#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cyx s GLN 2 N 0.00 3.09 -0.28 0.54 0.74 -1.26 -5.10 119.66 117.39 3cyx s GLN 2 Ca 0.00 -0.81 -0.08 0.00 0.05 0.00 0.00 55.36 54.52 3cyx s GLN 2 Cb 0.00 -3.02 -0.01 0.00 1.10 0.00 0.00 33.01 31.08 3cyx s GLN 2 CO 0.00 -0.32 0.09 0.42 -0.55 0.00 0.00 175.29 174.94 3cyx s ILE 3 N 1.41 4.21 0.77 -2.34 1.01 -1.26 -5.10 121.20 119.90 3cyx s ILE 3 Ca 0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 3cyx s ILE 3 Cb -0.16 -3.10 0.09 0.00 0.01 0.00 0.00 42.46 39.31 3cyx s ILE 3 CO -0.04 0.16 1.10 0.42 0.00 0.00 0.00 174.94 176.58 3cyx s THR 4 N 1.56 2.15 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.62 3cyx s THR 4 Ca 0.04 -0.18 0.15 0.00 -1.18 0.00 0.00 61.69 60.52 3cyx s THR 4 Cb -0.16 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 70.97 3cyx s THR 4 CO 0.04 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.45 3cyx n LEU 5 N -3.14 2.46 0.22 4.79 4.77 -1.26 -4.62 117.00 120.22 3cyx n LEU 5 Ca 0.10 -2.86 0.06 0.00 -0.03 0.00 0.00 56.01 53.27 3cyx n LEU 5 Cb 0.60 -0.36 0.50 0.00 -2.33 0.00 0.00 43.42 41.83 3cyx n LEU 5 CO 0.52 0.67 0.86 -0.50 -1.33 0.00 0.00 177.39 177.60 3cyx h TRP 6 N 0.23 0.00 -1.92 -1.77 4.06 -2.06 -3.43 115.95 111.06 3cyx h TRP 6 Ca 0.00 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.33 3cyx h TRP 6 Cb 0.95 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.98 3cyx h TRP 6 CO 0.06 0.23 -0.68 0.15 -3.56 0.00 0.00 178.44 174.64 3cyx s LYS 7 N -4.39 1.83 0.31 0.49 1.02 -1.26 -5.11 119.74 112.62 3cyx s LYS 7 Ca -0.03 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 53.72 3cyx s LYS 7 Cb 0.15 -1.71 -0.12 0.00 -0.52 0.00 0.00 37.83 35.63 3cyx s LYS 7 CO 0.68 0.13 1.55 0.54 -0.92 0.00 0.00 175.35 177.34 3cyx n ARG 8 N -0.81 2.64 -1.66 1.68 1.74 -1.26 -4.86 116.66 114.13 3cyx n ARG 8 Ca -0.05 0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 3cyx n ARG 8 Cb 0.64 -2.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.38 3cyx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cyx n PRO 9 N 1.69 2.78 -3.10 5.56 -0.04 -1.26 -4.92 135.00 135.70 3cyx n PRO 9 Ca 0.07 -2.52 -0.39 0.00 -0.04 0.00 0.00 63.50 60.62 3cyx n PRO 9 Cb 0.37 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.54 3cyx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cyx s LEU 10 N 2.01 4.34 0.22 1.53 1.43 -1.26 -1.17 118.68 125.79 3cyx s LEU 10 Ca 0.49 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 3cyx s LEU 10 Cb 0.14 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3cyx s LEU 10 CO -0.07 -0.05 0.01 0.68 0.23 0.00 0.00 176.35 177.15 3cyx s VAL 11 N 0.52 0.86 0.01 -1.59 -7.23 0.26 -4.95 120.40 108.28 3cyx s VAL 11 Ca 0.35 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 3cyx s VAL 11 Cb -0.18 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3cyx s VAL 11 CO 0.17 -0.31 0.65 -0.89 -0.31 0.00 0.00 175.10 174.42 3cyx s THR 12 N -3.54 4.84 0.30 5.32 2.01 -1.26 -0.80 115.64 122.52 3cyx s THR 12 Ca 0.29 1.38 0.11 0.00 0.31 0.00 0.00 61.69 63.77 3cyx s THR 12 Cb 0.06 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 3cyx s THR 12 CO 0.08 0.40 -0.13 0.27 -0.69 0.00 0.00 174.62 174.55 3cyx s ILE 13 N -0.15 2.53 -0.09 1.82 -4.36 0.58 -0.99 121.20 120.53 3cyx s ILE 13 Ca 0.34 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 3cyx s ILE 13 Cb -0.19 