#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdu s GLN 2 N 0.00 2.60 -0.17 -0.52 0.74 -1.26 -5.11 119.66 115.94 1sdu s GLN 2 Ca 0.00 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.57 1sdu s GLN 2 Cb 0.00 -2.11 0.02 0.00 1.10 0.00 0.00 33.01 32.02 1sdu s GLN 2 CO 0.00 0.29 -0.16 0.42 -0.55 0.00 0.00 175.29 175.29 1sdu s ILE 3 N 0.05 1.74 0.83 -2.34 1.01 -1.26 -5.13 121.20 116.10 1sdu s ILE 3 Ca -0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 1sdu s ILE 3 Cb -0.15 -1.63 0.09 0.00 0.01 0.00 0.00 42.46 40.78 1sdu s ILE 3 CO 0.05 0.45 1.19 0.42 0.00 0.00 0.00 174.94 177.04 1sdu s THR 4 N 1.41 2.00 -0.23 2.92 -4.23 -1.26 -5.02 115.64 111.23 1sdu s THR 4 Ca 0.04 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.69 1sdu s THR 4 Cb -0.13 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.06 1sdu s THR 4 CO -0.11 0.00 1.23 0.18 -0.54 0.00 0.00 174.62 175.38 1sdu n LEU 5 N -3.40 2.89 0.08 4.79 4.77 -1.26 -4.61 117.00 120.27 1sdu n LEU 5 Ca 0.08 -2.75 0.06 0.00 -0.03 0.00 0.00 56.01 53.37 1sdu n LEU 5 Cb 0.61 -0.38 0.50 0.00 -2.33 0.00 0.00 43.42 41.82 1sdu n LEU 5 CO 0.56 0.67 1.13 -0.50 -1.33 0.00 0.00 177.39 177.92 1sdu h TRP 6 N 0.88 0.34 -3.09 -1.77 4.06 -2.07 -3.43 115.95 110.87 1sdu h TRP 6 Ca 0.00 0.01 -0.43 0.00 2.06 0.00 0.00 58.89 60.53 1sdu h TRP 6 Cb 1.04 -0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 28.94 1sdu h TRP 6 CO 0.20 0.21 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.06 1sdu s LYS 7 N -5.35 1.48 0.18 0.49 -2.85 -1.26 -5.11 119.74 107.32 1sdu s LYS 7 Ca -0.07 -1.78 -0.33 0.00 -1.00 0.00 0.00 55.97 52.79 1sdu s LYS 7 Cb 0.17 -0.76 -0.14 0.00 -2.06 0.00 0.00 37.83 35.04 1sdu s LYS 7 CO 0.71 -0.12 1.46 0.54 0.10 0.00 0.00 175.35 178.04 1sdu n ARG 8 N -0.54 1.90 -2.68 1.78 1.74 -1.26 -4.84 116.66 112.76 1sdu n ARG 8 Ca -0.04 0.68 -0.43 0.00 -0.77 0.00 0.00 57.85 57.29 1sdu n ARG 8 Cb 0.65 -2.38 -0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1sdu n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sdu s PRO 9 N 0.30 3.98 0.00 5.56 0.04 -1.26 -4.95 135.00 138.67 1sdu s PRO 9 Ca 0.75 -2.09 -0.17 0.00 0.04 0.00 0.00 61.00 59.54 1sdu s PRO 9 Cb -0.72 -5.39 -0.06 0.00 0.04 0.00 0.00 34.50 28.38 1sdu s PRO 9 CO 0.44 -2.11 0.47 -0.51 0.04 0.00 0.00 177.00 175.33 1sdu s LEU 10 N 3.54 4.46 0.18 -3.56 1.43 -1.26 -1.36 118.68 122.12 1sdu s LEU 10 Ca 0.50 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1sdu s LEU 10 Cb 0.02 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 1sdu s LEU 10 CO 0.04 0.26 0.01 0.68 0.23 0.00 0.00 176.35 177.57 1sdu s VAL 11 N -0.80 0.69 0.07 -1.59 -7.23 0.12 -4.93 120.40 106.74 1sdu s VAL 11 Ca 0.26 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 1sdu s VAL 11 Cb -0.17 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1sdu s VAL 11 CO 0.15 -0.43 0.76 -0.89 -0.31 0.00 0.00 175.10 174.38 1sdu s THR 12 N -3.65 4.64 0.23 5.32 2.01 -1.26 -0.71 115.64 122.23 1sdu s THR 12 Ca 0.25 1.64 0.10 0.00 0.31 0.00 0.00 61.69 63.99 1sdu s THR 12 Cb 0.06 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1sdu s THR 12 CO 0.05 0.41 -0.19 0.27 -0.69 0.00 0.00 174.62 174.47 1sdu s ILE 13 N -0.35 2.18 -0.12 1.82 -4.36 0.69 -1.05 121.20 120.01 1sdu s ILE 13 Ca 0.38 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 1sdu s ILE 13 Cb -0.21 