1uez s SER 5 CO 0.00 -0.81 0.08 -0.55 0.41 0.00 0.00 173.24 172.38 1uez s SER 6 N -4.26 4.24 0.00 2.44 0.15 -1.26 -5.10 113.70 109.91 1uez s SER 6 Ca 0.50 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1uez s SER 6 Cb -0.10 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1uez s SER 6 CO 0.38 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1uez n GLY 7 N -1.08 3.75 2.88 9.45 0.00 -1.26 -5.12 105.19 113.81 1uez n GLY 7 Ca -0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.86 0.69 -0.06 1.61 2.02 -1.26 -5.11 118.70 111.73 1uez s GLU 8 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 1uez s GLU 8 Cb 0.00 -0.51 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 1uez s GLU 8 CO 0.00 -1.19 1.23 0.08 0.02 0.00 0.00 175.26 175.40 1uez s VAL 9 N 1.54 4.20 0.30 2.63 1.01 -1.26 -3.85 120.40 124.96 1uez s VAL 9 Ca 0.17 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.72 1uez s VAL 9 Cb -0.12 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1uez s VAL 9 CO -0.04 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.46 1uez s ARG 10 N 2.42 3.25 -0.30 2.72 1.70 -0.52 -4.98 118.95 123.25 1uez s ARG 10 Ca 0.57 -0.91 0.02 0.00 -0.47 0.00 0.00 55.73 54.94 1uez s ARG 10 Cb -0.25 -2.85 0.07 0.00 -0.57 0.00 0.00 34.95 31.35 1uez s ARG 10 CO 0.21 0.21 -0.03 -0.51 -1.08 0.00 0.00 175.30 174.11 1uez s LEU 11 N -4.09 4.00 0.03 -1.89 1.43 -1.26 -2.58 118.68 114.31 1uez s LEU 11 Ca 0.40 -1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 51.74 1uez s LEU 11 Cb -0.09 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 1uez s LEU 11 CO 0.30 -0.27 0.37 -0.69 0.23 0.00 0.00 176.35 176.29 1uez s VAL 12 N 1.06 5.12 -0.12 -1.59 1.01 0.59 -4.88 120.40 121.59 1uez s VAL 12 Ca -0.02 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 1uez s VAL 12 Cb -0.20 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1uez s VAL 12 CO -0.05 0.44 -0.09 -0.94 0.00 0.00 0.00 175.10 174.46 1uez s SER 13 N -1.42 2.25 0.11 3.32 1.04 -1.26 0.22 113.70 117.96 1uez s SER 13 Ca 0.27 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.47 1uez s SER 13 Cb -0.15 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.04 1uez s SER 13 CO 0.15 -0.11 -0.23 -0.76 0.98 0.00 0.00 173.24 173.27 1uez s LEU 14 N 1.66 2.48 -0.37 2.42 2.01 -1.23 -4.85 118.68 120.79 1uez s LEU 14 Ca 0.05 -0.63 -0.24 0.00 0.01 0.00 0.00 54.13 53.32 1uez s LEU 14 Cb -0.13 -1.38 0.01 0.00 0.01 0.00 0.00 46.19 44.71 1uez s LEU 14 CO -0.08 0.20 0.82 -0.60 1.01 0.00 0.00 176.35 177.70 1uez s ARG 15 N -1.93 3.75 -1.35 1.70 6.06 -1.26 -4.46 118.95 121.45 1uez s ARG 15 Ca 0.15 0.35 -0.10 0.00 -2.50 0.00 0.00 55.73 53.63 1uez s ARG 15 Cb -0.10 -3.82 0.11 0.00 0.06 0.00 0.00 34.95 31.20 1uez s ARG 15 CO 0.07 -0.90 2.11 -2.13 -2.50 0.00 0.00 175.30 171.95 1uez n ARG 16 N 6.55 3.61 0.00 5.12 0.00 -1.26 -4.29 116.66 126.39 1uez n ARG 16 Ca 0.04 -3.22 0.00 0.00 -0.00 0.00 0.00 57.85 54.67 1uez n ARG 16 Cb 0.48 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 29.99 1uez n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uez n ALA 17 N 3.99 0.00 -1.00 5.13 0.00 -1.26 -5.08 120.51 122.29 1uez n ALA 17 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1uez n ALA 17 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1uez n ALA 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uez n LYS 18 N 0.00 0.00 0.00 0.00 5.02 -1.26 -5.07 118.16 116.85 1uez n LYS 18 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1uez n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uez n ALA 19 N -1.06 0.00 -1.25 7.82 0.00 -1.26 -5.13 120.51 119.63 1uez n ALA 19 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1uez n ALA 19 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1uez n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uez n HIS 20 N 0.00 -0.25 -1.42 0.00 8.25 -1.26 -4.54 115.22 116.00 1uez n HIS 20 Ca 0.00 0.87 -0.50 0.00 -0.26 0.00 0.00 57.72 57.83 1uez n HIS 20 Cb 0.00 -1.75 -0.09 0.00 1.12 0.00 0.00 29.99 29.28 1uez n HIS 20 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1uez n GLU 21 N 0.96 0.74 -2.84 -0.41 1.02 -1.26 -3.08 120.64 115.77 1uez n GLU 21 Ca 0.16 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1uez n GLU 21 Cb 0.19 -2.26 0.02 0.00 -0.02 0.00 0.00 31.44 29.37 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 6.67 0.08 1.88 0.62 0.00 -1.26 0.15 105.19 113.33 1uez n GLY 22 Ca 0.46 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.84 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 0.53 -0.72 0.00 0.99 4.77 -1.18 0.94 117.00 122.33 1uez n LEU 23 Ca -0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1uez n LEU 23 Cb 0.48 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1uez n LEU 23 CO 0.22 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1uez n GLY 24 N -0.30 2.66 3.24 -0.72 0.00 0.39 -4.56 105.19 105.91 1uez n GLY 24 Ca -0.10 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.01 2.71 0.46 1.61 -0.12 0.27 -0.56 117.98 121.34 1uez s PHE 25 Ca 0.00 -1.09 -0.04 0.00 -0.05 0.00 0.00 56.93 55.76 1uez s PHE 25 Cb 0.00 -1.83 -0.03 0.00 -0.63 0.00 0.00 43.02 40.53 1uez s PHE 25 CO 0.00 -0.47 0.74 0.45 -0.05 0.00 0.00 175.22 175.88 1uez s SER 26 N 0.67 6.17 0.30 1.98 0.15 0.12 -4.61 113.70 118.48 1uez s SER 26 Ca -0.09 0.75 0.09 0.00 0.70 0.00 0.00 55.95 57.40 1uez s SER 26 Cb -0.16 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 62.00 1uez s SER 26 CO 0.02 -0.57 -0.12 0.27 1.20 0.00 0.00 173.24 174.04 1uez s ILE 27 N -2.66 2.10 0.30 6.45 -4.36 -1.26 0.20 121.20 121.97 1uez s ILE 27 Ca 0.46 -2.24 -0.03 0.00 -0.26 0.00 0.00 60.65 58.58 1uez s ILE 27 Cb -0.10 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 1uez s ILE 27 CO 0.42 -0.32 0.41 0.00 0.24 0.00 0.00 174.94 175.70 1uez s ARG 28 N -3.62 1.73 2.73 0.37 1.70 0.73 -4.61 118.95 117.98 1uez s ARG 28 Ca 0.30 -1.67 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 1uez s ARG 28 Cb 0.01 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1uez s ARG 28 CO 0.14 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 1uez n GLY 29 N -0.49 0.59 0.00 3.88 0.00 -1.26 -2.65 105.19 105.25 1uez n GLY 29 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 