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.03 3cyx s ILE 13 CO 0.19 -0.32 -0.09 -0.75 0.24 0.00 0.00 174.94 174.21 3cyx s LYS 14 N -3.58 1.58 -0.07 0.37 2.20 -0.12 -1.22 119.74 118.90 3cyx s LYS 14 Ca 0.31 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.56 3cyx s LYS 14 Cb -0.03 -1.50 0.03 0.00 -1.51 0.00 0.00 37.83 34.82 3cyx s LYS 14 CO 0.16 -0.15 0.19 -1.50 -0.36 0.00 0.00 175.35 173.69 3cyx s ILE 15 N 1.29 -0.02 -1.33 5.43 2.07 -0.44 -1.13 121.20 127.08 3cyx s ILE 15 Ca -0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 3cyx s ILE 15 Cb -0.14 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3cyx s ILE 15 CO -0.04 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 3cyx n GLY 16 N 3.40 -0.31 2.33 1.50 0.00 -1.26 -1.31 105.19 109.53 3cyx n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3cyx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cyx n GLY 17 N -0.82 0.76 3.49 -0.02 0.00 -1.26 -5.01 105.19 102.33 3cyx n GLY 17 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3cyx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cyx s GLN 18 N -0.08 2.50 0.05 1.61 -0.21 -0.43 -5.11 119.66 117.99 3cyx s GLN 18 Ca 0.00 -0.70 -0.22 0.00 0.02 0.00 0.00 55.36 54.46 3cyx s GLN 18 Cb 0.00 -2.39 -0.06 0.00 1.00 0.00 0.00 33.01 31.56 3cyx s GLN 18 CO 0.00 0.62 0.65 -0.51 -2.12 0.00 0.00 175.29 173.93 3cyx s LEU 19 N -0.80 4.48 0.05 2.90 1.43 -1.26 -1.32 118.68 124.16 3cyx s LEU 19 Ca 0.12 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3cyx s LEU 19 Cb -0.11 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 3cyx s LEU 19 CO 0.01 0.14 -0.03 -0.54 0.23 0.00 0.00 176.35 176.16 3cyx s LYS 20 N -0.51 0.60 -0.08 1.70 1.02 -0.36 -4.98 119.74 117.13 3cyx s LYS 20 Ca 0.33 -1.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 3cyx s LYS 20 Cb -0.20 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3cyx s LYS 20 CO 0.20 -0.11 0.29 -2.00 -0.92 0.00 0.00 175.35 172.81 3cyx s GLU 21 N -3.84 3.85 0.07 1.68 2.12 -1.26 -0.31 118.70 121.01 3cyx s GLU 21 Ca 0.06 0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 3cyx s GLU 21 Cb 0.07 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 3cyx s GLU 21 CO -0.10 0.60 0.17 0.00 -0.54 0.00 0.00 175.26 175.39 3cyx s ALA 22 N -0.64 -0.21 -0.20 6.30 0.00 0.02 -4.45 121.76 122.57 3cyx s ALA 22 Ca 0.19 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 3cyx s ALA 22 Cb -0.14 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3cyx s ALA 22 CO 0.08 -0.44 0.37 -1.17 0.00 0.00 0.00 175.76 174.59 3cyx s LEU 23 N -2.57 4.17 -0.43 0.00 2.96 -0.08 -0.58 118.68 122.15 3cyx s LEU 23 Ca 0.01 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 3cyx s LEU 23 Cb 0.03 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.27 3cyx s LEU 23 CO -0.08 -0.04 1.12 -0.76 -1.32 0.00 0.00 176.35 175.26 3cyx s LEU 24 N 1.16 3.73 -0.33 -0.68 1.43 -0.32 -0.61 118.68 123.07 3cyx s LEU 24 Ca 0.18 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 3cyx s LEU 24 Cb -0.14 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 3cyx s LEU 24 CO 0.07 -1.14 0.07 -0.62 0.23 0.00 0.00 176.35 174.96 3cyx s ASP 25 N 2.21 4.46 0.57 2.29 -1.08 -0.04 -4.80 116.67 120.28 3cyx s ASP 25 Ca 0.47 -1.93 0.37 0.00 -0.52 0.00 0.00 52.55 50.94 3cyx s ASP 25 Cb -0.09 -1.32 1.78 0.00 -1.46 0.00 0.00 42.92 41.84 3cyx s