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.37 1sdu s ILE 13 CO 0.24 -0.39 -0.18 -0.75 0.24 0.00 0.00 174.94 174.10 1sdu s LYS 14 N -3.30 2.50 -0.14 0.37 2.20 -0.15 -1.07 119.74 120.15 1sdu s LYS 14 Ca 0.25 -0.66 -0.10 0.00 -0.36 0.00 0.00 55.97 55.09 1sdu s LYS 14 Cb -0.05 -2.09 0.05 0.00 -1.51 0.00 0.00 37.83 34.24 1sdu s LYS 14 CO 0.11 -0.05 0.36 -1.50 -0.36 0.00 0.00 175.35 173.91 1sdu s ILE 15 N 0.94 -0.02 -1.96 5.43 2.07 -0.45 -1.17 121.20 126.04 1sdu s ILE 15 Ca -0.06 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1sdu s ILE 15 Cb -0.15 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 41.91 1sdu s ILE 15 CO -0.02 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1sdu n GLY 16 N 3.65 1.24 1.67 1.50 0.00 -1.26 -1.30 105.19 110.69 1sdu n GLY 16 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sdu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdu n GLY 17 N -0.70 0.58 3.23 -0.02 0.00 -1.26 -5.05 105.19 101.97 1sdu n GLY 17 Ca -0.21 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1sdu n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sdu s GLN 18 N -0.25 1.51 -0.05 1.61 -0.21 -0.42 -5.13 119.66 116.71 1sdu s GLN 18 Ca 0.00 -0.83 -0.15 0.00 0.02 0.00 0.00 55.36 54.40 1sdu s GLN 18 Cb 0.00 -1.54 -0.05 0.00 1.00 0.00 0.00 33.01 32.42 1sdu s GLN 18 CO 0.00 0.41 0.40 -0.51 -2.12 0.00 0.00 175.29 173.47 1sdu s LEU 19 N -0.82 4.40 0.09 2.90 1.43 -1.26 -1.34 118.68 124.07 1sdu s LEU 19 Ca 0.08 0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1sdu s LEU 19 Cb -0.08 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1sdu s LEU 19 CO 0.00 0.23 0.08 -0.54 0.23 0.00 0.00 176.35 176.35 1sdu s LYS 20 N -0.48 0.80 -0.09 1.70 1.02 -0.23 -4.99 119.74 117.47 1sdu s LYS 20 Ca 0.23 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 54.92 1sdu s LYS 20 Cb -0.16 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 1sdu s LYS 20 CO 0.11 -0.22 0.29 -1.21 -0.92 0.00 0.00 175.35 173.41 1sdu s GLU 21 N -3.93 3.88 0.04 1.68 0.41 -1.26 -0.22 118.70 119.29 1sdu s GLU 21 Ca 0.11 0.15 -0.06 0.00 -0.41 0.00 0.00 54.97 54.76 1sdu s GLU 21 Cb 0.06 -3.28 -0.01 0.00 -1.78 0.00 0.00 34.13 29.13 1sdu s GLU 21 CO -0.07 0.57 0.12 0.00 -0.49 0.00 0.00 175.26 175.39 1sdu s ALA 22 N -0.58 -0.13 -0.20 5.21 0.00 0.12 -4.39 121.76 121.80 1sdu s ALA 22 Ca 0.19 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 1sdu s ALA 22 Cb -0.14 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1sdu s ALA 22 CO 0.08 -0.33 0.41 -1.17 0.00 0.00 0.00 175.76 174.75 1sdu s LEU 23 N -2.12 4.16 -0.40 0.00 2.96 0.28 -0.70 118.68 122.86 1sdu s LEU 23 Ca -0.05 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 1sdu s LEU 23 Cb -0.01 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1sdu s LEU 23 CO -0.04 -0.08 1.20 -0.76 -1.32 0.00 0.00 176.35 175.35 1sdu s LEU 24 N 1.29 3.73 -0.34 -0.68 1.43 -0.46 -0.77 118.68 122.87 1sdu s LEU 24 Ca 0.20 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1sdu s LEU 24 Cb -0.15 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1sdu s LEU 24 CO 0.08 -1.17 0.09 -0.62 0.23 0.00 0.00 176.35 174.96 1sdu s ASP 25 N 2.60 4.41 0.42 2.29 -1.08 -0.17 -4.77 116.67 120.36 1sdu s ASP 25 Ca 0.51 -2.04 0.29 0.00 -0.52 0.00 0.00 52.55 50.80 1sdu s ASP 25 Cb -0.11 -1.31 1.26 0.00 -1.46 0.00 0.00 42.92 41.30 1sdu s ASP 25 CO 0.27 -0.38 1.87 0.71 0.52 