#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxz s GLN 2 N 0.00 3.23 -0.19 0.54 0.74 -1.26 -5.10 119.66 117.61 2uxz s GLN 2 Ca 0.00 -0.72 -0.04 0.00 0.05 0.00 0.00 55.36 54.65 2uxz s GLN 2 Cb 0.00 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.36 2uxz s GLN 2 CO 0.00 -0.09 -0.03 0.42 -0.55 0.00 0.00 175.29 175.04 2uxz s ILE 3 N 1.09 3.65 0.67 -2.34 1.09 -1.26 -5.11 121.20 119.00 2uxz s ILE 3 Ca 0.00 -0.42 -0.09 0.00 -1.10 0.00 0.00 60.65 59.04 2uxz s ILE 3 Cb -0.14 -2.64 0.02 0.00 -1.06 0.00 0.00 42.46 38.64 2uxz s ILE 3 CO -0.04 0.44 1.03 0.42 -0.10 0.00 0.00 174.94 176.69 2uxz s THR 4 N 1.03 3.40 -0.27 2.92 -4.23 -1.26 -5.00 115.64 112.22 2uxz s THR 4 Ca 0.01 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.92 2uxz s THR 4 Cb -0.15 -3.42 0.57 0.00 1.34 0.00 0.00 72.50 70.85 2uxz s THR 4 CO 0.01 -0.50 1.47 0.18 -0.54 0.00 0.00 174.62 175.24 2uxz n LEU 5 N -2.87 4.15 0.14 4.79 4.77 -1.26 -4.50 117.00 122.22 2uxz n LEU 5 Ca 0.06 -2.92 0.04 0.00 -0.03 0.00 0.00 56.01 53.17 2uxz n LEU 5 Cb 0.58 -0.55 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 2uxz n LEU 5 CO 0.56 0.68 0.99 -0.50 -1.33 0.00 0.00 177.39 177.78 2uxz h TRP 6 N 2.25 0.22 -2.97 -1.77 -0.00 -2.06 -3.43 115.95 108.19 2uxz h TRP 6 Ca 0.00 -0.01 -0.44 0.00 -0.00 0.00 0.00 58.89 58.44 2uxz h TRP 6 Cb 1.48 -0.07 -0.14 0.00 -0.00 0.00 0.00 29.16 30.44 2uxz h TRP 6 CO 0.58 0.26 -0.66 -0.65 -0.00 0.00 0.00 178.44 177.96 2uxz s GLN 7 N -4.96 1.45 0.29 0.49 1.11 -1.26 -5.10 119.66 111.68 2uxz s GLN 7 Ca -0.06 -1.73 -0.30 0.00 0.01 0.00 0.00 55.36 53.28 2uxz s GLN 7 Cb 0.16 -0.89 -0.12 0.00 -1.01 0.00 0.00 33.01 31.15 2uxz s GLN 7 CO 0.71 -0.03 1.45 0.54 0.01 0.00 0.00 175.29 177.97 2uxz n ARG 8 N -0.50 2.33 -2.38 2.91 1.74 -1.26 -4.84 116.66 114.65 2uxz n ARG 8 Ca -0.05 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.43 2uxz n ARG 8 Cb 0.64 -2.51 -0.00 0.00 -1.02 0.00 0.00 32.46 29.56 2uxz n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2uxz n PRO 9 N 1.58 3.06 -3.40 5.56 -0.04 -1.26 -4.96 135.00 135.53 2uxz n PRO 9 Ca 0.08 -3.10 -0.38 0.00 -0.04 0.00 0.00 63.50 60.05 2uxz n PRO 9 Cb 0.35 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 2uxz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2uxz s LEU 10 N 4.01 4.45 0.16 1.53 1.43 -1.26 -1.48 118.68 127.51 2uxz s LEU 10 Ca 0.53 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 2uxz s LEU 10 Cb 0.06 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2uxz s LEU 10 CO 0.05 0.24 0.03 0.68 0.23 0.00 0.00 176.35 177.58 2uxz s VAL 11 N -0.72 0.43 -0.09 -1.59 -7.23 0.89 -4.93 120.40 107.17 2uxz s VAL 11 Ca 0.26 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.33 2uxz s VAL 11 Cb -0.17 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2uxz s VAL 11 CO 0.14 -0.47 0.37 -0.89 -0.31 0.00 0.00 175.10 173.94 2uxz s THR 12 N -3.82 5.19 0.14 5.32 2.01 -1.26 -0.02 115.64 123.19 2uxz s THR 12 Ca 0.24 0.72 0.09 0.00 0.31 0.00 0.00 61.69 63.05 2uxz s THR 12 Cb 0.07 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2uxz s THR 12 CO 0.03 0.47 -0.20 0.27 -0.69 0.00 0.00 174.62 174.50 2uxz s ILE 13 N -0.22 1.82 -0.19 1.82 -4.36 0.70 -3.11 121.20 117.65 2uxz s ILE 13 Ca 0.21 -1.76 -0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2uxz s