2.88 0.44 -0.02 0.00 0.11 -4.28 105.19 104.32 1uez n GLY 30 Ca 0.00 -1.85 0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.42 1.61 0.87 0.10 0.57 113.55 116.28 1uez h SER 31 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1uez h SER 31 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1uez h SER 31 CO 0.00 0.00 0.25 -0.08 -0.53 0.00 0.00 176.83 176.47 1uez h GLU 32 N 0.00 0.50 -0.05 2.24 4.81 -1.83 -0.40 114.58 119.84 1uez h GLU 32 Ca 0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1uez h GLU 32 Cb 1.81 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1uez h GLU 32 CO -0.00 0.33 0.00 0.72 -0.73 0.00 0.00 179.01 179.32 1uez n HIS 33 N -4.84 0.06 -1.27 0.92 8.25 0.19 -4.88 115.22 113.64 1uez n HIS 33 Ca 0.01 -0.03 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1uez n HIS 33 Cb 0.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 1.10 0.68 3.37 -1.41 0.00 -0.16 -4.97 105.19 103.80 1uez n GLY 34 Ca 0.19 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.19 1.45 0.00 1.61 -7.23 -0.98 -4.94 120.40 108.11 1uez s VAL 35 Ca 0.00 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1uez s VAL 35 Cb 0.00 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1uez s VAL 35 CO 0.00 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1uez n GLY 36 N -0.46 -0.89 3.01 2.32 0.00 -1.26 -2.09 105.19 105.82 1uez n GLY 36 Ca -0.06 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.88 0.03 -0.61 -1.09 -1.26 0.07 121.20 119.22 1uez s ILE 37 Ca 0.00 -0.39 -0.07 0.00 -2.23 0.00 0.00 60.65 57.96 1uez s ILE 37 Cb 0.00 -0.79 -0.00 0.00 -1.58 0.00 0.00 42.46 40.09 1uez s ILE 37 CO 0.00 0.28 0.13 -0.31 -1.23 0.00 0.00 174.94 173.81 1uez s TYR 38 N 0.32 0.12 0.33 3.97 1.51 -1.09 -0.75 117.35 121.75 1uez s TYR 38 Ca -0.06 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 1uez s TYR 38 Cb -0.11 -0.09 -0.11 0.00 -0.11 0.00 0.00 41.96 41.55 1uez s TYR 38 CO 0.01 -0.36 1.40 0.08 -1.11 0.00 0.00 175.55 175.57 1uez s VAL 39 N -2.29 2.46 -0.12 0.71 1.01 -1.23 -0.19 120.40 120.75 1uez s VAL 39 Ca -0.07 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1uez s VAL 39 Cb -0.03 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 1uez s VAL 39 CO -0.03 0.10 -0.11 -0.24 0.00 0.00 0.00 175.10 174.82 1uez n SER 40 N 1.07 3.01 -3.87 3.32 2.88 0.13 -3.81 113.62 116.34 1uez n SER 40 Ca 0.02 -0.07 -0.11 0.00 -1.33 0.00 0.00 58.87 57.38 1uez n SER 40 Cb 0.40 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 1uez n SER 40 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1uez s LEU 41 N -5.70 1.55 -0.07 2.46 1.98 -1.20 -4.84 118.68 112.87 1uez s LEU 41 Ca -0.17 -0.20 -0.02 0.00 -2.89 0.00 0.00 54.13 50.86 1uez s LEU 41 Cb 0.04 0.67 0.03 0.00 0.66 0.00 0.00 46.19 47.59 1uez s LEU 41 CO 0.29 -0.37 0.02 -0.69 -1.89 0.00 0.00 176.35 173.72 1uez s VAL 42 N -1.36 0.25 0.32 1.68 1.01 -1.26 0.12 120.40 121.16 1uez s VAL 42 Ca -0.14 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1uez s VAL 42 Cb -0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 1uez s VAL 42 CO 0.02 0.22 1.32 -1.61 0.00 0.00 0.00 175.10 175.04 1uez s GLU 43 N 2.02 4.35 0.76 2.72 2.02 0.28 -4.98 118.70 125.87 1uez s GLU 43 Ca 0.05 2.21 -0.11 0.00 0.02 0.00 0.00 54.97 57.14 1uez s GLU 43 Cb -0.12 -3.08 0.05 0.00 0.10 0.00 0.00 34.13 31.08 1uez s GLU 43 CO -0.05 -0.21 1.09 -1.25 0.02 0.00 0.00 175.26 174.86 1uez s PRO 44 N -1.60 2.36 -0.18 0.39 0.04 -1.26 -3.51 135.00 131.24 1uez s PRO 44 Ca 0.50 0.