0.00 0.00 175.17 178.16 1sdu h THR 26 N 6.43 0.00 0.00 1.71 1.35 -1.94 -2.10 112.91 118.36 1sdu h THR 26 Ca -0.08 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1sdu h THR 26 Cb 1.01 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1sdu h THR 26 CO 0.51 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 176.22 1sdu n GLY 27 N -0.11 -1.51 3.66 5.82 0.00 -1.26 -4.82 105.19 106.97 1sdu n GLY 27 Ca 0.01 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1sdu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdu s ALA 28 N -3.05 3.56 0.25 4.61 0.00 -0.79 -4.96 121.76 121.39 1sdu s ALA 28 Ca 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1sdu s ALA 28 Cb 0.16 -2.68 0.32 0.00 0.00 0.00 0.00 23.12 20.93 1sdu s ALA 28 CO 0.60 -0.39 1.70 -0.44 0.00 0.00 0.00 175.76 177.23 1sdu h ASP 29 N 7.52 0.64 -2.01 0.00 3.32 -1.87 0.06 116.42 124.08 1sdu h ASP 29 Ca -0.35 -0.21 -0.61 0.00 0.02 0.00 0.00 57.03 55.89 1sdu h ASP 29 Cb 1.16 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 1sdu h ASP 29 CO 0.71 0.83 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.59 1sdu s ASP 30 N -6.76 3.64 -0.22 6.45 1.01 -1.26 -3.03 116.67 116.49 1sdu s ASP 30 Ca -0.08 -1.24 -0.09 0.00 0.71 0.00 0.00 52.55 51.85 1sdu s ASP 30 Cb 0.14 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1sdu s ASP 30 CO 0.81 -0.28 0.11 -0.89 0.21 0.00 0.00 175.17 175.13 1sdu s THR 31 N -2.69 5.02 -0.14 -1.27 2.01 -1.26 -3.29 115.64 114.02 1sdu s THR 31 Ca 0.33 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 1sdu s THR 31 Cb 0.04 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1sdu s THR 31 CO 0.16 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 1sdu s VAL 32 N 0.86 1.27 -0.02 3.82 1.01 -0.35 -0.92 120.40 126.07 1sdu s VAL 32 Ca 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1sdu s VAL 32 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1sdu s VAL 32 CO 0.03 0.35 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 1sdu s ILE 33 N 1.60 3.48 0.59 2.22 -1.09 0.63 -0.36 121.20 128.26 1sdu s ILE 33 Ca 0.04 -0.72 -0.19 0.00 -2.23 0.00 0.00 60.65 57.54 1sdu s ILE 33 Cb -0.13 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 1sdu s ILE 33 CO -0.09 0.48 1.10 -0.62 -1.23 0.00 0.00 174.94 174.58 1sdu n GLU 34 N 1.86 1.12 -1.71 2.79 1.02 -1.26 -1.90 120.64 122.57 1sdu n GLU 34 Ca -0.16 0.43 -0.66 0.00 -0.02 0.00 0.00 57.16 56.75 1sdu n GLU 34 Cb 0.53 -2.30 -0.09 0.00 -0.02 0.00 0.00 31.44 29.55 1sdu n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1sdu n GLU 35 N -1.09 0.11 -3.68 3.49 4.07 -0.84 -4.66 120.64 118.06 1sdu n GLU 35 Ca 0.13 0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 57.15 1sdu n GLU 35 Cb 0.46 -1.56 -0.07 0.00 -0.06 0.00 0.00 31.44 30.22 1sdu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sdu s MET 36 N 2.58 0.89 -1.24 5.31 0.23 -1.26 -5.01 119.30 120.79 1sdu s MET 36 Ca 1.02 -0.36 -0.09 0.00 -1.03 0.00 0.00 55.69 55.24 1sdu s MET 36 Cb -1.42 0.40 0.19 0.00 -1.53 0.00 0.00 34.83 32.46 1sdu s MET 36 CO 0.77 -0.30 1.77 0.43 -2.03 0.00 0.00 175.02 175.65 1sdu n SER 37 N 0.57 5.30 -4.76 -1.18 7.64 -1.26 -4.99 113.62 114.95 1sdu n SER 37 Ca -0.19 -3.14 -0.40 0.00 1.01 0.00 0.00 58.87 56.15 1sdu n SER 37 Cb 0.59 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.30 1sdu n SER 37 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sdu