#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uez s SER 2 N 0.00 -0.49 0.46 1.61 0.15 -1.26 -5.15 113.70 109.02 1uez s SER 2 Ca 0.00 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1uez s SER 2 Cb 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1uez s SER 2 CO 0.00 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1uez n SER 3 N 2.28 -7.15 0.00 5.45 7.64 -1.26 -5.06 113.62 115.53 1uez n SER 3 Ca -0.13 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1uez n SER 3 Cb 0.56 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 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 -4.05 -1.99 3.55 0.23 0.00 -1.26 -5.16 105.19 96.51 1uez n GLY 4 Ca -0.05 0.73 -0.24 0.00 0.00 0.00 0.00 46.02 46.46 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 2.00 4.02 0.05 1.61 0.15 -1.26 -5.15 113.70 115.11 1uez s SER 5 Ca 0.00 -0.86 -0.07 0.00 0.70 0.00 0.00 55.95 55.72 1uez s SER 5 Cb 0.00 -0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 63.76 1uez s SER 5 CO 0.00 0.02 0.13 -0.44 1.20 0.00 0.00 173.24 174.15 1uez s SER 6 N -3.59 0.15 0.00 5.45 0.01 -1.26 -5.13 113.70 109.34 1uez s SER 6 Ca 0.31 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1uez s SER 6 Cb -0.05 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1uez s SER 6 CO 0.17 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1uez n GLY 7 N 0.58 3.38 2.59 3.44 0.00 -1.26 -5.06 105.19 108.86 1uez n GLY 7 Ca -0.18 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1uez n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uez n GLU 8 N 0.00 3.08 -2.53 1.61 2.13 -1.15 -5.02 120.64 118.76 1uez n GLU 8 Ca 0.00 -4.67 -0.40 0.00 0.66 0.00 0.00 57.16 52.75 1uez n GLU 8 Cb 0.00 -2.31 -0.05 0.00 0.27 0.00 0.00 31.44 29.35 1uez n GLU 8 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1uez s VAL 9 N -2.78 3.62 0.12 6.31 1.01 -1.26 -2.63 120.40 124.79 1uez s VAL 9 Ca 0.39 1.62 0.10 0.00 0.00 0.00 0.00 61.98 64.09 1uez s VAL 9 Cb 0.14 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1uez s VAL 9 CO 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 175.10 175.22 1uez s ARG 10 N -1.32 1.39 -0.41 2.72 3.03 0.40 -4.94 118.95 119.82 1uez s ARG 10 Ca 0.44 -1.29 -0.14 0.00 2.03 0.00 0.00 55.73 56.78 1uez s ARG 10 Cb -0.31 -1.81 0.03 0.00 -1.03 0.00 0.00 34.95 31.83 1uez s ARG 10 CO 0.39 0.43 0.28 -0.51 -1.13 0.00 0.00 175.30 174.76 1uez s LEU 11 N -1.94 5.05 0.11 -1.89 2.01 -1.26 -1.52 118.68 119.23 1uez s LEU 11 Ca 0.12 -0.98 -0.09 0.00 0.01 0.00 0.00 54.13 53.20 1uez s LEU 11 Cb -0.10 -2.12 -0.06 0.00 0.01 0.00 0.00 46.19 43.92 1uez s LEU 11 CO 0.05 -0.45 0.41 -0.69 1.01 0.00 0.00 176.35 176.68 1uez s VAL 12 N 1.63 5.09 -0.10 -1.59 1.01 0.19 -4.84 120.40 121.79 1uez s VAL 12 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1uez s VAL 12 Cb -0.20 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1uez s VAL 12 CO 0.09 0.20 -0.10 -0.44 0.00 0.00 0.00 175.10 174.85 1uez s SER 13 N -1.96 2.07 -0.17 3.32 0.01 -1.26 0.22 113.70 115.92 1uez s SER 13 Ca 0.36 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1uez s SER 13 Cb -0.13 -0.86 0.02 0.00 0.21 0.00 0.00 66.02 65.26 1uez s SER 13 CO 0.20 -0.06 -0.20 -0.76 0.41 0.00 0.00 173.24 172.83 1uez s LEU 