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.26 1uez s PRO 44 Cb -0.40 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1uez s PRO 44 CO 0.51 -1.45 0.06 0.41 0.04 0.00 0.00 177.00 176.57 1uez n GLY 45 N -2.07 -0.44 4.01 0.56 0.00 -1.26 -4.85 105.19 101.15 1uez n GLY 45 Ca 0.07 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1uez n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uez s SER 46 N -1.91 5.10 -0.04 1.61 1.04 -1.23 -5.01 113.70 113.27 1uez s SER 46 Ca 0.08 -0.85 -0.26 0.00 0.48 0.00 0.00 55.95 55.40 1uez s SER 46 Cb -0.05 0.21 -0.21 0.00 0.10 0.00 0.00 66.02 66.07 1uez s SER 46 CO 0.10 -1.25 1.19 0.25 0.98 0.00 0.00 173.24 174.51 1uez h LEU 47 N 0.30 0.01 -0.04 2.42 5.85 -1.88 -2.14 115.31 119.84 1uez h LEU 47 Ca -0.32 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 57.85 1uez h LEU 47 Cb 1.29 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1uez h LEU 47 CO 0.43 0.58 -0.21 0.00 -0.34 0.00 0.00 178.44 178.89 1uez h ALA 48 N 0.44 -0.63 -1.04 1.25 0.00 -1.89 0.85 119.26 118.23 1uez h ALA 48 Ca 0.00 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.16 1uez h ALA 48 Cb 0.57 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1uez h ALA 48 CO 0.00 -0.71 0.71 1.49 0.00 0.00 0.00 179.25 180.74 1uez h GLU 49 N -0.24 0.18 -0.06 0.00 4.81 -1.75 1.40 114.58 118.93 1uez h GLU 49 Ca 0.01 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1uez h GLU 49 Cb 0.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1uez h GLU 49 CO -0.16 0.12 -0.56 0.87 -0.73 0.00 0.00 179.01 178.54 1uez h LYS 50 N 0.19 0.17 0.00 1.92 1.57 -0.02 -2.50 116.57 117.89 1uez h LYS 50 Ca 0.53 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1uez h LYS 50 Cb 1.74 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.07 1uez h LYS 50 CO -0.13 0.69 -0.07 0.93 -0.57 0.00 0.00 179.45 180.30 1uez h GLU 51 N 0.13 0.00 0.00 3.15 4.39 0.87 -3.46 114.58 119.65 1uez h GLU 51 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uez h GLU 51 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1uez h GLU 51 CO 0.08 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.41 1uez n GLY 52 N 0.28 2.00 3.25 -3.84 0.00 -0.55 -4.96 105.19 101.37 1uez n GLY 52 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.21 0.00 0.99 7.94 -1.03 -4.92 117.00 117.77 1uez n LEU 53 Ca 0.00 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 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 -3.87 0.00 -1.14 -1.11 0.00 0.00 177.39 171.27 1uez n ARG 54 N -0.53 0.00 -1.57 1.96 0.00 -1.26 -4.34 116.66 110.93 1uez n ARG 54 Ca 0.03 0.00 -0.64 0.00 -0.00 0.00 0.00 57.85 57.23 1uez n ARG 54 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.94 