s LEU 38 N -0.38 4.55 0.62 -3.43 2.96 -1.26 -5.01 118.68 116.72 1sdu s LEU 38 Ca 0.38 2.26 -0.10 0.00 -0.22 0.00 0.00 54.13 56.46 1sdu s LEU 38 Cb 0.07 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1sdu s LEU 38 CO 0.02 -0.14 1.00 -2.16 -1.32 0.00 0.00 176.35 173.75 1sdu s PRO 39 N -1.43 3.38 0.68 0.98 0.04 -1.26 -4.98 135.00 132.41 1sdu s PRO 39 Ca 0.44 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1sdu s PRO 39 Cb -0.32 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1sdu s PRO 39 CO 0.41 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1sdu n GLY 40 N -2.72 -1.84 3.82 0.56 0.00 -1.26 -4.98 105.19 98.76 1sdu n GLY 40 Ca 0.05 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1sdu n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdu s ARG 41 N 0.00 3.89 0.22 1.61 0.52 -1.26 -5.06 118.95 118.87 1sdu s ARG 41 Ca 0.00 1.15 -0.07 0.00 -0.52 0.00 0.00 55.73 56.28 1sdu s ARG 41 Cb 0.00 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1sdu s ARG 41 CO 0.00 -0.33 0.32 1.67 0.02 0.00 0.00 175.30 176.98 1sdu s TRP 42 N -2.30 0.72 -0.03 -0.53 1.48 -1.26 -4.63 118.94 112.39 1sdu s TRP 42 Ca 0.63 -1.02 0.04 0.00 -1.06 0.00 0.00 56.10 54.69 1sdu s TRP 42 Cb -0.12 -0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.03 1sdu s TRP 42 CO 0.24 -0.83 -0.15 0.21 -4.06 0.00 0.00 176.95 172.36 1sdu s LYS 43 N -4.08 1.39 0.45 3.25 2.20 -0.44 -4.92 119.74 117.59 1sdu s LYS 43 Ca 0.30 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 55.13 1sdu s LYS 43 Cb 0.03 -1.28 -0.08 0.00 -1.51 0.00 0.00 37.83 34.99 1sdu s LYS 43 CO 0.10 0.26 1.30 -2.14 -0.36 0.00 0.00 175.35 174.52 1sdu s PRO 44 N -0.12 3.75 0.06 4.03 0.02 -1.26 -0.53 135.00 140.94 1sdu s PRO 44 Ca 0.01 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 1sdu s PRO 44 Cb -0.08 -2.59 -0.00 0.00 0.02 0.00 0.00 34.50 31.84 1sdu s PRO 44 CO 0.01 -0.67 0.16 0.21 -0.33 0.00 0.00 177.00 176.38 1sdu s LYS 45 N -2.46 0.73 -0.10 5.54 2.20 -0.75 -4.85 119.74 120.04 1sdu s LYS 45 Ca 0.61 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 1sdu s LYS 45 Cb -0.37 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.23 1sdu s LYS 45 CO 0.47 -0.21 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.41 1sdu s MET 46 N -3.14 3.04 0.05 4.03 -1.94 -1.26 -1.28 119.30 118.80 1sdu s MET 46 Ca -0.01 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.22 1sdu s MET 46 Cb 0.02 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 1sdu s MET 46 CO -0.07 0.25 -0.17 0.96 -0.01 0.00 0.00 175.02 175.99 1sdu s ILE 47 N 0.19 1.33 -0.18 2.53 -4.36 -0.58 -4.95 121.20 115.19 1sdu s ILE 47 Ca -0.12 -1.12 -0.05 0.00 -0.26 0.00 0.00 60.65 59.11 1sdu s ILE 47 Cb -0.16 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 1sdu s ILE 47 CO 0.07 0.06 -0.01 -0.83 0.24 0.00 0.00 174.94 174.46 1sdu s GLY 48 N -1.23 1.74 0.00 6.27 0.00 -1.26 -0.96 107.32 111.88 1sdu s GLY 48 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1sdu s GLY 48 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.80 1sdu n GLY 49 N 3.82 4.17 0.25 0.20 0.00 -0.14 -4.98 105.19 108.51 1sdu n GLY 49 Ca -0.17 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.83 1sdu n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1sdu h ILE 50 N 0.37 0.73 -0.02 -0.61 3.07 -2.03 -3.07 117.51 115.94 1sdu h ILE 50 Ca 