ASP 25 CO 0.27 -0.39 2.12 0.71 0.52 0.00 0.00 175.17 178.39 3cyx h THR 26 N 6.57 0.00 -0.00 1.71 1.35 -1.94 -2.48 112.91 118.12 3cyx h THR 26 Ca -0.08 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3cyx h THR 26 Cb 1.02 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3cyx h THR 26 CO 0.50 0.00 -0.14 0.61 -0.25 0.00 0.00 175.52 176.24 3cyx n GLY 27 N -0.50 -1.42 3.69 5.82 0.00 -1.26 -4.83 105.19 106.69 3cyx n GLY 27 Ca -0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3cyx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cyx s ALA 28 N -2.98 3.61 0.23 4.61 0.00 -0.93 -4.97 121.76 121.32 3cyx s ALA 28 Ca 0.14 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3cyx s ALA 28 Cb 0.19 -2.36 0.23 0.00 0.00 0.00 0.00 23.12 21.17 3cyx s ALA 28 CO 0.57 -0.07 1.57 -0.44 0.00 0.00 0.00 175.76 177.39 3cyx h ASP 29 N 7.11 0.45 -2.84 0.00 3.32 -1.88 0.57 116.42 123.15 3cyx h ASP 29 Ca -0.39 -0.23 -0.51 0.00 0.02 0.00 0.00 57.03 55.92 3cyx h ASP 29 Cb 1.16 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 3cyx h ASP 29 CO 0.71 0.89 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.58 3cyx s ASP 30 N -6.89 2.93 -0.24 6.45 1.01 -1.26 -2.78 116.67 115.89 3cyx s ASP 30 Ca -0.06 -1.05 -0.13 0.00 0.71 0.00 0.00 52.55 52.02 3cyx s ASP 30 Cb 0.12 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 3cyx s ASP 30 CO 0.81 -0.13 0.28 -0.89 0.21 0.00 0.00 175.17 175.46 3cyx s THR 31 N -2.83 5.27 -0.05 -1.27 2.01 -1.26 -3.30 115.64 114.21 3cyx s THR 31 Ca 0.26 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.69 3cyx s THR 31 Cb -0.01 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.90 3cyx s THR 31 CO 0.10 0.27 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.53 3cyx s VAL 32 N 1.42 0.79 0.14 3.82 1.01 -0.46 -1.12 120.40 125.99 3cyx s VAL 32 Ca 0.12 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.92 3cyx s VAL 32 Cb -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3cyx s VAL 32 CO 0.07 0.28 -0.24 -0.63 0.00 0.00 0.00 175.10 174.58 3cyx s ILE 33 N 0.74 2.10 0.85 2.22 -1.09 0.60 -0.54 121.20 126.08 3cyx s ILE 33 Ca -0.12 -1.77 -0.11 0.00 -2.23 0.00 0.00 60.65 56.42 3cyx s ILE 33 Cb -0.14 -1.90 0.10 0.00 -1.58 0.00 0.00 42.46 38.94 3cyx s ILE 33 CO 0.02 -0.02 1.15 -1.61 -1.23 0.00 0.00 174.94 173.25 3cyx s GLU 34 N -2.19 1.50 0.08 2.79 2.02 -1.26 -1.47 118.70 120.17 3cyx s GLU 34 Ca 0.13 1.54 -0.37 0.00 0.02 0.00 0.00 54.97 56.29 3cyx s GLU 34 Cb -0.09 -1.78 -0.17 0.00 0.10 0.00 0.00 34.13 32.19 3cyx s GLU 34 CO 0.06 -2.27 1.30 -1.91 0.02 0.00 0.00 175.26 172.46 3cyx n GLU 35 N -3.75 1.03 -3.79 1.61 4.07 -1.25 -4.65 120.64 113.92 3cyx n GLU 35 Ca 0.12 0.37 -0.07 0.00 -0.06 0.00 0.00 57.16 57.52 3cyx n GLU 35 Cb 0.52 -1.99 -0.02 0.00 -0.06 0.00 0.00 31.44 29.88 3cyx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3cyx s MET 36 N 0.40 1.66 -0.08 5.31 0.23 -1.26 -5.06 119.30 120.50 3cyx s MET 36 Ca 0.85 -0.89 -0.16 0.00 -1.03 0.00 0.00 55.69 54.46 3cyx s MET 36 Cb -0.98 0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 32.86 3cyx s MET 36 CO 0.48 -0.76 0.43 -1.12 -2.03 0.00 0.00 175.02 172.02 3cyx s SER 37 N -2.89 6.71 0.09 -1.18 0.01 -1.26 -5.06 113.70 110.11 3cyx s SER 37 Ca 0.10 0.84 0.05 0.00 1.31 0.00 0.00 55.95 58.25 3cyx s SER 37 Cb -0.05 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 3cyx s SER 37 