ILE 13 Cb -0.15 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.83 2uxz s ILE 13 CO 0.09 -0.19 -0.15 -0.75 0.24 0.00 0.00 174.94 174.18 2uxz s LYS 14 N -2.40 3.11 -0.15 0.37 2.20 0.06 -1.21 119.74 121.72 2uxz s LYS 14 Ca 0.12 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.86 2uxz s LYS 14 Cb -0.08 -2.69 0.05 0.00 -1.51 0.00 0.00 37.83 33.60 2uxz s LYS 14 CO 0.06 -0.19 0.37 -1.50 -0.36 0.00 0.00 175.35 173.72 2uxz s ILE 15 N 1.31 -0.02 -1.93 5.43 2.07 -0.35 -1.47 121.20 126.25 2uxz s ILE 15 Ca 0.05 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 2uxz s ILE 15 Cb -0.13 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.92 2uxz s ILE 15 CO -0.09 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 2uxz n GLY 16 N 3.69 0.79 2.44 1.50 0.00 -1.26 -0.87 105.19 111.47 2uxz n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2uxz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxz n GLY 17 N -0.66 1.09 3.75 -0.02 0.00 -1.26 -5.03 105.19 103.06 2uxz n GLY 17 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2uxz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uxz s GLN 18 N -0.19 2.82 -0.16 1.61 -0.21 -0.05 -5.11 119.66 118.37 2uxz s GLN 18 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 55.36 54.61 2uxz s GLN 18 Cb 0.00 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2uxz s GLN 18 CO 0.00 0.57 0.08 -0.51 -2.12 0.00 0.00 175.29 173.32 2uxz s LEU 19 N -2.26 3.98 0.08 2.90 1.43 -1.26 -1.20 118.68 122.34 2uxz s LEU 19 Ca 0.27 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 2uxz s LEU 19 Cb -0.12 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 2uxz s LEU 19 CO 0.20 0.24 0.10 -0.54 0.23 0.00 0.00 176.35 176.58 2uxz s LYS 20 N -0.02 0.77 -0.18 1.70 1.02 -0.35 -4.98 119.74 117.70 2uxz s LYS 20 Ca 0.07 -1.10 -0.09 0.00 0.02 0.00 0.00 55.97 54.87 2uxz s LYS 20 Cb -0.12 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.43 2uxz s LYS 20 CO 0.01 -0.21 0.13 -2.00 -0.92 0.00 0.00 175.35 172.35 2uxz s GLU 21 N -3.90 3.96 0.09 1.68 2.12 -1.26 -0.21 118.70 121.17 2uxz s GLU 21 Ca 0.07 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2uxz s GLU 21 Cb 0.06 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2uxz s GLU 21 CO -0.09 0.43 -0.03 0.00 -0.54 0.00 0.00 175.26 175.03 2uxz s ALA 22 N -0.03 0.79 -0.20 6.30 0.00 0.97 -4.51 121.76 125.07 2uxz s ALA 22 Ca 0.10 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 2uxz s ALA 22 Cb -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2uxz s ALA 22 CO -0.00 -0.33 0.09 -1.17 0.00 0.00 0.00 175.76 174.35 2uxz s LEU 23 N -3.00 3.88 -0.42 0.00 2.96 0.04 -0.07 118.68 122.06 2uxz s LEU 23 Ca 0.12 0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 2uxz s LEU 23 Cb 0.07 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.77 2uxz s LEU 23 CO -0.06 0.13 1.23 -0.76 -1.32 0.00 0.00 176.35 175.57 2uxz s LEU 24 N 0.67 3.68 -0.36 -0.68 1.43 -0.55 -0.62 118.68 122.25 2uxz s LEU 24 Ca 0.05 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2uxz s LEU 24 Cb -0.13 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2uxz s LEU 24 CO 0.01 -1.25 0.09 -0.62 0.23 0.00 0.00 176.35 174.82 2uxz s ASP 25 N 2.83 4.90 0.35 2.29 -1.08 -0.47 -4.79 116.67 120.70 2uxz s ASP 25 Ca 0.52 -2.11 0.27 0.00 -0.52 0.00 0.00 