#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnk s GLN 2 N 0.00 3.37 -0.28 0.54 0.74 -1.26 -5.09 119.66 117.67 2nnk s GLN 2 Ca 0.00 -0.63 -0.06 0.00 0.05 0.00 0.00 55.36 54.72 2nnk s GLN 2 Cb 0.00 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.14 2nnk s GLN 2 CO 0.00 -0.18 0.05 0.42 -0.55 0.00 0.00 175.29 175.03 2nnk s ILE 3 N 1.42 3.74 0.78 -2.34 1.01 -1.26 -5.09 121.20 119.46 2nnk s ILE 3 Ca 0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2nnk s ILE 3 Cb -0.14 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.47 2nnk s ILE 3 CO -0.03 0.12 1.10 0.42 0.00 0.00 0.00 174.94 176.55 2nnk s THR 4 N 1.47 3.11 -0.15 2.92 -4.23 -1.26 -5.01 115.64 112.49 2nnk s THR 4 Ca 0.02 0.36 0.18 0.00 -1.18 0.00 0.00 61.69 61.07 2nnk s THR 4 Cb -0.17 -3.17 0.34 0.00 1.34 0.00 0.00 72.50 70.84 2nnk s THR 4 CO 0.01 -0.47 1.21 0.18 -0.54 0.00 0.00 174.62 175.01 2nnk n LEU 5 N -3.34 2.73 0.14 4.79 4.77 -1.26 -4.53 117.00 120.30 2nnk n LEU 5 Ca 0.07 -3.02 0.05 0.00 -0.03 0.00 0.00 56.01 53.09 2nnk n LEU 5 Cb 0.57 -0.44 0.50 0.00 -2.33 0.00 0.00 43.42 41.72 2nnk n LEU 5 CO 0.57 0.69 1.05 -0.50 -1.33 0.00 0.00 177.39 177.87 2nnk h TRP 6 N 0.47 0.23 -2.17 -1.77 4.06 -2.06 -3.43 115.95 111.28 2nnk h TRP 6 Ca 0.00 -0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 2nnk h TRP 6 Cb 1.09 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 2nnk h TRP 6 CO 0.13 0.20 -0.70 0.15 -3.56 0.00 0.00 178.44 174.66 2nnk s LYS 7 N -5.11 1.71 0.29 0.49 -0.14 -1.26 -5.11 119.74 110.62 2nnk s LYS 7 Ca -0.06 -1.85 -0.30 0.00 -1.36 0.00 0.00 55.97 52.40 2nnk s LYS 7 Cb 0.17 -1.60 -0.12 0.00 -1.68 0.00 0.00 37.83 34.59 2nnk s LYS 7 CO 0.71 0.18 1.50 0.54 -0.76 0.00 0.00 175.35 177.51 2nnk n ARG 8 N -0.69 2.44 -2.49 1.68 1.74 -1.26 -4.86 116.66 113.22 2nnk n ARG 8 Ca -0.05 0.87 -0.43 0.00 -0.77 0.00 0.00 57.85 57.46 2nnk n ARG 8 Cb 0.62 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2nnk n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nnk n PRO 9 N 1.79 3.21 -3.39 5.56 -0.04 -1.26 -4.95 135.00 135.92 2nnk n PRO 9 Ca 0.08 -3.31 -0.38 0.00 -0.04 0.00 0.00 63.50 59.86 2nnk n PRO 9 Cb 0.35 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 2nnk n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nnk s LEU 10 N 2.88 4.38 0.18 1.53 1.43 -1.26 -0.77 118.68 127.04 2nnk s LEU 10 Ca 0.49 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2nnk s LEU 10 Cb 0.05 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2nnk s LEU 10 CO 0.03 0.16 0.03 0.68 0.23 0.00 0.00 176.35 177.48 2nnk s VAL 11 N -0.24 0.50 0.01 -1.59 -7.23 0.08 -4.95 120.40 106.99 2nnk s VAL 11 Ca 0.25 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.20 2nnk s VAL 11 Cb -0.16 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2nnk s VAL 11 CO 0.12 -0.38 0.76 -0.89 -0.31 0.00 0.00 175.10 174.40 2nnk s THR 12 N -3.78 4.83 0.23 5.32 2.01 -1.26 -0.55 115.64 122.44 2nnk s THR 12 Ca 0.27 1.60 0.10 0.00 0.31 0.00 0.00 61.69 63.97 2nnk s THR 12 Cb 0.07 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2nnk s THR 12 CO 0.05 0.33 -0.19 0.27 -0.69 0.00 0.00 174.62 174.39 2nnk s ILE 13 