CO 0.04 0.14 -0.14 -0.76 0.41 0.00 0.00 173.24 172.93 3cyx s LEU 38 N -0.07 2.33 0.54 2.44 1.43 -1.26 -4.96 118.68 119.13 3cyx s LEU 38 Ca 0.24 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 3cyx s LEU 38 Cb -0.15 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.48 3cyx s LEU 38 CO 0.11 -0.11 1.01 -2.16 0.23 0.00 0.00 176.35 175.43 3cyx s PRO 39 N -2.14 3.71 0.39 1.29 0.04 -1.26 -4.96 135.00 132.07 3cyx s PRO 39 Ca 0.03 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3cyx s PRO 39 Cb -0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3cyx s PRO 39 CO 0.02 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3cyx n GLY 40 N -1.28 -2.24 3.87 0.56 0.00 -1.26 -4.94 105.19 99.90 3cyx n GLY 40 Ca 0.08 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 3cyx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cyx s ARG 41 N -0.24 3.80 0.25 1.61 0.52 -1.26 -5.09 118.95 118.54 3cyx s ARG 41 Ca 0.00 0.62 0.08 0.00 -0.52 0.00 0.00 55.73 55.91 3cyx s ARG 41 Cb 0.00 -2.29 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3cyx s ARG 41 CO 0.00 -0.16 -0.11 1.67 0.02 0.00 0.00 175.30 176.71 3cyx s TRP 42 N -2.54 1.90 0.17 -0.53 1.48 -1.26 -4.67 118.94 113.48 3cyx s TRP 42 Ca 0.54 -0.60 0.09 0.00 -1.06 0.00 0.00 56.10 55.06 3cyx s TRP 42 Cb -0.10 -0.97 -0.04 0.00 -1.16 0.00 0.00 33.47 31.20 3cyx s TRP 42 CO 0.34 0.37 -0.19 0.15 -4.06 0.00 0.00 176.95 173.56 3cyx s LYS 43 N -3.67 1.30 0.35 3.25 1.02 -0.55 -4.91 119.74 116.54 3cyx s LYS 43 Ca 0.27 -1.42 -0.19 0.00 0.02 0.00 0.00 55.97 54.65 3cyx s LYS 43 Cb 0.01 -1.37 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 3cyx s LYS 43 CO 0.10 0.28 0.84 -1.25 -0.92 0.00 0.00 175.35 174.40 3cyx s PRO 44 N -2.80 4.18 -0.10 -1.68 0.04 -1.26 -0.57 135.00 132.81 3cyx s PRO 44 Ca 0.16 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 3cyx s PRO 44 Cb -0.06 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.10 3cyx s PRO 44 CO 0.07 0.12 0.39 0.21 0.04 0.00 0.00 177.00 177.83 3cyx s LYS 45 N -2.85 0.56 -0.13 4.56 2.20 -1.06 -4.85 119.74 118.17 3cyx s LYS 45 Ca 0.56 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.46 3cyx s LYS 45 Cb -0.11 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 3cyx s LYS 45 CO 0.17 -0.11 -0.08 1.41 -0.36 0.00 0.00 175.35 176.38 3cyx s MET 46 N -0.34 3.38 0.03 4.03 -2.45 -1.26 -1.03 119.30 121.66 3cyx s MET 46 Ca -0.05 -0.59 0.06 0.00 -1.25 0.00 0.00 55.69 53.87 3cyx s MET 46 Cb -0.03 -2.74 -0.02 0.00 1.25 0.00 0.00 34.83 33.28 3cyx s MET 46 CO 0.02 0.32 -0.18 0.96 1.05 0.00 0.00 175.02 177.19 3cyx s ILE 47 N 0.11 1.45 -0.14 10.11 -4.36 -0.50 -4.97 121.20 122.90 3cyx s ILE 47 Ca -0.03 -1.04 -0.04 0.00 -0.26 0.00 0.00 60.65 59.29 3cyx s ILE 47 Cb -0.14 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 3cyx s ILE 47 CO 0.04 0.20 -0.02 -0.83 0.24 0.00 0.00 174.94 174.56 3cyx s GLY 48 N -0.98 1.77 0.29 6.27 0.00 -1.26 -0.80 107.32 112.61 3cyx s GLY 48 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3cyx s GLY 48 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.56 3cyx n GLY 49 N 3.23 3.84 3.78 0.20 0.00 0.15 -4.98 105.19 111.41 3cyx n GLY 49 Ca -0.17 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.14 3cyx n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cyx s VAL 50 N -2.03 2.20 0.00 1.61 0.11 -1.26 -2.68 120.40 118.35 3cyx s VAL 