1uez n ARG 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1uez n VAL 55 N -0.39 0.02 0.00 5.15 0.31 -1.26 -2.17 118.33 119.99 1uez n VAL 55 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1uez n VAL 55 Cb 0.00 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 5.30 4.38 2.94 2.92 0.00 -1.25 -5.03 105.19 114.45 1uez n GLY 56 Ca 0.40 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.17 -3.66 1.61 9.92 -0.92 -4.78 116.55 115.55 1uez n ASP 57 Ca 0.00 -0.47 -0.25 0.00 -0.53 0.00 0.00 54.79 53.54 1uez n ASP 57 Cb 0.00 -0.76 -0.17 0.00 -0.64 0.00 0.00 41.12 39.55 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 -3.63 0.21 -1.02 -1.24 0.74 -1.26 -3.49 119.66 109.97 1uez s GLN 58 Ca 0.36 -0.08 -0.24 0.00 0.05 0.00 0.00 55.36 55.45 1uez s GLN 58 Cb -0.06 -1.66 -0.08 0.00 1.10 0.00 0.00 33.01 32.30 1uez s GLN 58 CO 0.30 -0.59 1.99 0.42 -0.55 0.00 0.00 175.29 176.85 1uez s ILE 59 N 2.07 3.43 0.03 -2.34 -1.09 0.07 -2.77 121.20 120.59 1uez s ILE 59 Ca 0.02 -0.54 -0.28 0.00 -2.23 0.00 0.00 60.65 57.62 1uez s ILE 59 Cb -0.15 -4.15 -0.17 0.00 -1.58 0.00 0.00 42.46 36.40 1uez s ILE 59 CO -0.08 -0.83 1.33 -0.07 -1.23 0.00 0.00 174.94 174.06 1uez h LEU 60 N 18.49 -0.58 -9.26 2.97 3.38 0.67 -3.39 115.31 127.58 1uez h LEU 60 Ca 0.13 -0.06 -0.55 0.00 0.09 0.00 0.00 57.88 57.49 1uez h LEU 60 Cb 0.98 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 1uez h LEU 60 CO 1.19 -0.27 -0.68 -0.13 0.09 0.00 0.00 178.44 178.64 1uez s ARG 61 N -5.11 1.67 -0.21 1.13 0.52 -1.14 -2.28 118.95 113.52 1uez s ARG 61 Ca -0.15 -1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 53.17 1uez s ARG 61 Cb 0.02 -1.40 0.09 0.00 0.52 0.00 0.00 34.95 34.18 1uez s ARG 61 CO 0.54 0.09 0.18 0.54 0.02 0.00 0.00 175.30 176.67 1uez s VAL 62 N -2.83 -0.24 0.00 3.52 0.11 -0.26 -0.84 120.40 119.86 1uez s VAL 62 Ca 0.31 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1uez s VAL 62 Cb 0.03 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1uez s VAL 62 CO 0.14 -0.32 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 0.00 -2.92 115.26 124.03 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 0.48 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 -0.67 -2.11 0.00 0.00 177.26 174.48 1uez n ASP 64 N 3.35 0.00 -4.77 1.20 -0.08 -1.26 -4.62 116.55 110.36 1uez n ASP 64 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1uez n ASP 64 Cb 0.00 0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.55 1uez n ASP 64 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1uez s LYS 65 N -1.38 4.34 -0.02 -0.67 2.47 -1.15 -5.00 119.74 118.34 1uez s LYS 65 Ca 0.00 1.87 -0.16 0.00 -1.56 0.00 0.00 55.97 56.12 1uez s LYS 65 Cb 0.00 -2.93 -0.06 0.00 -1.46 0.00 0.00 37.83 33.38 1uez s LYS 65 CO 0.00 -0.08 0.43 -1.54 0.16 0.00 0.00 175.35 174.32 1uez s SER 66 N -0.95 6.80 -0.42 1.43 1.04 -1.26 -1.11 113.70 119.23 1uez s SER 66 Ca 0.51 0.95 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1uez s SER 66 Cb -0.32 -2.26 0.07 0.00 0.10 0.00 0.00 66.02 63.61 1uez s SER 66 CO 0.41 0.27 2.69 0.18 0.98 0.00 0.00 