52.55 50.71 2uxz s ASP 25 Cb -0.10 -1.69 1.18 0.00 -1.46 0.00 0.00 42.92 40.85 2uxz s ASP 25 CO 0.29 -0.42 1.80 0.71 0.52 0.00 0.00 175.17 178.07 2uxz h THR 26 N 6.54 0.00 -0.20 1.71 1.35 -1.93 -2.08 112.91 118.30 2uxz h THR 26 Ca -0.07 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2uxz h THR 26 Cb 1.03 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2uxz h THR 26 CO 0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2uxz n GLY 27 N -0.26 0.71 3.56 5.82 0.00 -1.26 -4.83 105.19 108.93 2uxz n GLY 27 Ca 0.01 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 2uxz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxz s ALA 28 N -1.75 3.37 0.12 4.61 0.00 -0.78 -4.99 121.76 122.34 2uxz s ALA 28 Ca 0.34 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 2uxz s ALA 28 Cb 0.19 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.11 2uxz s ALA 28 CO 0.29 -0.26 1.47 -0.44 0.00 0.00 0.00 175.76 176.82 2uxz h ASP 29 N 7.70 0.81 -0.92 0.00 5.19 -1.89 0.60 116.42 127.91 2uxz h ASP 29 Ca -0.37 -0.43 -0.63 0.00 -0.62 0.00 0.00 57.03 54.98 2uxz h ASP 29 Cb 1.18 -0.22 -0.10 0.00 0.18 0.00 0.00 39.33 40.36 2uxz h ASP 29 CO 0.62 1.06 -0.48 -1.81 -3.12 0.00 0.00 179.24 175.51 2uxz s ASP 30 N -6.54 4.25 -0.17 6.45 1.01 -1.26 -3.33 116.67 117.09 2uxz s ASP 30 Ca -0.12 -1.39 -0.03 0.00 0.71 0.00 0.00 52.55 51.71 2uxz s ASP 30 Cb 0.10 0.10 -0.02 0.00 1.01 0.00 0.00 42.92 44.11 2uxz s ASP 30 CO 0.83 -0.76 -0.05 -0.89 0.21 0.00 0.00 175.17 174.52 2uxz s THR 31 N -2.76 3.66 -0.03 -1.27 2.01 -1.26 -2.87 115.64 113.13 2uxz s THR 31 Ca 0.25 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.84 2uxz s THR 31 Cb 0.03 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.93 2uxz s THR 31 CO 0.14 0.47 -0.05 0.54 -0.69 0.00 0.00 174.62 175.03 2uxz s VAL 32 N 0.72 0.48 0.24 3.82 0.11 -0.63 -0.50 120.40 124.64 2uxz s VAL 32 Ca -0.02 -0.15 0.11 0.00 -2.93 0.00 0.00 61.98 58.99 2uxz s VAL 32 Cb -0.15 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2uxz s VAL 32 CO 0.02 0.19 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.01 2uxz s LEU 33 N 0.56 2.52 0.98 2.54 1.43 0.60 -0.76 118.68 126.55 2uxz s LEU 33 Ca -0.07 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 2uxz s LEU 33 Cb -0.11 -1.10 0.18 0.00 0.03 0.00 0.00 46.19 45.20 2uxz s LEU 33 CO -0.00 0.06 1.10 -1.61 0.23 0.00 0.00 176.35 176.13 2uxz s GLU 34 N -3.15 0.55 -0.04 1.70 2.02 -1.26 -1.60 118.70 116.91 2uxz s GLU 34 Ca 0.25 1.20 -0.40 0.00 0.02 0.00 0.00 54.97 56.05 2uxz s GLU 34 Cb -0.06 -1.70 -0.18 0.00 0.10 0.00 0.00 34.13 32.29 2uxz s GLU 34 CO 0.12 -2.84 1.27 0.39 0.02 0.00 0.00 175.26 174.23 2uxz n GLU 35 N -4.34 0.50 -3.61 1.61 -0.58 -1.22 -4.55 120.64 108.44 2uxz n GLU 35 Ca 0.08 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.93 2uxz n GLU 35 Cb 0.53 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 2uxz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uxz s MET 36 N 0.77 1.07 -0.01 3.49 0.23 -1.26 -5.04 119.30 118.55 2uxz s MET 36 Ca 0.91 -0.50 -0.14 0.00 -1.03 0.00 0.00 55.69 54.93 2uxz s MET 36 Cb -1.17 0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 32.50 2uxz s MET 36 CO 0.57 -0.48 0.39 0.45 -2.03 0.00 0.00 175.02 173.91 2uxz s SER 37 N -2.71 6.77 0.02 -1.18 0.15 -1.26 -5.03 113.70 110.45 2uxz