50 Ca 0.00 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 3cyx s VAL 50 Cb 0.00 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 3cyx s VAL 50 CO 0.00 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 3cyx n GLY 51 N 0.54 2.73 0.00 6.54 0.00 -1.26 -4.94 105.19 108.80 3cyx n GLY 51 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3cyx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cyx n GLY 52 N 0.00 0.35 3.83 -0.02 0.00 -1.09 -5.12 105.19 103.14 3cyx n GLY 52 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 3cyx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cyx s PHE 53 N -2.75 3.38 0.09 1.61 0.40 -1.26 -0.67 117.98 118.77 3cyx s PHE 53 Ca 0.00 0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 3cyx s PHE 53 Cb 0.00 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 3cyx s PHE 53 CO 0.00 0.59 -0.17 0.96 0.70 0.00 0.00 175.22 177.29 3cyx s ILE 54 N -1.26 1.42 -0.02 0.64 -4.36 0.02 -4.97 121.20 112.68 3cyx s ILE 54 Ca 0.25 -1.47 -0.20 0.00 -0.26 0.00 0.00 60.65 58.98 3cyx s ILE 54 Cb -0.12 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 3cyx s ILE 54 CO 0.16 -0.17 0.56 -0.54 0.24 0.00 0.00 174.94 175.19 3cyx s LYS 55 N -1.92 4.28 0.20 0.37 1.02 -1.26 -1.41 119.74 121.02 3cyx s LYS 55 Ca 0.03 0.66 0.02 0.00 0.02 0.00 0.00 55.97 56.70 3cyx s LYS 55 Cb -0.09 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3cyx s LYS 55 CO 0.03 0.37 0.03 0.14 -0.92 0.00 0.00 175.35 175.00 3cyx s VAL 56 N -0.16 0.65 -0.23 3.17 -7.23 -0.20 -4.49 120.40 111.91 3cyx s VAL 56 Ca 0.30 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 3cyx s VAL 56 Cb -0.18 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3cyx s VAL 56 CO 0.16 -0.33 0.12 -0.13 -0.31 0.00 0.00 175.10 174.60 3cyx s ARG 57 N -3.95 3.94 -0.26 4.82 0.52 0.01 -2.57 118.95 121.46 3cyx s ARG 57 Ca 0.28 -0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.03 3cyx s ARG 57 Cb 0.07 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 3cyx s ARG 57 CO 0.07 0.05 0.26 -1.14 0.02 0.00 0.00 175.30 174.55 3cyx s GLN 58 N 1.05 4.02 -0.14 3.54 0.74 0.27 -0.88 119.66 128.25 3cyx s GLN 58 Ca 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.31 3cyx s GLN 58 Cb -0.14 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 3cyx s GLN 58 CO 0.04 -0.15 -0.11 0.71 -0.55 0.00 0.00 175.29 175.23 3cyx s TYR 59 N 1.67 2.86 0.20 1.67 1.51 -0.40 -1.48 117.35 123.37 3cyx s TYR 59 Ca 0.11 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3cyx s TYR 59 Cb -0.15 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 3cyx s TYR 59 CO 0.09 -0.22 0.34 -0.51 -1.11 0.00 0.00 175.55 174.15 3cyx s ASP 60 N 0.45 6.34 -1.35 2.29 1.01 -1.26 -1.02 116.67 123.13 3cyx s ASP 60 Ca -0.08 0.21 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 3cyx s ASP 60 Cb -0.15 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.87 3cyx s ASP 60 CO 0.04 -0.02 1.06 1.67 0.21 0.00 0.00 175.17 178.13 3cyx n GLN 61 N -0.90 -6.91 -3.36 8.23 7.27 -1.12 -4.91 117.38 115.69 3cyx n GLN 61 Ca -0.07 0.77 -0.38 0.00 0.07 0.00 0.00 57.00 57.39 3cyx n GLN 61 Cb 0.55 -5.74 -0.06 0.00 2.41 0.00 0.00 30.24 27.40 3cyx n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3cyx s ILE 62 N -3.36 5.11 -0.10 1.69 -1.09 0.22 -4.69 121.20 118.98 3cyx s ILE 62 Ca 0.41 0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 