14 N 1.32 2.09 0.81 2.44 2.01 -1.23 -4.78 118.68 121.35 1uez s LEU 14 Ca -0.02 -0.63 -0.12 0.00 0.01 0.00 0.00 54.13 53.37 1uez s LEU 14 Cb -0.14 -1.45 0.08 0.00 0.01 0.00 0.00 46.19 44.69 1uez s LEU 14 CO -0.04 0.01 1.17 0.00 1.01 0.00 0.00 176.35 178.49 1uez s ARG 15 N 1.25 1.96 -0.25 1.70 1.70 -1.26 -4.63 118.95 119.41 1uez s ARG 15 Ca 0.04 0.17 -0.01 0.00 -0.47 0.00 0.00 55.73 55.45 1uez s ARG 15 Cb -0.13 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.31 1uez s ARG 15 CO -0.11 -1.61 0.02 -2.13 -1.08 0.00 0.00 175.30 170.38 1uez n ARG 16 N -3.34 -3.03 -3.99 3.89 0.63 -1.26 -4.89 116.66 104.67 1uez n ARG 16 Ca 0.08 2.48 -0.33 0.00 -0.92 0.00 0.00 57.85 59.16 1uez n ARG 16 Cb 0.60 -4.66 -0.14 0.00 0.45 0.00 0.00 32.46 28.71 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 -1.30 2.74 0.00 5.13 0.00 -1.26 -4.66 121.76 122.41 1uez s ALA 17 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1uez s ALA 17 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1uez s ALA 17 CO 0.66 -1.35 0.00 1.63 0.00 0.00 0.00 175.76 176.70 1uez n LYS 18 N 4.47 0.00 0.00 0.00 4.76 -1.26 -4.54 118.16 121.58 1uez n LYS 18 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1uez n LYS 18 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1uez n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uez n ALA 19 N -2.02 0.00 0.37 7.82 0.00 -1.26 -4.68 120.51 120.74 1uez n ALA 19 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1uez n ALA 19 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 1uez n ALA 19 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1uez h HIS 20 N 0.00 0.00 -3.38 0.00 2.07 -1.99 -3.42 115.15 108.43 1uez h HIS 20 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1uez h HIS 20 Cb 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 29.64 1uez h HIS 20 CO 0.00 0.00 -0.81 -2.00 -3.07 0.00 0.00 177.93 172.05 1uez s GLU 21 N -3.34 1.54 -0.57 5.12 2.12 -1.26 -5.03 118.70 117.28 1uez s GLU 21 Ca 0.06 -0.34 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 1uez s GLU 21 Cb 0.09 -1.36 -0.20 0.00 0.26 0.00 0.00 34.13 32.92 1uez s GLU 21 CO 0.56 -0.05 3.30 0.41 -0.54 0.00 0.00 175.26 178.93 1uez n GLY 22 N 4.07 3.38 2.79 -1.50 0.00 -1.26 -4.47 105.19 108.20 1uez n GLY 22 Ca -0.21 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 2.92 0.38 0.00 0.99 4.77 -1.26 -0.39 117.00 124.41 1uez n LEU 23 Ca 0.54 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1uez n LEU 23 Cb 0.65 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1uez n LEU 23 CO 0.39 -0.89 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 1uez n GLY 24 N 0.20 3.43 3.31 -0.72 0.00 -1.26 -4.66 105.19 105.48 1uez n GLY 24 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.96 2.40 0.66 1.61 -0.12 0.47 -1.13 117.98 118.91 1uez s PHE 25 Ca 0.00 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.32 1uez s PHE 25 Cb 0.00 -1.55 0.07 0.00 -0.63 0.00 0.00 43.02 40.91 1uez s PHE 25 CO 0.00 -0.09 0.94 0.45 -0.05 0.00 0.00 175.22 176.47 1uez s SER 26 N -0.45 4.82 0.27 1.98 0.15 0.53 -4.37 113.70 116.62 1uez s SER 26 Ca 0.05 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1uez s SER 26 Cb -0.11 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.36 