s SER 37 Ca 0.08 0.92 0.01 0.00 0.70 0.00 0.00 55.95 57.65 2uxz s SER 37 Cb -0.01 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2uxz s SER 37 CO -0.04 0.33 -0.05 -0.76 1.20 0.00 0.00 173.24 173.91 2uxz s LEU 38 N -1.12 2.18 0.56 3.45 1.43 -1.26 -4.94 118.68 118.98 2uxz s LEU 38 Ca 0.23 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2uxz s LEU 38 Cb -0.16 -0.08 -0.06 0.00 0.03 0.00 0.00 46.19 45.92 2uxz s LEU 38 CO 0.13 -0.16 1.01 -2.16 0.23 0.00 0.00 176.35 175.40 2uxz s PRO 39 N -1.10 3.69 0.34 1.29 0.04 -1.26 -4.95 135.00 133.05 2uxz s PRO 39 Ca -0.09 0.99 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2uxz s PRO 39 Cb -0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2uxz s PRO 39 CO -0.00 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2uxz n GLY 40 N -1.62 -2.31 3.87 0.56 0.00 -1.26 -4.96 105.19 99.46 2uxz n GLY 40 Ca 0.07 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 2uxz n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2uxz s ARG 41 N -0.29 3.50 0.12 1.61 3.03 -1.26 -5.09 118.95 120.58 2uxz s ARG 41 Ca 0.00 0.73 -0.14 0.00 2.03 0.00 0.00 55.73 58.35 2uxz s ARG 41 Cb 0.00 -2.07 0.02 0.00 -1.03 0.00 0.00 34.95 31.87 2uxz s ARG 41 CO 0.00 -0.64 0.34 1.67 -1.13 0.00 0.00 175.30 175.55 2uxz s TRP 42 N -3.19 -0.08 0.03 5.89 1.48 -1.26 -4.42 118.94 117.38 2uxz s TRP 42 Ca 0.55 -0.27 0.00 0.00 -1.06 0.00 0.00 56.10 55.32 2uxz s TRP 42 Cb -0.11 0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 32.34 2uxz s TRP 42 CO 0.54 -0.67 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.14 2uxz s LYS 43 N -3.83 0.36 0.58 3.25 -2.85 -0.86 -4.92 119.74 111.47 2uxz s LYS 43 Ca 0.04 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 54.15 2uxz s LYS 43 Cb 0.03 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2uxz s LYS 43 CO -0.11 -0.05 1.09 -1.25 0.10 0.00 0.00 175.35 175.13 2uxz s PRO 44 N -1.72 3.28 -0.04 1.78 0.04 -1.26 -0.51 135.00 136.56 2uxz s PRO 44 Ca -0.13 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.11 2uxz s PRO 44 Cb -0.08 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2uxz s PRO 44 CO -0.02 -0.87 0.46 0.21 0.04 0.00 0.00 177.00 176.82 2uxz s LYS 45 N -3.68 0.80 -0.15 4.56 2.20 -0.73 -4.84 119.74 117.90 2uxz s LYS 45 Ca 0.68 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.33 2uxz s LYS 45 Cb -0.20 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2uxz s LYS 45 CO 0.32 -0.23 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.35 2uxz s MET 46 N -1.13 3.48 0.02 4.03 -1.94 -1.26 -0.73 119.30 121.77 2uxz s MET 46 Ca -0.11 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.32 2uxz s MET 46 Cb -0.03 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 2uxz s MET 46 CO 0.06 0.17 -0.23 0.96 -0.01 0.00 0.00 175.02 175.97 2uxz s ILE 47 N 0.49 1.83 0.09 2.53 -4.36 -0.67 -4.95 121.20 116.16 2uxz s ILE 47 Ca -0.07 -1.17 0.05 0.00 -0.26 0.00 0.00 60.65 59.21 2uxz s ILE 47 Cb -0.15 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 2uxz s ILE 47 CO 0.04 0.35 -0.02 -0.83 0.24 0.00 0.00 174.94 174.71 2uxz s GLY 48 N -0.97 1.89 0.00 6.27 0.00 -1.26 -1.37 107.32 111.88 2uxz s GLY 48 Ca 0.09 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2uxz s GLY 48 CO 0.01 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.61 