N 0.22 2.19 -0.11 1.82 -4.36 0.74 -0.99 121.20 120.71 2nnk s ILE 13 Ca 0.39 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 2nnk s ILE 13 Cb -0.20 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.38 2nnk s ILE 13 CO 0.22 -0.40 -0.15 -0.75 0.24 0.00 0.00 174.94 174.10 2nnk s LYS 14 N -3.34 2.21 -0.10 0.37 2.20 0.05 -0.98 119.74 120.15 2nnk s LYS 14 Ca 0.25 -0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2nnk s LYS 14 Cb -0.04 -1.90 0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2nnk s LYS 14 CO 0.11 -0.08 0.25 -1.50 -0.36 0.00 0.00 175.35 173.77 2nnk s ILE 15 N 1.04 -0.04 -1.80 5.43 2.07 -0.30 -1.46 121.20 126.14 2nnk s ILE 15 Ca -0.05 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 2nnk s ILE 15 Cb -0.15 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2nnk s ILE 15 CO -0.02 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2nnk n GLY 16 N 4.09 -0.31 2.12 1.50 0.00 -1.26 -1.31 105.19 110.02 2nnk n GLY 16 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2nnk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnk n GLY 17 N -0.98 0.99 3.30 -0.02 0.00 -1.26 -5.03 105.19 102.20 2nnk n GLY 17 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2nnk n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nnk s GLN 18 N -0.29 2.78 -0.06 1.61 -0.21 -0.43 -5.09 119.66 117.97 2nnk s GLN 18 Ca 0.00 -0.84 -0.23 0.00 0.02 0.00 0.00 55.36 54.31 2nnk s GLN 18 Cb 0.00 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 2nnk s GLN 18 CO 0.00 0.35 0.69 -0.51 -2.12 0.00 0.00 175.29 173.70 2nnk s LEU 19 N -0.06 4.33 0.13 2.90 1.43 -1.26 -1.15 118.68 125.00 2nnk s LEU 19 Ca -0.06 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2nnk s LEU 19 Cb -0.14 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2nnk s LEU 19 CO 0.05 -0.10 0.05 -0.54 0.23 0.00 0.00 176.35 176.03 2nnk s LYS 20 N 0.72 0.93 -0.09 1.70 1.02 -0.15 -5.00 119.74 118.88 2nnk s LYS 20 Ca 0.37 -1.44 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 2nnk s LYS 20 Cb -0.18 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 2nnk s LYS 20 CO 0.18 -0.24 0.12 -1.21 -0.92 0.00 0.00 175.35 173.28 2nnk s GLU 21 N -4.03 3.33 0.06 1.68 0.41 -1.26 -0.18 118.70 118.70 2nnk s GLU 21 Ca 0.23 -0.24 -0.06 0.00 -0.41 0.00 0.00 54.97 54.49 2nnk s GLU 21 Cb 0.07 -3.08 -0.01 0.00 -1.78 0.00 0.00 34.13 29.33 2nnk s GLU 21 CO 0.01 0.74 0.12 0.00 -0.49 0.00 0.00 175.26 175.65 2nnk s ALA 22 N -1.06 -0.07 -0.21 5.21 0.00 0.29 -4.44 121.76 121.48 2nnk s ALA 22 Ca 0.17 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 2nnk s ALA 22 Cb -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2nnk s ALA 22 CO 0.07 -0.40 0.39 -1.17 0.00 0.00 0.00 175.76 174.65 2nnk s LEU 23 N -2.51 4.14 -0.43 0.00 2.96 0.22 -0.74 118.68 122.33 2nnk s LEU 23 Ca 0.00 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 2nnk s LEU 23 Cb 0.02 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2nnk s LEU 23 CO -0.08 -0.08 1.23 -0.76 -1.32 0.00 0.00 176.35 175.34 2nnk s LEU 24 N 1.38 3.67 -0.42 -0.68 1.43 0.05 -0.83 118.68 123.27 2nnk s LEU 24 Ca 0.18 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 