1uez s SER 26 CO 0.01 -1.54 0.11 0.27 1.20 0.00 0.00 173.24 173.29 1uez s ILE 27 N -3.08 0.52 0.33 6.45 -4.36 -1.26 -1.43 121.20 118.37 1uez s ILE 27 Ca 0.61 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.84 1uez s ILE 27 Cb -0.09 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 41.03 1uez s ILE 27 CO 0.43 0.00 0.69 0.00 0.24 0.00 0.00 174.94 176.30 1uez s ARG 28 N -4.00 1.97 2.27 0.37 1.70 0.03 -4.30 118.95 116.99 1uez s ARG 28 Ca 0.37 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 1uez s ARG 28 Cb 0.07 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.04 1uez s ARG 28 CO 0.14 -0.90 0.00 0.41 -1.08 0.00 0.00 175.30 173.88 1uez n GLY 29 N -0.49 0.72 0.00 3.88 0.00 -1.26 -3.31 105.19 104.72 1uez n GLY 29 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 3.08 0.20 -0.02 0.00 -0.99 -4.45 105.19 103.01 1uez n GLY 30 Ca 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.08 1uez n GLY 30 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uez h SER 31 N 0.00 0.01 0.14 1.61 0.87 -1.18 -1.21 113.55 113.78 1uez h SER 31 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 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 0.31 0.00 -1.84 -0.53 0.00 0.00 176.83 174.77 1uez n GLU 32 N -4.17 0.16 -0.00 2.24 0.28 -1.26 -0.27 120.64 117.61 1uez n GLU 32 Ca -0.02 0.61 0.06 0.00 -0.16 0.00 0.00 57.16 57.64 1uez n GLU 32 Cb 0.35 -1.96 -0.07 0.00 1.43 0.00 0.00 31.44 31.19 1uez n GLU 32 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1uez n HIS 33 N -2.28 0.00 -1.33 -1.84 8.25 -0.55 -4.98 115.22 112.48 1uez n HIS 33 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1uez n HIS 33 Cb 0.07 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 1.30 0.64 3.39 -1.41 0.00 0.63 -5.01 105.19 104.74 1uez n GLY 34 Ca 0.02 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 1.29 0.00 1.61 -7.23 -0.64 -4.99 120.40 108.44 1uez s VAL 35 Ca 0.00 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1uez s VAL 35 Cb 0.00 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1uez s VAL 35 CO 0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1uez n GLY 36 N -0.54 0.62 3.04 2.32 0.00 -1.26 -3.06 105.19 106.31 1uez n GLY 36 Ca -0.05 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 0.72 0.25 -0.61 -1.09 -1.26 -2.36 121.20 116.84 1uez s ILE 37 Ca 0.00 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 57.68 1uez s ILE 37 Cb 0.00 -0.63 0.02 0.00 -1.58 0.00 0.00 42.46 40.27 1uez s ILE 37 CO 0.00 0.09 0.63 -0.31 -1.23 0.00 0.00 174.94 174.12 1uez s TYR 38 N -0.44 -0.11 0.12 3.97 1.51 -1.21 -1.93 117.35 119.26 1uez s TYR 38 Ca 0.01 -0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 55.56 1uez s TYR 38 Cb -0.05 0.54 -0.07 0.00 -0.11 0.00 0.00 41.96 42.27 1uez s TYR 38 CO 0.00 -1.10 0.68 0.08 -1.11 0.00 0.00 175.55 174.10 1uez s VAL 39 N -3.91 4.55 -0.02 0.71 1.01 -1.23 -0.79 120.40 120.71 1uez s VAL 39 Ca 0.12 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.64 1uez s VAL 39 Cb -0.04 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 1uez s VAL 39 CO 0.04 0.54 0.14 -0.24 0.00 0.00 0.00 175.10 175.58 1uez n SER 40 N 1.65 3.30 -3.70 3.32 2.88 -0.52 -3.02 113.62 117.54 1uez n SER 40 Ca -0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.32 