2uxz n GLY 49 N 0.64 3.42 3.66 0.20 0.00 -0.35 -4.98 105.19 107.78 2uxz n GLY 49 Ca -0.12 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 2uxz n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2uxz s ILE 50 N -2.29 4.23 0.00 -0.61 -4.36 -1.26 -2.18 121.20 114.73 2uxz s ILE 50 Ca 0.00 1.48 0.00 0.00 -0.26 0.00 0.00 60.65 61.87 2uxz s ILE 50 Cb 0.00 -3.98 0.00 0.00 1.25 0.00 0.00 42.46 39.73 2uxz s ILE 50 CO 0.00 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.64 2uxz n GLY 51 N 3.69 2.08 0.00 6.27 0.00 -1.26 -5.05 105.19 110.92 2uxz n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2uxz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxz n GLY 52 N 0.00 0.60 3.82 -0.02 0.00 -0.93 -5.09 105.19 103.58 2uxz n GLY 52 Ca 0.00 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.60 2uxz n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2uxz s PHE 53 N -0.84 3.20 0.06 1.61 0.40 -1.26 -1.21 117.98 119.94 2uxz s PHE 53 Ca 0.00 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2uxz s PHE 53 Cb 0.00 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 2uxz s PHE 53 CO 0.00 0.52 -0.08 0.96 0.70 0.00 0.00 175.22 177.32 2uxz s ILE 54 N -1.79 0.62 -0.11 0.64 -4.36 -0.47 -4.97 121.20 110.77 2uxz s ILE 54 Ca 0.32 -1.39 -0.14 0.00 -0.26 0.00 0.00 60.65 59.17 2uxz s ILE 54 Cb -0.10 -1.01 -0.05 0.00 1.25 0.00 0.00 42.46 42.55 2uxz s ILE 54 CO 0.24 -0.55 0.35 -0.75 0.24 0.00 0.00 174.94 174.47 2uxz s LYS 55 N -2.39 4.12 0.27 0.37 2.20 -1.26 -1.67 119.74 121.38 2uxz s LYS 55 Ca -0.02 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.84 2uxz s LYS 55 Cb -0.05 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2uxz s LYS 55 CO -0.01 0.39 0.08 0.14 -0.36 0.00 0.00 175.35 175.59 2uxz s VAL 56 N -0.03 0.71 -0.18 4.02 -7.23 0.09 -4.41 120.40 113.37 2uxz s VAL 56 Ca 0.20 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 2uxz s VAL 56 Cb -0.14 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2uxz s VAL 56 CO 0.08 -0.02 0.04 -0.13 -0.31 0.00 0.00 175.10 174.75 2uxz s ARG 57 N -4.00 3.89 -0.29 4.82 0.52 0.12 -1.78 118.95 122.24 2uxz s ARG 57 Ca 0.37 -0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 2uxz s ARG 57 Cb 0.08 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2uxz s ARG 57 CO 0.14 0.25 0.19 -1.14 0.02 0.00 0.00 175.30 174.75 2uxz s GLN 58 N 0.41 3.83 -0.15 3.54 0.74 0.33 -0.62 119.66 127.74 2uxz s GLN 58 Ca 0.01 -0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 2uxz s GLN 58 Cb -0.13 -3.65 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 2uxz s GLN 58 CO 0.01 -0.23 -0.11 0.71 -0.55 0.00 0.00 175.29 175.12 2uxz s TYR 59 N 1.74 2.86 0.28 1.67 1.51 -0.53 -2.03 117.35 122.85 2uxz s TYR 59 Ca 0.07 -0.68 0.06 0.00 -1.01 0.00 0.00 57.07 55.50 2uxz s TYR 59 Cb -0.16 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2uxz s TYR 59 CO 0.10 -0.26 0.38 -0.51 -1.11 0.00 0.00 175.55 174.15 2uxz s ASP 60 N 0.55 6.05 -1.32 2.29 1.01 -1.26 -0.56 116.67 123.43 2uxz s ASP 60 Ca -0.07 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.07 2uxz s ASP 60 Cb -0.15 -1.52 -0.00 0.00 1.01 0.00 0.00 42.92 42.25 2uxz s ASP 60 CO 0.03 -0.22 0.61 0.00 0.21 0.00 0.00 175.17 175.80 2uxz n GLN 61 N -1.47 -3.74 -3.82 8.23 6.02 -1.20 -4.90 117.38 116.49 2uxz n