173.24 177.77 1uez n LEU 67 N 2.14 6.44 0.00 2.42 4.77 -0.96 -4.75 117.00 127.06 1uez n LEU 67 Ca -0.13 -3.94 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 1uez n LEU 67 Cb 0.52 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1uez n LEU 67 CO 0.39 1.66 0.43 0.00 -1.33 0.00 0.00 177.39 178.54 1uez n ALA 68 N 0.84 -0.01 -3.29 -1.18 0.00 -1.26 -4.20 120.51 111.41 1uez n ALA 68 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 1uez n ALA 68 Cb 0.57 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 20.35 1uez n ALA 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uez s ARG 69 N -2.44 0.90 0.11 0.00 0.52 -1.26 -4.51 118.95 112.27 1uez s ARG 69 Ca 0.00 -1.84 0.07 0.00 -0.52 0.00 0.00 55.73 53.45 1uez s ARG 69 Cb 0.00 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 1uez s ARG 69 CO 0.00 -1.36 -0.19 0.14 0.02 0.00 0.00 175.30 173.91 1uez s VAL 70 N 0.31 1.59 0.83 3.52 -7.23 -1.26 -4.68 120.40 113.48 1uez s VAL 70 Ca 0.31 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 1uez s VAL 70 Cb 0.01 -1.52 0.09 0.00 0.56 0.00 0.00 36.38 35.52 1uez s VAL 70 CO -0.16 -0.17 1.13 0.42 -0.31 0.00 0.00 175.10 176.01 1uez s THR 71 N -1.44 2.63 0.48 5.32 -4.23 -1.26 0.93 115.64 118.07 1uez s THR 71 Ca 0.07 0.22 0.19 0.00 -1.18 0.00 0.00 61.69 60.99 1uez s THR 71 Cb -0.09 -2.50 0.36 0.00 1.34 0.00 0.00 72.50 71.61 1uez s THR 71 CO 0.04 -0.25 1.99 -0.74 -0.54 0.00 0.00 174.62 175.12 1uez h HIS 72 N -1.33 0.22 -0.09 3.99 2.76 -1.88 0.47 115.15 119.28 1uez h HIS 72 Ca -0.44 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 57.63 1uez h HIS 72 Cb 1.26 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1uez h HIS 72 CO 0.53 0.10 -0.41 0.00 -1.30 0.00 0.00 177.93 176.85 1uez h ALA 73 N 1.73 1.15 0.38 5.26 0.00 -1.94 -1.80 119.26 124.04 1uez h ALA 73 Ca 0.25 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1uez h ALA 73 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1uez h ALA 73 CO -0.04 0.58 -0.18 0.93 0.00 0.00 0.00 179.25 180.53 1uez h GLU 74 N 0.17 -0.49 -0.82 0.00 4.39 -0.43 0.28 114.58 117.68 1uez h GLU 74 Ca 0.02 0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.95 1uez h GLU 74 Cb 0.80 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.43 1uez h GLU 74 CO 0.06 -0.33 0.20 0.00 -1.16 0.00 0.00 179.01 177.78 1uez h ALA 75 N -1.27 1.12 0.41 3.43 0.00 -1.25 1.50 119.26 123.21 1uez h ALA 75 Ca -0.05 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1uez h ALA 75 Cb 0.39 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1uez h ALA 75 CO 0.09 -0.41 -0.20 0.28 0.00 0.00 0.00 179.25 179.00 1uez h VAL 76 N 0.23 0.59 0.00 0.00 2.07 -1.37 1.50 116.25 119.26 1uez h VAL 76 Ca 0.49 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1uez h VAL 76 Cb 0.94 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1uez h VAL 76 CO -0.61 0.04 0.00 0.11 0.02 0.00 0.00 177.57 177.13 1uez h LYS 77 N -0.68 0.00 0.12 1.57 1.57 0.13 -1.01 116.57 118.28 1uez h LYS 77 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 1uez h LYS 77 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1uez