0.00 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.88 1sdu h ILE 50 Cb 0.00 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 1sdu h ILE 50 CO 0.00 0.13 -0.11 0.61 -1.05 0.00 0.00 178.15 177.73 1sdu n GLY 51 N -0.83 0.40 0.00 0.16 0.00 -1.26 -5.08 105.19 98.59 1sdu n GLY 51 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1sdu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdu n GLY 52 N 1.15 0.78 3.83 -0.02 0.00 -1.16 -5.12 105.19 104.66 1sdu n GLY 52 Ca 0.10 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 1sdu n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sdu s PHE 53 N -1.68 3.28 0.16 1.61 0.40 -1.26 -0.97 117.98 119.52 1sdu s PHE 53 Ca 0.00 0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1sdu s PHE 53 Cb 0.00 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1sdu s PHE 53 CO 0.00 0.53 -0.13 0.96 0.70 0.00 0.00 175.22 177.28 1sdu s ILE 54 N -1.54 1.45 -0.08 0.64 -4.36 -0.13 -4.96 121.20 112.22 1sdu s ILE 54 Ca 0.31 -1.97 -0.20 0.00 -0.26 0.00 0.00 60.65 58.54 1sdu s ILE 54 Cb -0.12 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1sdu s ILE 54 CO 0.24 -0.55 0.55 -0.54 0.24 0.00 0.00 174.94 174.88 1sdu s LYS 55 N -3.25 4.34 0.16 0.37 1.02 -1.26 -1.53 119.74 119.59 1sdu s LYS 55 Ca 0.15 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.76 1sdu s LYS 55 Cb -0.02 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1sdu s LYS 55 CO 0.04 0.20 0.03 0.14 -0.92 0.00 0.00 175.35 174.84 1sdu s VAL 56 N 0.42 0.45 -0.23 3.17 -7.23 -0.40 -4.55 120.40 112.03 1sdu s VAL 56 Ca 0.30 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1sdu s VAL 56 Cb -0.16 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1sdu s VAL 56 CO 0.14 -0.44 0.11 -0.13 -0.31 0.00 0.00 175.10 174.46 1sdu s ARG 57 N -3.97 3.91 -0.27 4.82 0.52 0.04 -1.80 118.95 122.19 1sdu s ARG 57 Ca 0.25 -0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.94 1sdu s ARG 57 Cb 0.07 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1sdu s ARG 57 CO 0.04 0.04 0.41 -1.14 0.02 0.00 0.00 175.30 174.66 1sdu s GLN 58 N 1.06 4.01 -0.12 3.54 0.74 0.31 -0.78 119.66 128.42 1sdu s GLN 58 Ca 0.05 0.09 -0.01 0.00 0.05 0.00 0.00 55.36 55.54 1sdu s GLN 58 Cb -0.14 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1sdu s GLN 58 CO 0.04 -0.31 -0.07 0.71 -0.55 0.00 0.00 175.29 175.11 1sdu s TYR 59 N 2.13 2.93 0.14 1.67 1.51 -0.23 -1.33 117.35 124.17 1sdu s TYR 59 Ca 0.16 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1sdu s TYR 59 Cb -0.16 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1sdu s TYR 59 CO 0.10 0.01 0.24 -0.51 -1.11 0.00 0.00 175.55 174.28 1sdu s ASP 60 N 0.03 6.13 -1.35 2.29 -0.00 -1.26 -1.13 116.67 121.38 1sdu s ASP 60 Ca -0.02 0.11 -0.01 0.00 -0.00 0.00 0.00 52.55 52.63 1sdu s ASP 60 Cb -0.14 -1.79 0.01 0.00 -0.00 0.00 0.00 42.92 40.99 1sdu s ASP 60 CO 0.03 0.07 0.65 0.00 -0.00 0.00 0.00 175.17 175.92 1sdu n GLN 61 N -0.39 -4.57 -3.32 8.23 1.13 -1.11 -4.93 117.38 112.43 1sdu n GLN 61 Ca -0.07 0.57 -0.38 0.00 -1.94 0.00 0.00 57.00 55.18 1sdu n GLN 61 Cb 0.54 -5.05 -0.06 0.00 0.11 0.00 0.00 30.24 25.78 1sdu n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sdu s ILE 62 N -3.71 5.18 0.04 5.09 -1.09 0.06 -4.77 121.20 122.00 1sdu s ILE 62 Ca 0.05 0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 59.09 1sdu s ILE 62 Cb -0.02 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1sdu s ILE 62 CO 0.83 0.29 0.91 -0.63 -1.23 0.00 0.00 174.94 175.12 1sdu s ILE 63 N 0.89 4.74 -0.11 2.92 1.01 -1.26 -1.31 121.20 128.08 1sdu s ILE 63 Ca 0.24 1.