GLN 61 Ca -0.05 0.52 -0.35 0.00 -0.01 0.00 0.00 57.00 57.11 2uxz n GLN 61 Cb 0.58 -4.80 -0.08 0.00 1.02 0.00 0.00 30.24 26.95 2uxz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2uxz s ILE 62 N -3.75 5.24 0.16 5.09 -1.09 -0.05 -4.81 121.20 122.00 2uxz s ILE 62 Ca 0.07 0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2uxz s ILE 62 Cb -0.02 -3.38 -0.07 0.00 -1.58 0.00 0.00 42.46 37.41 2uxz s ILE 62 CO 0.85 0.46 1.00 -0.76 -1.23 0.00 0.00 174.94 175.25 2uxz s LEU 63 N 0.29 4.53 0.02 2.97 1.02 -1.26 -1.78 118.68 124.46 2uxz s LEU 63 Ca 0.07 1.93 -0.09 0.00 0.02 0.00 0.00 54.13 56.06 2uxz s LEU 63 Cb -0.11 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.50 2uxz s LEU 63 CO -0.01 -0.07 0.18 -0.51 0.02 0.00 0.00 176.35 175.96 2uxz s ILE 64 N -0.36 0.09 -0.11 -0.59 2.07 -0.54 -4.48 121.20 117.29 2uxz s ILE 64 Ca 0.46 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 2uxz s ILE 64 Cb -0.26 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.66 2uxz s ILE 64 CO 0.32 -0.43 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.12 2uxz s GLU 65 N -1.97 1.79 -0.24 3.50 2.12 -0.54 -1.51 118.70 121.84 2uxz s GLU 65 Ca -0.10 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2uxz s GLU 65 Cb -0.04 -1.70 0.04 0.00 0.26 0.00 0.00 34.13 32.69 2uxz s GLU 65 CO -0.01 -0.20 -0.11 0.42 -0.54 0.00 0.00 175.26 174.82 2uxz s ILE 66 N 1.45 2.34 -1.52 -3.70 1.01 -0.06 -0.76 121.20 119.96 2uxz s ILE 66 Ca 0.01 -1.33 -0.13 0.00 0.00 0.00 0.00 60.65 59.21 2uxz s ILE 66 Cb -0.13 -2.24 0.08 0.00 0.01 0.00 0.00 42.46 40.17 2uxz s ILE 66 CO -0.07 0.15 0.94 0.00 0.00 0.00 0.00 174.94 175.97 2uxz n GLY 68 N -1.66 2.51 3.63 0.00 0.00 -1.26 -5.01 105.19 103.40 2uxz n GLY 68 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2uxz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uxz s HIS 69 N -2.24 3.29 0.29 1.61 4.02 0.05 -5.05 115.29 117.26 2uxz s HIS 69 Ca 0.00 0.87 -0.19 0.00 1.02 0.00 0.00 55.06 56.76 2uxz s HIS 69 Cb 0.00 -2.87 -0.09 0.00 -1.02 0.00 0.00 32.58 28.60 2uxz s HIS 69 CO 0.00 -0.33 0.78 0.15 1.02 0.00 0.00 174.74 176.36 2uxz s LYS 70 N 2.51 4.21 0.25 1.40 1.02 -1.26 -0.88 119.74 126.99 2uxz s LYS 70 Ca 0.27 0.88 -0.21 0.00 0.02 0.00 0.00 55.97 56.93 2uxz s LYS 70 Cb -0.15 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2uxz s LYS 70 CO 0.08 0.26 0.69 0.00 -0.92 0.00 0.00 175.35 175.47 2uxz s ALA 71 N -1.75 -1.31 0.01 5.17 0.00 -0.57 -4.83 121.76 118.49 2uxz s ALA 71 Ca 0.49 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2uxz s ALA 71 Cb -0.14 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2uxz s ALA 71 CO 0.19 -0.97 -0.04 -1.50 0.00 0.00 0.00 175.76 173.44 2uxz s ILE 72 N -3.88 0.30 -0.66 0.00 2.07 -1.26 -1.47 121.20 116.30 2uxz s ILE 72 Ca 0.09 -0.46 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 2uxz s ILE 72 Cb -0.05 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.23 2uxz s ILE 72 CO 0.02 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.54 2uxz n GLY 73 N 2.45 -1.29 3.72 1.50 0.00 -0.74 -4.90 105.19 105.93 2uxz n GLY 73 Ca -0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2uxz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uxz s THR 74 N -2.56 4.71 -0.09 2.61 2.01 -1.26 -0.87 115.64 120.19 2uxz s THR 74 Ca 0.00 