59.48 3cyx s ILE 62 Cb -0.19 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 3cyx s ILE 62 CO 0.76 0.41 1.06 -0.63 -1.23 0.00 0.00 174.94 175.31 3cyx s ILE 63 N 0.05 4.63 -0.08 2.92 1.01 -1.26 -1.32 121.20 127.15 3cyx s ILE 63 Ca 0.26 1.92 -0.07 0.00 0.00 0.00 0.00 60.65 62.76 3cyx s ILE 63 Cb -0.16 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.10 3cyx s ILE 63 CO 0.12 -0.00 0.20 -0.51 0.00 0.00 0.00 174.94 174.75 3cyx s ILE 64 N 2.12 -0.01 -0.12 2.92 2.07 -0.61 -4.49 121.20 123.08 3cyx s ILE 64 Ca 0.50 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.75 3cyx s ILE 64 Cb -0.20 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 3cyx s ILE 64 CO 0.19 0.01 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.49 3cyx s GLU 65 N 0.34 3.32 -0.28 3.50 2.12 -0.28 -0.84 118.70 126.58 3cyx s GLU 65 Ca -0.02 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.82 3cyx s GLU 65 Cb -0.03 -2.80 0.07 0.00 0.26 0.00 0.00 34.13 31.63 3cyx s GLU 65 CO -0.01 0.42 -0.03 0.42 -0.54 0.00 0.00 175.26 175.52 3cyx s ILE 66 N -0.14 1.85 -1.54 -3.70 1.01 0.30 -0.94 121.20 118.04 3cyx s ILE 66 Ca 0.03 -1.65 -0.14 0.00 0.00 0.00 0.00 60.65 58.89 3cyx s ILE 66 Cb -0.13 -2.16 0.09 0.00 0.01 0.00 0.00 42.46 40.27 3cyx s ILE 66 CO 0.03 -0.26 0.94 0.00 0.00 0.00 0.00 174.94 175.65 3cyx n ALA 67 N 4.51 -1.26 -0.14 9.38 0.00 -0.16 -0.99 120.51 131.85 3cyx n ALA 67 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3cyx n ALA 67 Cb 0.43 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 15.54 3cyx n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cyx n GLY 68 N -1.64 1.75 3.69 0.00 0.00 -1.26 -5.03 105.19 102.71 3cyx n GLY 68 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3cyx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cyx s HIS 69 N -2.81 3.38 0.18 1.61 4.02 -0.16 -5.06 115.29 116.45 3cyx s HIS 69 Ca 0.00 0.42 -0.28 0.00 1.02 0.00 0.00 55.06 56.22 3cyx s HIS 69 Cb 0.00 -2.31 -0.08 0.00 -1.02 0.00 0.00 32.58 29.17 3cyx s HIS 69 CO 0.00 0.14 0.88 0.21 1.02 0.00 0.00 174.74 176.99 3cyx s LYS 70 N 0.81 4.71 0.07 1.40 2.36 -1.26 -0.54 119.74 127.28 3cyx s LYS 70 Ca 0.12 1.34 0.00 0.00 -2.55 0.00 0.00 55.97 54.88 3cyx s LYS 70 Cb -0.13 -3.30 -0.04 0.00 -1.05 0.00 0.00 37.83 33.31 3cyx s LYS 70 CO 0.04 0.46 -0.05 0.00 1.55 0.00 0.00 175.35 177.35 3cyx s ALA 71 N -0.86 0.68 -0.15 3.13 0.00 -0.02 -4.83 121.76 119.71 3cyx s ALA 71 Ca 0.40 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 3cyx s ALA 71 Cb -0.24 0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3cyx s ALA 71 CO 0.29 -0.28 0.10 0.42 0.00 0.00 0.00 175.76 176.29 3cyx s ILE 72 N -3.49 -0.12 0.00 0.00 1.01 -1.26 -1.57 121.20 115.77 3cyx s ILE 72 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3cyx s ILE 72 Cb 0.05 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 42.02 3cyx s ILE 72 CO -0.07 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.30 3cyx n GLY 73 N 5.29 1.68 3.71 6.18 0.00 -0.43 -4.78 105.19 116.83 3cyx n GLY 73 Ca -0.06 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 3cyx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cyx s THR 74 N -2.45 5.00 -0.10 2.61 2.01 -1.26 -0.61 115.64 120.83 3cyx s THR 74 Ca 0.00 1.60 0.02 0.00 0.31 0.00 0.00 61.69 63.62 3cyx s THR 74 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3cyx s THR 74 