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.77 1sdu s ILE 63 Cb -0.15 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.10 1sdu s ILE 63 CO 0.09 0.25 0.26 -0.51 0.00 0.00 0.00 174.94 175.03 1sdu s ILE 64 N 0.49 -0.03 -0.20 2.92 2.07 -0.58 -4.41 121.20 121.47 1sdu s ILE 64 Ca 0.47 0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.71 1sdu s ILE 64 Cb -0.21 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 1sdu s ILE 64 CO 0.27 0.04 0.12 -0.70 -1.91 0.00 0.00 174.94 172.76 1sdu s GLU 65 N 0.95 4.16 -0.27 3.50 2.12 -0.32 -1.10 118.70 127.74 1sdu s GLU 65 Ca -0.07 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1sdu s GLU 65 Cb -0.08 -3.40 0.07 0.00 0.26 0.00 0.00 34.13 30.98 1sdu s GLU 65 CO -0.06 0.29 -0.06 0.42 -0.54 0.00 0.00 175.26 175.31 1sdu s ILE 66 N 0.39 1.96 -1.54 -3.70 1.01 0.62 -0.98 121.20 118.96 1sdu s ILE 66 Ca 0.07 -1.64 -0.13 0.00 0.00 0.00 0.00 60.65 58.96 1sdu s ILE 66 Cb -0.11 -2.19 0.09 0.00 0.01 0.00 0.00 42.46 40.25 1sdu s ILE 66 CO -0.02 -0.17 0.89 0.00 0.00 0.00 0.00 174.94 175.64 1sdu n ALA 67 N 4.48 -1.38 -0.73 9.38 0.00 -0.21 -0.54 120.51 131.51 1sdu n ALA 67 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sdu n ALA 67 Cb 0.43 -3.90 0.00 0.00 0.00 0.00 0.00 19.45 15.98 1sdu n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdu n GLY 68 N -1.64 0.97 3.45 0.00 0.00 -1.26 -5.03 105.19 101.68 1sdu n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1sdu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sdu s HIS 69 N -3.50 3.07 0.42 1.61 4.02 0.30 -5.09 115.29 116.13 1sdu s HIS 69 Ca 0.00 -0.42 -0.24 0.00 1.02 0.00 0.00 55.06 55.42 1sdu s HIS 69 Cb 0.00 -2.16 -0.08 0.00 -1.02 0.00 0.00 32.58 29.32 1sdu s HIS 69 CO 0.00 -0.28 1.12 0.15 1.02 0.00 0.00 174.74 176.75 1sdu s LYS 70 N 1.26 4.00 0.11 1.40 1.02 -1.26 -0.28 119.74 126.00 1sdu s LYS 70 Ca 0.04 1.69 -0.09 0.00 0.02 0.00 0.00 55.97 57.64 1sdu s LYS 70 Cb -0.15 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1sdu s LYS 70 CO 0.02 -0.33 0.22 0.00 -0.92 0.00 0.00 175.35 174.34 1sdu s ALA 71 N -1.55 -0.14 -0.10 5.17 0.00 -0.26 -4.79 121.76 120.09 1sdu s ALA 71 Ca 0.59 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1sdu s ALA 71 Cb -0.27 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1sdu s ALA 71 CO 0.33 -0.55 0.25 -1.50 0.00 0.00 0.00 175.76 174.29 1sdu s ILE 72 N -3.90 -0.03 -0.01 0.00 2.07 -1.26 -1.52 121.20 116.55 1sdu s ILE 72 Ca 0.09 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1sdu s ILE 72 Cb 0.04 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1sdu s ILE 72 CO -0.07 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 1sdu n GLY 73 N 4.00 -0.75 3.73 1.50 0.00 -0.43 -4.88 105.19 108.36 1sdu n GLY 73 Ca -0.23 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1sdu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sdu s THR 74 N -3.00 4.63 -0.05 2.61 2.01 -1.26 -0.76 115.64 119.82 1sdu s THR 74 Ca 0.00 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.02 1sdu s THR 74 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1sdu s THR 74 CO 0.00 0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.40 