1uez n SER 40 Cb 0.50 1.25 -0.09 0.00 -0.75 0.00 0.00 64.21 65.12 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 -3.64 0.37 -0.04 2.46 2.96 -1.24 -4.90 118.68 114.65 1uez s LEU 41 Ca -0.03 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1uez s LEU 41 Cb 0.04 1.59 0.02 0.00 0.50 0.00 0.00 46.19 48.34 1uez s LEU 41 CO 0.31 -0.35 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.27 1uez s VAL 42 N -0.65 0.38 0.31 1.68 1.01 -1.26 0.20 120.40 122.07 1uez s VAL 42 Ca -0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1uez s VAL 42 Cb -0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.81 1uez s VAL 42 CO 0.04 0.19 1.20 -1.61 0.00 0.00 0.00 175.10 174.92 1uez s GLU 43 N 0.98 4.46 0.68 2.72 0.41 -0.28 -5.00 118.70 122.67 1uez s GLU 43 Ca -0.10 2.00 -0.12 0.00 -0.41 0.00 0.00 54.97 56.34 1uez s GLU 43 Cb -0.14 -3.09 -0.00 0.00 -1.78 0.00 0.00 34.13 29.12 1uez s GLU 43 CO -0.01 -0.01 1.06 -1.25 -0.49 0.00 0.00 175.26 174.56 1uez s PRO 44 N -1.68 3.01 -0.54 0.39 0.04 -1.26 -3.49 135.00 131.48 1uez s PRO 44 Ca 0.47 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 1uez s PRO 44 Cb -0.35 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.26 1uez s PRO 44 CO 0.46 -1.04 0.17 0.41 0.04 0.00 0.00 177.00 177.04 1uez n GLY 45 N -1.85 -0.40 4.02 0.56 0.00 -1.26 -4.85 105.19 101.41 1uez n GLY 45 Ca 0.08 0.02 -0.20 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 -2.11 5.04 -0.03 1.61 1.04 -1.23 -5.02 113.70 112.99 1uez s SER 46 Ca 0.24 -0.91 -0.23 0.00 0.48 0.00 0.00 55.95 55.54 1uez s SER 46 Cb -0.14 0.34 -0.16 0.00 0.10 0.00 0.00 66.02 66.16 1uez s SER 46 CO 0.29 -1.34 1.01 0.25 0.98 0.00 0.00 173.24 174.44 1uez h LEU 47 N 0.22 -0.23 -0.55 2.42 5.85 -1.88 -2.67 115.31 118.48 1uez h LEU 47 Ca -0.30 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.17 1uez h LEU 47 Cb 1.29 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 1uez h LEU 47 CO 0.42 0.26 -0.37 0.00 -0.34 0.00 0.00 178.44 178.42 1uez h ALA 48 N -0.23 -0.41 -1.03 1.25 0.00 -1.86 1.68 119.26 118.67 1uez h ALA 48 Ca -0.03 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1uez h ALA 48 Cb 0.52 1.18 -0.11 0.00 0.00 0.00 0.00 17.79 19.38 1uez h ALA 48 CO 0.04 -0.65 0.64 1.49 0.00 0.00 0.00 179.25 180.77 1uez h GLU 49 N -0.06 0.48 -0.08 0.00 4.22 -1.72 1.17 114.58 118.59 1uez h GLU 49 Ca 0.09 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.37 1uez h GLU 49 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1uez h GLU 49 CO -0.55 0.32 -0.54 0.87 -2.18 0.00 0.00 179.01 176.93 1uez h LYS 50 N 0.49 0.23 0.00 1.92 1.57 0.14 -2.52 116.57 118.41 1uez h LYS 50 Ca 0.62 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1uez h LYS 50 Cb 1.36 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1uez h LYS 50 CO -0.38 0.72 -0.11 0.93 -0.57 0.00 0.00 179.45 180.04 1uez h GLU 51 N 0.18 0.00 0.00 3.15 4.39 1.08 -3.46 114.58 119.91 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 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1uez h GLU 51 CO 0.08 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 1uez n GLY 52 N 0.37 1.11 3.15 -3.84 0.00 0.56 -4.94 105.19 101.60 1uez n GLY 52 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1uez