h LYS 77 CO 0.09 0.00 -1.62 0.00 -0.57 0.00 0.00 179.45 177.36 1uez h ALA 78 N 2.00 0.25 -2.76 3.86 0.00 0.30 -3.41 119.26 119.50 1uez h ALA 78 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1uez h ALA 78 Cb 0.02 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1uez h ALA 78 CO 0.00 0.98 0.00 1.28 0.00 0.00 0.00 179.25 181.51 1uez n LEU 79 N -3.79 0.00 0.00 0.00 4.77 0.50 -4.63 117.00 113.86 1uez n LEU 79 Ca -0.27 0.54 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 1uez n LEU 79 Cb 0.95 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 42.04 1uez n LEU 79 CO 0.42 -0.04 0.08 2.29 -1.33 0.00 0.00 177.39 178.80 1uez n LYS 80 N -1.06 -1.43 0.00 3.23 2.85 -1.16 -4.58 118.16 116.00 1uez n LYS 80 Ca 0.00 -0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.03 1uez n LYS 80 Cb 0.00 -0.22 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 1uez n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uez n GLY 81 N 1.22 2.04 3.19 2.58 0.00 -1.26 -4.91 105.19 108.05 1uez n GLY 81 Ca 0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 1uez n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uez n SER 82 N 2.22 -1.31 0.00 1.61 7.64 -1.26 -5.07 113.62 117.45 1uez n SER 82 Ca 0.00 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1uez n SER 82 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1uez n SER 82 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1uez n LYS 83 N -4.14 0.00 -1.78 1.43 5.02 -1.26 -4.77 118.16 112.65 1uez n LYS 83 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 1uez n LYS 83 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1uez n LYS 83 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uez s LYS 84 N 0.02 3.38 -0.44 1.97 2.47 -1.26 -4.85 119.74 121.03 1uez s LYS 84 Ca 0.00 1.89 -0.17 0.00 -1.56 0.00 0.00 55.97 56.13 1uez s LYS 84 Cb 0.00 -4.26 0.04 0.00 -1.46 0.00 0.00 37.83 32.15 1uez s LYS 84 CO 0.00 -1.81 0.42 -1.17 0.16 0.00 0.00 175.35 172.96 1uez s LEU 85 N 7.10 5.10 -0.46 5.43 2.96 -1.26 -4.87 118.68 132.67 1uez s LEU 85 Ca 0.90 -0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 1uez s LEU 85 Cb -0.30 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.13 1uez s LEU 85 CO 0.35 -0.61 0.51 -0.69 -1.32 0.00 0.00 176.35 174.59 1uez s VAL 86 N 1.99 5.02 -0.19 1.68 1.01 -1.26 -3.52 120.40 125.14 1uez s VAL 86 Ca 0.09 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1uez s VAL 86 Cb -0.19 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1uez s VAL 86 CO 0.11 -0.59 1.03 -0.76 0.00 0.00 0.00 175.10 174.89 1uez s LEU 87 N 2.26 4.15 -0.50 3.92 2.01 0.59 -0.82 118.68 130.29 1uez s LEU 87 Ca 0.12 1.43 -0.18 0.00 0.01 0.00 0.00 54.13 55.51 1uez s LEU 87 Cb -0.19 -3.54 0.06 0.00 0.01 0.00 0.00 46.19 42.54 1uez s LEU 87 CO 0.12 -0.59 0.56 -0.44 1.01 0.00 0.00 176.35 177.01 1uez s SER 88 N 1.17 6.20 0.17 2.29 0.01 -0.02 -0.30 113.70 123.21 1uez s SER 88 Ca 0.45 -1.06 0.10 0.00 1.31 0.00 0.00 55.95 56.75 1uez s SER 88 Cb -0.16 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1uez s SER 88 CO 0.10 -0.83 -0.15 0.68 0.41 