1sdu s VAL 75 N 0.24 1.09 -0.13 3.82 1.01 -0.29 -4.51 120.40 121.64 1sdu s VAL 75 Ca 0.47 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 1sdu s VAL 75 Cb -0.22 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1sdu s VAL 75 CO 0.28 0.34 0.11 -0.76 0.00 0.00 0.00 175.10 175.08 1sdu s LEU 76 N 0.50 4.22 -0.07 3.92 1.43 -0.10 -1.07 118.68 127.51 1sdu s LEU 76 Ca -0.11 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1sdu s LEU 76 Cb -0.14 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1sdu s LEU 76 CO 0.03 0.37 -0.20 -0.69 0.23 0.00 0.00 176.35 176.09 1sdu s VAL 77 N -0.80 1.72 -0.23 -1.59 1.01 0.04 -0.27 120.40 120.28 1sdu s VAL 77 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1sdu s VAL 77 Cb -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1sdu s VAL 77 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1sdu n GLY 78 N 3.38 -1.23 3.57 4.51 0.00 -0.80 -0.78 105.19 113.83 1sdu n GLY 78 Ca -0.19 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1sdu n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sdu s PRO 79 N -0.41 3.86 0.00 1.61 0.04 -1.26 -1.98 135.00 136.87 1sdu s PRO 79 Ca 0.00 -1.74 0.04 0.00 0.04 0.00 0.00 61.00 59.33 1sdu s PRO 79 Cb 0.00 -5.45 -0.03 0.00 0.04 0.00 0.00 34.50 29.05 1sdu s PRO 79 CO 0.00 -2.22 -0.09 -0.08 0.04 0.00 0.00 177.00 174.65 1sdu s THR 80 N 4.33 3.46 -1.14 1.26 -1.32 -1.26 -5.01 115.64 115.97 1sdu s THR 80 Ca 0.51 -0.83 0.26 0.00 -1.21 0.00 0.00 61.69 60.41 1sdu s THR 80 Cb 0.02 -2.49 0.29 0.00 -1.51 0.00 0.00 72.50 68.82 1sdu s THR 80 CO 0.02 0.40 1.84 -0.81 -2.21 0.00 0.00 174.62 173.86 1sdu n PRO 81 N 1.62 0.12 -3.78 7.08 -0.04 -1.26 -4.67 135.00 134.08 1sdu n PRO 81 Ca -0.16 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1sdu n PRO 81 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1sdu n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1sdu s VAL 82 N -2.86 0.03 0.05 0.52 -7.23 -1.26 -5.10 120.40 104.55 1sdu s VAL 82 Ca 0.16 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 1sdu s VAL 82 Cb 0.17 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.58 1sdu s VAL 82 CO 0.44 -0.12 1.07 0.20 -0.31 0.00 0.00 175.10 176.38 1sdu s ASN 83 N -0.48 7.26 -0.17 4.85 0.01 -1.26 -4.65 114.94 120.51 1sdu s ASN 83 Ca -0.06 1.85 0.01 0.00 -0.71 0.00 0.00 52.86 53.95 1sdu s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 1sdu s ASN 83 CO 0.02 -0.31 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.48 1sdu s ILE 84 N 0.78 1.92 -0.37 0.60 1.01 0.51 -0.55 121.20 125.09 1sdu s ILE 84 Ca 0.54 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1sdu s ILE 84 Cb -0.25 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1sdu s ILE 84 CO 0.29 0.52 0.47 -0.63 0.00 0.00 0.00 174.94 175.59 1sdu s ILE 85 N 1.33 5.05 0.29 2.92 -1.09 0.05 -1.21 121.20 128.54 1sdu s ILE 85 Ca 0.05 0.13 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 1sdu s ILE 85 Cb -0.13 -3.96 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1sdu s ILE 85 CO -0.12 -0.25 0.40 0.61 -1.23 0.00 0.00 174.94 174.35 1sdu n GLY 86 N 4.91 1.95 0.25 6.18 0.00 -1.21 -1.00 105.19 116.26 1sdu n GLY 86 Ca -0.06 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.85 1sdu n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sdu h ARG 87 N 0.00 0.07 -0.39 1.61 3.08 -1.06 -1.22 114.38 