CO 0.00 0.22 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.29 3cyx s VAL 75 N 0.91 1.56 -0.00 3.82 1.01 -0.19 -4.54 120.40 122.97 3cyx s VAL 75 Ca 0.41 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3cyx s VAL 75 Cb -0.18 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3cyx s VAL 75 CO 0.20 0.45 0.30 -0.76 0.00 0.00 0.00 175.10 175.30 3cyx s LEU 76 N 0.79 4.39 -0.10 3.92 1.43 -0.28 -1.28 118.68 127.56 3cyx s LEU 76 Ca -0.11 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3cyx s LEU 76 Cb -0.16 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.48 3cyx s LEU 76 CO 0.01 0.28 -0.17 -0.69 0.23 0.00 0.00 176.35 176.02 3cyx s VAL 77 N -1.22 1.56 -1.09 -1.59 1.01 -0.06 -0.29 120.40 118.73 3cyx s VAL 77 Ca 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3cyx s VAL 77 Cb -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.83 3cyx s VAL 77 CO 0.14 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3cyx n GLY 78 N 3.98 -1.09 2.27 4.51 0.00 -0.54 -0.81 105.19 113.50 3cyx n GLY 78 Ca -0.20 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 3cyx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cyx n PRO 79 N 0.00 3.46 -2.81 1.61 -0.04 -1.26 -3.90 135.00 132.06 3cyx n PRO 79 Ca 0.00 -2.02 -0.39 0.00 -0.04 0.00 0.00 63.50 61.04 3cyx n PRO 79 Cb 0.00 -2.68 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 3cyx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3cyx s THR 80 N 2.00 4.16 0.15 0.52 -1.32 -1.26 -4.97 115.64 114.92 3cyx s THR 80 Ca 0.69 1.96 0.27 0.00 -1.21 0.00 0.00 61.69 63.40 3cyx s THR 80 Cb 0.20 -4.23 0.28 0.00 -1.51 0.00 0.00 72.50 67.24 3cyx s THR 80 CO -0.05 0.44 1.89 -0.65 -2.21 0.00 0.00 174.62 174.04 3cyx h PRO 81 N 4.00 0.00 -3.86 7.08 0.11 -1.98 -3.43 132.00 133.92 3cyx h PRO 81 Ca -0.46 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 3cyx h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 3cyx h PRO 81 CO 0.67 0.15 -0.71 0.08 -0.21 0.00 0.00 178.00 177.98 3cyx s VAL 82 N -3.70 0.07 0.02 3.15 1.01 -1.26 -5.08 120.40 114.60 3cyx s VAL 82 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3cyx s VAL 82 Cb 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.30 3cyx s VAL 82 CO 0.61 -0.18 1.31 0.20 0.00 0.00 0.00 175.10 177.04 3cyx s ASN 83 N -0.55 6.94 -0.11 3.32 0.01 -1.26 -4.77 114.94 118.52 3cyx s ASN 83 Ca -0.06 2.06 0.03 0.00 -0.71 0.00 0.00 52.86 54.19 3cyx s ASN 83 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3cyx s ASN 83 CO -0.00 -0.62 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.11 3cyx s ILE 84 N 1.86 1.95 -0.41 0.60 -1.09 0.30 -0.90 121.20 123.50 3cyx s ILE 84 Ca 0.61 -0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 3cyx s ILE 84 Cb -0.30 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 3cyx s ILE 84 CO 0.27 0.53 0.35 -0.63 -1.23 0.00 0.00 174.94 174.23 3cyx s ILE 85 N 0.55 5.19 0.29 2.92 -1.09 0.22 -1.36 121.20 127.93 3cyx s ILE 85 Ca -0.14 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 3cyx s ILE 85 Cb -0.17 -3.95 0.05 0.00 -1.58 0.00 0.00 42.46 36.81 3cyx s ILE 85 CO 0.05 -0.33 0.40 0.61 -1.23 0.00 0.00 174.94 174.44 3cyx n GLY 86 N 5.13 1.57 0.24 6.18 0.00 -1.21 -0.86 105.19 116.24 3cyx n GLY 86 Ca -0.10 -2.12 0.09 0.00 0.00 0.00 0.00 46.02 43.89 3cyx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cyx h ARG 87 N 0.00 