0.00 0.00 173.24 173.45 1uez s VAL 89 N 2.34 2.88 -0.19 3.43 -7.23 -1.07 0.12 120.40 120.68 1uez s VAL 89 Ca 0.12 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1uez s VAL 89 Cb -0.21 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.37 1uez s VAL 89 CO 0.10 -0.06 -0.14 -0.47 -0.31 0.00 0.00 175.10 174.22 1uez s TYR 90 N -1.56 2.56 0.40 2.82 5.04 -1.12 -1.44 117.35 124.06 1uez s TYR 90 Ca 0.22 -1.61 -0.02 0.00 -2.44 0.00 0.00 57.07 53.22 1uez s TYR 90 Cb -0.09 -1.74 -0.03 0.00 0.35 0.00 0.00 41.96 40.45 1uez s TYR 90 CO 0.12 -0.76 0.65 0.45 -1.34 0.00 0.00 175.55 174.67 1uez s SER 91 N 1.35 6.28 -0.45 4.32 0.15 -1.25 -4.00 113.70 120.10 1uez s SER 91 Ca 0.01 0.66 0.08 0.00 0.70 0.00 0.00 55.95 57.40 1uez s SER 91 Cb -0.15 -2.13 0.27 0.00 -1.71 0.00 0.00 66.02 62.30 1uez s SER 91 CO -0.10 -0.41 0.62 0.00 1.20 0.00 0.00 173.24 174.55 1uez n ALA 92 N -1.97 2.84 0.00 5.45 0.00 -1.26 -4.26 120.51 121.30 1uez n ALA 92 Ca -0.02 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.66 1uez n ALA 92 Cb 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.07 1.00 3.48 0.00 0.00 -1.26 -5.10 105.19 104.38 1uez n GLY 93 Ca 0.24 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1uez n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uez s ARG 94 N -0.54 -1.05 0.33 1.61 0.52 -1.26 -5.05 118.95 113.51 1uez s ARG 94 Ca 0.00 0.89 0.04 0.00 -0.52 0.00 0.00 55.73 56.14 1uez s ARG 94 Cb 0.00 -1.53 -0.06 0.00 0.52 0.00 0.00 34.95 33.87 1uez s ARG 94 CO 0.00 -3.83 0.06 0.96 0.02 0.00 0.00 175.30 172.52 1uez s ILE 95 N -2.42 1.16 -0.08 1.52 -0.00 -1.26 -5.10 121.20 115.03 1uez s ILE 95 Ca 0.69 -2.00 -0.09 0.00 -0.00 0.00 0.00 60.65 59.24 1uez s ILE 95 Cb -0.26 -2.77 -0.03 0.00 -0.00 0.00 0.00 42.46 39.40 1uez s ILE 95 CO 0.65 0.00 -0.18 -0.24 -0.00 0.00 0.00 174.94 175.17 1uez n SER 96 N -0.71 1.20 -1.47 4.36 2.88 -1.26 -5.13 113.62 113.49 1uez n SER 96 Ca -0.02 0.20 0.16 0.00 -1.33 0.00 0.00 58.87 57.87 1uez n SER 96 Cb 0.67 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 1uez n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uez n GLY 97 N 1.94 -3.40 3.57 0.46 0.00 -1.26 -4.40 105.19 102.11 1uez n GLY 97 Ca -0.07 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.47 3.17 -0.02 1.61 0.04 -1.26 -4.78 135.00 129.30 1uez s PRO 98 Ca 0.00 -1.14 -0.20 0.00 0.04 0.00 0.00 61.00 59.70 1uez s PRO 98 Cb 0.00 -5.30 -0.12 0.00 0.04 0.00 0.00 34.50 29.12 1uez s PRO 98 CO 0.00 -2.94 0.85 1.03 0.04 0.00 0.00 177.00 175.99 1uez h SER 99 N 9.61 -0.56 -2.90 6.66 0.87 -2.03 -3.43 113.55 121.77 1uez h SER 99 Ca 0.24 -0.02 -0.63 0.00 -1.23 0.00 0.00 61.79 60.15 1uez h SER 99 Cb 0.96 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 63.00 1uez h SER 99 CO 1.33 -0.14 -0.33 -0.94 -0.53 0.00 0.00 176.83 176.22 1uez s SER 100 N -4.81 6.60 0.00 6.23 1.04 -1.26 -5.31 113.70 116.19 1uez s SER 100 Ca -0.11 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1uez s SER 100 Cb 0.01 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1uez s SER 100 CO 0.34 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.50