116.47 1sdu h ARG 87 Ca -0.13 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.95 1sdu h ARG 87 Cb 0.62 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1sdu h ARG 87 CO 0.19 0.12 0.26 -2.95 -1.07 0.00 0.00 179.97 176.52 1sdu h ASN 88 N 0.07 0.33 0.05 7.04 -1.07 -1.80 -1.74 115.58 118.46 1sdu h ASN 88 Ca 0.02 -0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.02 1sdu h ASN 88 Cb 0.13 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.23 1sdu h ASN 88 CO 0.01 0.23 -2.33 0.18 0.07 0.00 0.00 177.43 175.59 1sdu n LEU 89 N -4.48 0.13 0.21 6.14 4.77 -0.91 -4.41 117.00 118.46 1sdu n LEU 89 Ca 0.04 0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1sdu n LEU 89 Cb 0.18 0.44 0.47 0.00 -2.33 0.00 0.00 43.42 42.19 1sdu n LEU 89 CO 0.35 0.50 0.80 0.24 -1.33 0.00 0.00 177.39 177.95 1sdu h MET 90 N 0.00 0.00 -0.36 3.23 2.86 -0.99 -1.25 114.93 118.42 1sdu h MET 90 Ca -0.53 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.09 1sdu h MET 90 Cb 2.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.86 1sdu h MET 90 CO 0.03 0.28 0.12 1.79 1.06 0.00 0.00 176.91 180.19 1sdu h THR 91 N 0.00 1.16 0.00 2.22 1.35 -1.54 -2.16 112.91 113.94 1sdu h THR 91 Ca -0.00 -0.52 -0.07 0.00 -0.55 0.00 0.00 66.41 65.26 1sdu h THR 91 Cb 0.57 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1sdu h THR 91 CO 0.04 0.19 -0.34 1.56 -0.25 0.00 0.00 175.52 176.73 1sdu h GLN 92 N 0.52 0.00 -0.49 4.72 4.20 -1.43 -2.32 115.11 120.30 1sdu h GLN 92 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1sdu h GLN 92 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1sdu h GLN 92 CO -0.01 0.34 0.00 0.44 -0.67 0.00 0.00 178.83 178.93 1sdu n ILE 93 N -3.52 0.64 -2.17 2.54 -5.35 -1.06 -4.96 119.36 105.47 1sdu n ILE 93 Ca -0.00 -0.77 -0.07 0.00 -0.27 0.00 0.00 62.75 61.64 1sdu n ILE 93 Cb 0.48 0.71 -0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1sdu n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sdu n GLY 94 N 1.50 0.13 3.77 3.28 0.00 -0.87 -5.00 105.19 107.99 1sdu n GLY 94 Ca 0.20 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1sdu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdu s ALA 95 N -2.38 3.34 0.11 4.61 0.00 -0.84 -5.04 121.76 121.56 1sdu s ALA 95 Ca 0.01 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.52 1sdu s ALA 95 Cb -0.01 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1sdu s ALA 95 CO 0.02 0.23 -0.09 0.95 0.00 0.00 0.00 175.76 176.86 1sdu s THR 96 N -1.28 0.97 -0.08 0.00 -4.23 -1.26 -4.74 115.64 105.01 1sdu s THR 96 Ca 0.42 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.95 1sdu s THR 96 Cb -0.23 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1sdu s THR 96 CO 0.28 -0.69 0.30 -0.76 -0.54 0.00 0.00 174.62 173.21 1sdu s LEU 97 N -2.83 4.38 -0.03 4.79 1.43 -1.26 -5.10 118.68 120.06 1sdu s LEU 97 Ca 0.11 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1sdu s LEU 97 Cb 0.01 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1sdu s LEU 97 CO -0.01 0.27 -0.04 0.20 0.23 0.00 0.00 176.35 177.00 1sdu s ASN 98 N -0.54 0.76 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.02 1sdu s ASN 98 Ca 0.19 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 1sdu s ASN 98 Cb -0.14 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.78 1sdu s ASN 98 CO 0.08 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.80