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.08 2uxz s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.20 2uxz s THR 74 CO 0.00 0.23 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.27 2uxz s VAL 75 N 0.55 1.75 -0.10 3.82 1.01 0.28 -4.47 120.40 123.23 2uxz s VAL 75 Ca 0.49 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2uxz s VAL 75 Cb -0.22 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2uxz s VAL 75 CO 0.28 0.49 0.15 -0.76 0.00 0.00 0.00 175.10 175.26 2uxz s LEU 76 N 0.50 4.39 -0.10 3.92 1.43 0.34 -1.45 118.68 127.71 2uxz s LEU 76 Ca -0.16 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2uxz s LEU 76 Cb -0.17 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.91 2uxz s LEU 76 CO 0.06 0.39 -0.16 -0.69 0.23 0.00 0.00 176.35 176.18 2uxz s VAL 77 N -1.07 1.56 0.00 -1.59 1.01 0.20 -0.29 120.40 120.23 2uxz s VAL 77 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2uxz s VAL 77 Cb -0.12 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2uxz s VAL 77 CO 0.06 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2uxz n GLY 78 N 4.06 0.61 2.35 4.51 0.00 -0.63 0.14 105.19 116.22 2uxz n GLY 78 Ca -0.20 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 2uxz n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uxz n PRO 79 N 0.00 2.04 -3.17 1.61 -0.04 -1.26 -3.38 135.00 130.80 2uxz n PRO 79 Ca 0.00 -1.24 -0.38 0.00 -0.04 0.00 0.00 63.50 61.84 2uxz n PRO 79 Cb 0.00 -2.24 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 2uxz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2uxz s THR 80 N 2.39 4.62 0.37 0.52 -1.32 -1.26 -4.98 115.64 115.98 2uxz s THR 80 Ca 0.48 1.32 0.19 0.00 -1.21 0.00 0.00 61.69 62.47 2uxz s THR 80 Cb 0.17 -3.94 0.19 0.00 -1.51 0.00 0.00 72.50 67.41 2uxz s THR 80 CO -0.02 0.45 1.94 1.55 -2.21 0.00 0.00 174.62 176.32 2uxz h PRO 81 N 4.15 0.00 -3.68 7.08 0.13 -1.98 -3.43 132.00 134.28 2uxz h PRO 81 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2uxz h PRO 81 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2uxz h PRO 81 CO 0.65 0.24 -0.44 0.14 -0.23 0.00 0.00 178.00 178.36 2uxz s VAL 82 N -4.20 0.12 0.06 1.56 -7.23 -1.26 -5.08 120.40 104.37 2uxz s VAL 82 Ca -0.03 -1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.84 2uxz s VAL 82 Cb 0.14 -0.95 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2uxz s VAL 82 CO 0.66 -0.55 1.19 0.20 -0.31 0.00 0.00 175.10 176.29 2uxz s ASN 83 N -2.18 7.09 -0.12 4.85 0.01 -1.26 -4.75 114.94 118.58 2uxz s ASN 83 Ca -0.04 2.00 0.02 0.00 -0.71 0.00 0.00 52.86 54.13 2uxz s ASN 83 Cb -0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2uxz s ASN 83 CO -0.05 -0.47 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.26 2uxz s ILE 84 N 1.10 1.76 -0.35 0.60 -1.09 0.06 -0.78 121.20 122.50 2uxz s ILE 84 Ca 0.58 -0.81 -0.15 0.00 -2.23 0.00 0.00 60.65 58.05 2uxz s ILE 84 Cb -0.29 -1.58 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 2uxz s ILE 84 CO 0.29 0.49 0.33 -0.63 -1.23 0.00 0.00 174.94 174.20 2uxz s ILE 85 N 0.81 5.20 0.69 2.92 -1.09 0.21 -1.60 121.20 128.34 2uxz s ILE 85 Ca -0.09 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 2uxz s ILE 85 Cb -0.16 -3.82 0.11 0.00 -1.58 0.00 0.00 42.46 37.02 2uxz s ILE 85 CO 0.00 -0.11 0.95 -0.83 -1.23 0.00 0.00 174.94 173.73 2uxz s GLY 86 N 