0.00 -0.44 1.61 3.08 -0.88 -0.95 114.38 116.80 3cyx h ARG 87 Ca -0.13 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.95 3cyx h ARG 87 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3cyx h ARG 87 CO 0.17 0.16 0.29 -2.95 -1.07 0.00 0.00 179.97 176.57 3cyx h ASN 88 N 0.00 0.41 0.00 7.04 -1.07 -1.78 -1.64 115.58 118.53 3cyx h ASN 88 Ca -0.00 -0.01 -0.26 0.00 0.07 0.00 0.00 56.30 56.10 3cyx h ASN 88 Cb 0.33 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 36.44 3cyx h ASN 88 CO 0.02 0.28 -2.28 0.18 0.07 0.00 0.00 177.43 175.70 3cyx n LEU 89 N -4.48 0.00 -0.27 6.14 4.77 -0.77 -4.08 117.00 118.32 3cyx n LEU 89 Ca 0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3cyx n LEU 89 Cb 0.15 0.36 0.20 0.00 -2.33 0.00 0.00 43.42 41.80 3cyx n LEU 89 CO 0.35 0.36 1.26 -0.07 -1.33 0.00 0.00 177.39 177.95 3cyx h LEU 90 N 0.00 0.96 -1.18 2.23 3.38 -0.99 -1.44 115.31 118.27 3cyx h LEU 90 Ca -0.39 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 3cyx h LEU 90 Cb 1.89 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3cyx h LEU 90 CO 0.02 0.69 -0.24 0.71 0.09 0.00 0.00 178.44 179.72 3cyx h THR 91 N 1.13 1.24 0.00 0.22 1.35 -1.49 -1.55 112.91 113.81 3cyx h THR 91 Ca 0.31 -1.10 -0.06 0.00 -0.55 0.00 0.00 66.41 65.01 3cyx h THR 91 Cb -0.13 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 3cyx h THR 91 CO -0.07 0.34 -0.30 1.56 -0.25 0.00 0.00 175.52 176.80 3cyx h GLN 92 N 0.25 0.00 -0.39 4.72 4.20 -1.42 -2.83 115.11 119.64 3cyx h GLN 92 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3cyx h GLN 92 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3cyx h GLN 92 CO 0.04 0.30 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 3cyx n ILE 93 N -3.72 0.50 -1.76 2.54 -5.35 -0.99 -4.95 119.36 105.64 3cyx n ILE 93 Ca -0.01 -0.70 -0.01 0.00 -0.27 0.00 0.00 62.75 61.76 3cyx n ILE 93 Cb 0.40 0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 39.13 3cyx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cyx n GLY 94 N 1.45 0.36 3.76 3.28 0.00 -0.97 -5.02 105.19 108.05 3cyx n GLY 94 Ca 0.19 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 3cyx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cyx s ALA 95 N -2.06 3.31 0.10 4.61 0.00 -0.62 -5.03 121.76 122.07 3cyx s ALA 95 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.72 3cyx s ALA 95 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3cyx s ALA 95 CO 0.00 -0.01 -0.09 0.95 0.00 0.00 0.00 175.76 176.62 3cyx s THR 96 N -1.30 0.85 0.01 0.00 -4.23 -1.26 -4.72 115.64 104.98 3cyx s THR 96 Ca 0.46 -1.74 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 3cyx s THR 96 Cb -0.27 -1.46 -0.06 0.00 1.34 0.00 0.00 72.50 72.06 3cyx s THR 96 CO 0.34 -0.67 0.42 -0.76 -0.54 0.00 0.00 174.62 173.41 3cyx s LEU 97 N -2.65 4.48 -0.03 4.79 1.43 -1.26 -5.10 118.68 120.35 3cyx s LEU 97 Ca 0.07 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3cyx s LEU 97 Cb -0.00 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.62 3cyx s LEU 97 CO -0.01 0.32 0.06 0.20 0.23 0.00 0.00 176.35 177.14 3cyx s ASN 98 N -1.08 -0.02 0.00 2.29 0.01 -1.26 -5.29 114.94 109.59 3cyx s ASN 98 Ca 0.24 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 3cyx s ASN 98 Cb -0.17 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.54 3cyx s ASN 98 CO 0.14 -0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.87