n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uez n LEU 53 N 0.00 -4.49 0.00 0.99 7.94 -0.76 -4.87 117.00 115.81 1uez n LEU 53 Ca 0.00 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1uez n LEU 53 Cb 0.00 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1uez n LEU 53 CO 0.00 -5.26 0.00 0.54 -1.11 0.00 0.00 177.39 171.56 1uez n ARG 54 N 1.82 0.00 -1.50 1.96 5.12 -1.26 -4.18 116.66 118.63 1uez n ARG 54 Ca 0.04 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.54 1uez n ARG 54 Cb 0.51 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.70 1uez n ARG 54 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1uez n VAL 55 N -0.01 -0.01 0.00 1.55 0.31 -1.26 -0.47 118.33 118.43 1uez n VAL 55 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1uez n VAL 55 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 6.44 1.01 3.03 2.92 0.00 -1.17 -5.00 105.19 112.42 1uez n GLY 56 Ca 0.57 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.21 -3.54 1.61 5.75 0.38 -4.76 116.55 112.79 1uez n ASP 57 Ca 0.00 -0.47 -0.21 0.00 -0.01 0.00 0.00 54.79 54.10 1uez n ASP 57 Cb 0.00 -0.80 -0.14 0.00 -1.03 0.00 0.00 41.12 39.15 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 -3.73 0.14 -0.58 0.11 0.74 -1.26 -3.57 119.66 111.51 1uez s GLN 58 Ca 0.40 0.10 -0.28 0.00 0.05 0.00 0.00 55.36 55.63 1uez s GLN 58 Cb -0.07 -1.43 0.02 0.00 1.10 0.00 0.00 33.01 32.63 1uez s GLN 58 CO 0.35 -0.66 1.30 0.42 -0.55 0.00 0.00 175.29 176.15 1uez s ILE 59 N 2.26 3.89 -0.10 -2.34 -1.09 -0.81 -2.58 121.20 120.43 1uez s ILE 59 Ca 0.05 0.76 -0.19 0.00 -2.23 0.00 0.00 60.65 59.05 1uez s ILE 59 Cb -0.16 -4.61 -0.28 0.00 -1.58 0.00 0.00 42.46 35.83 1uez s ILE 59 CO -0.11 -1.30 0.65 -0.07 -1.23 0.00 0.00 174.94 172.88 1uez h LEU 60 N 12.53 0.36 -8.83 2.97 3.38 -0.88 -3.38 115.31 121.45 1uez h LEU 60 Ca -0.26 -0.87 -0.36 0.00 0.09 0.00 0.00 57.88 56.49 1uez h LEU 60 Cb 1.07 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1uez h LEU 60 CO 1.19 1.50 -0.66 -0.13 0.09 0.00 0.00 178.44 180.43 1uez s ARG 61 N -2.44 1.28 -0.13 1.13 0.52 -1.17 -2.39 118.95 115.76 1uez s ARG 61 Ca -0.19 -1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 53.35 1uez s ARG 61 Cb 0.03 -0.52 0.05 0.00 0.52 0.00 0.00 34.95 35.03 1uez s ARG 61 CO 0.77 -0.11 0.07 0.54 0.02 0.00 0.00 175.30 176.59 1uez s VAL 62 N -3.49 0.01 0.00 3.52 0.11 0.74 -2.32 120.40 118.97 1uez s VAL 62 Ca 0.28 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1uez s VAL 62 Cb 0.06 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1uez s VAL 62 CO 0.08 -0.11 0.00 -3.20 -3.33 0.00 0.00 175.10 168.53 1uez n ASN 63 N 5.25 0.00 0.00 3.54 4.05 -0.74 -2.49 115.26 124.87 1uez n ASN 63 Ca -0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.97 1uez n ASN 63 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 1uez n ASN 63 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1uez n ASP 64 N 2.42 0.00 -4.76 1.20 8.00 -1.26 -4.65 116.55 117.50 1uez n ASP 64 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1uez n ASP 64 Cb 0.00 0.24 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1uez n ASP 64 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1uez s LYS 65 N -1.52 3.19 -0.20 -1.24 2.20 -1.04 -5.00 119.74 116.13 1uez s LYS 65 Ca 0.00 1.73 -0.08 0.00 -0.36 0.00 0.00 55.97 57.26 1uez s LYS 65 Cb 0.00 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1uez s LYS 65 CO 0.00 -1.00 0.08 -1.12 -0.36 0.00 0.00 175.35 172.95 1uez s SER 66 N -1.65 5.66 0.06 1.43 0.01 -1.26 -0.19 113.70 117.77 1uez s SER 66 Ca 0.75 0.05 -0.32 0.00 1.31 0.00 0.00 55.95 57.74 1uez s SER 66 Cb -0.27 -1.99 -0.17 0.00 0.21 0.00 0.00 66.02 63.80 1uez s SER 66 CO 0.30 0.13 1.49 -0.07 0.41 0.00 0.00 173.24 175.51 1uez h LEU 67 N 7.03 -1.09 -2.77 2.44 3.38 -1.79 -3.47 115.31 119.02 1uez h LEU 67 Ca -0.37 0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.32 1uez h LEU 67 Cb 1.17 0.32 0.14 0.00 0.09 0.00 0.00 40.66 42.38 1uez h LEU 67 CO 0.68 -0.67 -0.90 0.00 0.09 0.00 0.00 178.44 177.65 1uez n ALA 68 N -2.65 -2.50 -2.51 1.53 0.00 -1.26 -4.31 120.51 108.81 1uez n ALA 68 Ca -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 1uez n ALA 68 Cb 0.44 -4.92 -0.03 0.00 0.00 0.00 0.00 19.45 14.95 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 -3.71 -4.74 -3.77 0.00 1.74 -1.26 -5.07 116.66 99.85 1uez n ARG 69 Ca -0.09 3.51 -0.13 0.00 -0.77 0.00 0.00 57.85 60.37 1uez n ARG 69 Cb 0.61 -4.79 -0.10 0.00 -1.02 0.00 0.00 32.46 27.17 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 -0.61 0.04 0.32 1.55 -7.23 -1.26 -4.77 120.40 108.43 1uez s VAL 70 Ca -0.17 -0.32 -0.25 0.00 -1.81 0.00 0.00 61.98 59.44 1uez s VAL 70 Cb 0.01 -0.53 -0.15 0.00 0.56 0.00 0.00 36.38 36.27 1uez s VAL 70 CO 0.45 -0.17 0.47 0.35 -0.31 0.00 0.00 175.10 175.89 1uez n THR 71 N 1.91 1.58 -0.04 5.32 -2.24 -1.26 -1.48 114.28 118.07 1uez n THR 71 Ca -0.18 -0.50 0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1uez n THR 71 Cb 0.57 -0.27 0.67 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.89 0.00 0.04 4.78 2.76 -1.88 1.26 115.15 123.00 1uez h HIS 72 Ca -0.35 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.55 1uez h HIS 72 Cb 1.42 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.40 1uez h HIS 72 CO 0.38 0.00 -1.09 0.00 -1.30 0.00 0.00 177.93 175.91 1uez h ALA 73 N 1.25 0.13 0.40 5.26 0.00 -1.95 -3.04 119.26 121.31 1uez h ALA 73 Ca 0.32 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1uez h ALA 73 Cb 1.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1uez h ALA 73 CO -0.00 0.72 -0.19 0.93 0.00 0.00 0.00 179.25 180.71 1uez h GLU 74 N 0.32 -0.52 -0.98 0.00 4.39 0.13 0.56 114.58 118.48 1uez h GLU 74 Ca -0.14 0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.80 1uez h GLU 74 Cb 1.75 0.12 -0.19 0.00 -0.10 0.00 0.00 28.75 30.34 1uez h GLU 74 CO 0.21 -0.35 -0.23 0.00 -1.16 0.00 0.00 179.01 177.48 1uez h ALA 75 N -1.73 0.68 0.22 3.43 0.00 -1.47 0.65 119.26 121.04 1uez h ALA 75 Ca -0.06 0.38 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1uez h ALA 75 Cb 0.42 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1uez h ALA 75 CO 0.09 -0.40 -0.31 0.28 0.00 0.00 0.00 179.25 178.91 1uez h VAL 76 N 0.00 0.34 -0.16 0.00 2.07 -1.41 0.98 116.25 118.08 1uez h VAL 76 Ca 0.48 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.04 1uez h VAL 76 Cb 0.75 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1uez h VAL 76 CO -1.00 0.00 0.42 0.11 0.02 0.00 0.00 177.57 