1.73 1.77 0.54 6.18 0.00 -1.14 -1.37 107.32 115.03 2uxz s GLY 86 Ca 0.10 -1.69 0.25 0.00 0.00 0.00 0.00 44.72 43.37 2uxz s GLY 86 CO 0.11 -1.17 2.02 3.21 0.00 0.00 0.00 173.10 177.28 2uxz h ARG 87 N -0.40 0.00 -0.01 2.90 3.08 -0.97 -1.70 114.38 117.28 2uxz h ARG 87 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2uxz h ARG 87 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2uxz h ARG 87 CO 0.42 0.00 0.01 -2.95 -1.07 0.00 0.00 179.97 176.38 2uxz h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.81 -2.02 115.58 117.72 2uxz h ASN 88 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.35 2uxz h ASN 88 Cb 0.82 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.03 2uxz h ASN 88 CO -0.00 0.00 -1.84 0.18 0.07 0.00 0.00 177.43 175.84 2uxz n LEU 89 N -3.75 0.00 -0.11 6.14 4.77 -0.72 -4.48 117.00 118.86 2uxz n LEU 89 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2uxz n LEU 89 Cb 0.09 0.29 0.32 0.00 -2.33 0.00 0.00 43.42 41.79 2uxz n LEU 89 CO 0.26 0.29 1.17 -0.07 -1.33 0.00 0.00 177.39 177.72 2uxz h LEU 90 N 0.00 0.68 -0.79 2.23 3.38 -1.01 -2.26 115.31 117.53 2uxz h LEU 90 Ca -0.32 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2uxz h LEU 90 Cb 1.71 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 2uxz h LEU 90 CO 0.02 0.52 0.40 0.71 0.09 0.00 0.00 178.44 180.18 2uxz h THR 91 N 0.79 1.24 0.00 0.22 1.35 -1.61 -1.65 112.91 113.25 2uxz h THR 91 Ca 0.21 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 2uxz h THR 91 Cb -0.04 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 66.60 2uxz h THR 91 CO -0.04 0.28 -0.16 1.56 -0.25 0.00 0.00 175.52 176.92 2uxz h GLN 92 N 1.11 0.00 -0.39 4.72 1.08 -1.63 -1.60 115.11 118.39 2uxz h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2uxz h GLN 92 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2uxz h GLN 92 CO -0.04 0.16 0.00 0.44 -0.95 0.00 0.00 178.83 178.44 2uxz n ILE 93 N -4.05 0.51 -2.28 2.54 -5.35 -1.08 -4.94 119.36 104.72 2uxz n ILE 93 Ca -0.02 -0.66 -0.08 0.00 -0.27 0.00 0.00 62.75 61.72 2uxz n ILE 93 Cb 0.24 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 2uxz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uxz n GLY 94 N 1.40 0.09 3.73 3.28 0.00 -0.60 -5.01 105.19 108.07 2uxz n GLY 94 Ca 0.19 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2uxz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxz s THR 96 N 0.29 0.65 -0.12 0.00 -4.23 -1.26 -4.69 115.64 106.28 2uxz s THR 96 Ca 0.46 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2uxz s THR 96 Cb -0.22 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 2uxz s THR 96 CO 0.28 -0.80 0.26 -0.76 -0.54 0.00 0.00 174.62 173.05 2uxz s LEU 97 N -3.06 4.32 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.80 2uxz s LEU 97 Ca 0.14 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2uxz s LEU 97 Cb 0.06 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2uxz s LEU 97 CO -0.03 0.23 -0.02 0.20 0.23 0.00 0.00 176.35 176.95 2uxz s ASN 98 N -0.23 0.42 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.99 2uxz s ASN 98 Ca 0.17 -0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.40 2uxz s ASN 98 Cb -0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 2uxz s ASN 98 CO 0.05 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.80