177.12 1uez h LYS 77 N -0.60 0.00 0.13 1.57 1.57 0.25 0.44 116.57 119.93 1uez h LYS 77 Ca 0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.45 1uez h LYS 77 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1uez h LYS 77 CO -0.12 0.00 -1.80 0.00 -0.57 0.00 0.00 179.45 176.96 1uez h ALA 78 N 1.30 0.31 -0.25 3.86 0.00 0.23 -3.39 119.26 121.33 1uez h ALA 78 Ca 0.07 -1.27 -0.71 0.00 0.00 0.00 0.00 54.91 53.00 1uez h ALA 78 Cb 0.92 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1uez h ALA 78 CO -0.00 1.12 3.00 1.28 0.00 0.00 0.00 179.25 184.65 1uez n LEU 79 N -3.64 7.35 -4.53 0.00 4.77 0.31 -4.86 117.00 116.39 1uez n LEU 79 Ca -0.29 -4.36 -0.26 0.00 -0.03 0.00 0.00 56.01 51.06 1uez n LEU 79 Cb 1.01 -1.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 1uez n LEU 79 CO 0.43 1.46 -0.19 -0.54 -1.33 0.00 0.00 177.39 177.23 1uez s LYS 80 N 2.00 1.98 0.51 3.23 1.02 -1.23 -4.87 119.74 122.38 1uez s LYS 80 Ca 0.51 -2.22 -0.20 0.00 0.02 0.00 0.00 55.97 54.08 1uez s LYS 80 Cb 0.14 -0.62 -0.09 0.00 -0.52 0.00 0.00 37.83 36.75 1uez s LYS 80 CO -0.06 -0.51 0.76 0.41 -0.92 0.00 0.00 175.35 175.03 1uez n GLY 81 N -0.95 -0.88 0.00 -3.33 0.00 -1.26 -4.94 105.19 93.83 1uez n GLY 81 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.33 0.00 -4.52 1.61 2.88 -1.26 -5.07 113.62 107.59 1uez n SER 82 Ca 0.11 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.35 1uez n SER 82 Cb 0.44 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.25 0.28 -2.38 -1.46 5.02 -1.26 -3.43 118.16 114.68 1uez n LYS 83 Ca 0.00 -0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 1uez n LYS 83 Cb 0.00 -2.05 -0.01 0.00 -0.02 0.00 0.00 35.03 32.95 1uez n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1uez n LYS 84 N 7.76 -4.54 -3.01 1.97 3.00 -1.26 -4.85 118.16 117.23 1uez n LYS 84 Ca 0.58 3.31 -0.43 0.00 -0.00 0.00 0.00 58.31 61.77 1uez n LYS 84 Cb 0.22 -4.30 -0.05 0.00 0.00 0.00 0.00 35.03 30.90 1uez n LYS 84 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1uez s LEU 85 N -0.54 4.70 -0.46 3.14 2.96 -1.22 -4.89 118.68 122.37 1uez s LEU 85 Ca -0.05 -0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 52.81 1uez s LEU 85 Cb 0.00 -2.51 0.04 0.00 0.50 0.00 0.00 46.19 44.22 1uez s LEU 85 CO 0.13 -1.13 0.50 -0.69 -1.32 0.00 0.00 176.35 173.84 1uez s VAL 86 N 3.27 5.04 -0.26 1.68 1.01 -1.26 -3.50 120.40 126.38 1uez s VAL 86 Ca 0.20 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 1uez s VAL 86 Cb -0.18 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1uez s VAL 86 CO 0.12 -0.58 1.00 -0.76 0.00 0.00 0.00 175.10 174.88 1uez s LEU 87 N 2.23 4.06 -0.60 3.92 2.01 0.58 -1.79 118.68 129.09 1uez s LEU 87 Ca 0.12 1.21 -0.20 0.00 0.01 0.00 0.00 54.13 55.26 1uez s LEU 87 Cb -0.19 -3.45 0.09 0.00 0.01 0.00 0.00 46.19 42.64 1uez s LEU 87 CO 0.12 -0.69 0.78 -0.44 1.01 0.00 0.00 176.35 177.13 1uez s SER 88 N 1.35 6.19 0.20 2.29 0.01 -0.98 0.54 113.70 123.30 1uez s SER 88 Ca 0.42 -1.19 0.08 0.00 1.31 0.00 0.00 55.95 56.57 1uez s SER 88 Cb -0.14 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1uez s SER 88 CO 0.09 -1.18 0.03 0.68 0.41 0.00 0.00 173.24 173.26 1uez s VAL 89 N 3.13 3.78 0.03 3.43 -7.23 -0.58 -0.19 120.40 122.78 1uez s VAL 89 Ca 0.16 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 1uez s VAL 89 Cb -0.21 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1uez s VAL 89 CO 0.09 -0.20 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.15 1uez s TYR 90 N -1.92 2.90 0.13 2.82 5.04 -1.07 -0.46 117.35 124.81 1uez s TYR 90 Ca 0.29 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.92 1uez s TYR 90 Cb -0.08 -1.58 -0.04 0.00 0.35 0.00 0.00 41.96 40.60 1uez s TYR 90 CO 0.20 0.40 -0.10 -1.54 -1.34 0.00 0.00 175.55 173.17 1uez s SER 91 N -1.66 1.69 -0.02 4.32 1.04 -1.08 -4.44 113.70 113.55 1uez s SER 91 Ca 0.19 -0.97 -0.26 0.00 0.48 0.00 0.00 55.95 55.39 1uez s SER 91 Cb -0.11 -0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.06 1uez s SER 91 CO 0.10 -0.32 0.58 0.00 0.98 0.00 0.00 173.24 174.57 1uez s ALA 92 N -3.17 -1.49 0.60 5.32 0.00 -1.26 -2.94 121.76 118.82 1uez s ALA 92 Ca 0.14 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1uez s ALA 92 Cb 0.02 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1uez s ALA 92 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1uez n GLY 93 N 0.85 -4.06 3.59 0.00 0.00 -1.26 -4.77 105.19 99.54 1uez n GLY 93 Ca -0.19 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.51 1uez n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uez n ARG 94 N -2.75 1.31 -4.35 1.61 0.00 -1.26 -4.98 116.66 106.23 1uez n ARG 94 Ca -0.01 0.46 -0.24 0.00 -0.00 0.00 0.00 57.85 58.06 1uez n ARG 94 Cb 0.51 -1.85 -0.08 0.00 0.00 0.00 0.00 32.46 31.03 1uez n ARG 94 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1uez s ILE 95 N -0.87 2.82 0.18 5.15 -4.36 -1.26 -5.14 121.20 117.71 1uez s ILE 95 Ca 0.62 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 59.02 1uez s ILE 95 Cb -0.73 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.23 1uez s ILE 95 CO 0.58 -0.29 0.10 -0.44 0.24 0.00 0.00 174.94 175.14 1uez s SER 96 N -3.66 5.28 0.52 4.36 0.01 -1.26 -5.13 113.70 113.81 1uez s SER 96 Ca 0.33 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.42 1uez s SER 96 Cb -0.03 -1.30 0.05 0.00 0.21 0.00 0.00 66.02 64.95 1uez s SER 96 CO 0.19 0.06 0.71 -0.83 0.41 0.00 0.00 173.24 173.78 1uez s GLY 97 N -3.16 1.84 1.09 3.44 0.00 -1.26 -5.12 107.32 104.15 1uez s GLY 97 Ca 0.30 -1.79 -0.18 0.00 0.00 0.00 0.00 44.72 43.05 1uez s GLY 97 CO 0.22 -1.47 1.22 2.56 0.00 0.00 0.00 173.10 175.64 1uez s PRO 98 N -4.59 -0.34 0.64 2.90 0.04 -1.26 -5.06 135.00 127.33 1uez s PRO 98 Ca 0.59 -0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.30 1uez s PRO 98 Cb -0.08 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.77 1uez s PRO 98 CO 0.37 -3.09 0.94 0.45 0.04 0.00 0.00 177.00 175.71 1uez s SER 99 N -4.42 5.22 0.41 6.66 0.15 -1.26 -5.09 113.70 115.37 1uez s SER 99 Ca 0.73 0.54 0.04 0.00 0.70 0.00 0.00 55.95 57.96 1uez s SER 99 Cb -0.06 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1uez s SER 99 CO 0.54 -1.30 0.58 -0.44 1.20 0.00 0.00 173.24 173.82 1uez s SER 100 N -4.41 5.78 0.00 5.45 0.01 -1.26 -5.28 113.70 114.00 1uez s SER 100 Ca 0.57 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1uez s SER 100 Cb -0.11 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1uez s SER 100 CO 0.44 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 174.04