2nnk s LEU 24 Cb -0.15 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2nnk s LEU 24 CO 0.08 -1.25 0.18 -0.62 0.23 0.00 0.00 176.35 174.97 2nnk s ASP 25 N 2.85 4.13 0.50 2.29 -1.08 0.04 -4.77 116.67 120.63 2nnk s ASP 25 Ca 0.52 -2.49 0.33 0.00 -0.52 0.00 0.00 52.55 50.39 2nnk s ASP 25 Cb -0.10 -1.31 1.50 0.00 -1.46 0.00 0.00 42.92 41.55 2nnk s ASP 25 CO 0.30 -0.30 1.99 0.71 0.52 0.00 0.00 175.17 178.38 2nnk h THR 26 N 5.79 0.00 -0.20 1.71 1.35 -1.94 -2.35 112.91 117.27 2nnk h THR 26 Ca -0.06 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2nnk h THR 26 Cb 0.95 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2nnk h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2nnk n GLY 27 N -0.30 0.30 3.50 5.82 0.00 -1.26 -4.81 105.19 108.45 2nnk n GLY 27 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2nnk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnk s ALA 28 N -1.75 3.09 0.27 4.61 0.00 -0.88 -4.98 121.76 122.12 2nnk s ALA 28 Ca 0.30 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2nnk s ALA 28 Cb 0.16 -1.73 0.39 0.00 0.00 0.00 0.00 23.12 21.94 2nnk s ALA 28 CO 0.24 0.03 1.71 -0.44 0.00 0.00 0.00 175.76 177.30 2nnk h ASP 29 N 7.08 0.50 -2.30 0.00 3.32 -1.88 0.26 116.42 123.41 2nnk h ASP 29 Ca -0.34 -0.17 -0.59 0.00 0.02 0.00 0.00 57.03 55.94 2nnk h ASP 29 Cb 1.18 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 2nnk h ASP 29 CO 0.63 0.75 -0.76 -1.81 -1.72 0.00 0.00 179.24 176.34 2nnk s ASP 30 N -6.81 3.49 -0.25 6.45 1.01 -1.26 -3.18 116.67 116.12 2nnk s ASP 30 Ca -0.07 -1.03 -0.12 0.00 0.71 0.00 0.00 52.55 52.04 2nnk s ASP 30 Cb 0.14 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 2nnk s ASP 30 CO 0.79 0.01 0.22 -0.89 0.21 0.00 0.00 175.17 175.52 2nnk s THR 31 N -2.56 5.31 -0.13 -1.27 2.01 -1.26 -3.19 115.64 114.55 2nnk s THR 31 Ca 0.29 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2nnk s THR 31 Cb -0.04 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2nnk s THR 31 CO 0.14 0.28 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.56 2nnk s VAL 32 N 1.41 1.26 0.03 3.82 1.01 -0.36 -1.08 120.40 126.50 2nnk s VAL 32 Ca 0.09 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.70 2nnk s VAL 32 Cb -0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2nnk s VAL 32 CO 0.07 0.41 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 2nnk s ILE 33 N 1.57 2.95 0.74 2.22 -1.09 0.67 -0.38 121.20 127.87 2nnk s ILE 33 Ca 0.04 -1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 57.22 2nnk s ILE 33 Cb -0.13 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 2nnk s ILE 33 CO -0.09 0.37 0.85 -0.62 -1.23 0.00 0.00 174.94 174.21 2nnk n GLU 34 N 1.61 0.39 -1.65 2.79 1.02 -1.26 -1.56 120.64 121.98 2nnk n GLU 34 Ca -0.16 0.19 -0.51 0.00 -0.02 0.00 0.00 57.16 56.65 2nnk n GLU 34 Cb 0.52 -2.12 -0.06 0.00 -0.02 0.00 0.00 31.44 29.77 2nnk n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2nnk n GLU 35 N -1.65 1.53 -3.50 3.49 -0.58 -1.18 -4.59 120.64 114.16 2nnk n GLU 35 Ca 0.12 0.56 -0.09 0.00 -0.42 0.00 0.00 57.16 57.32 2nnk n GLU 35 Cb 0.50 -2.27 -0.02 0.00 -0.57 0.00 0.00 31.44 29.08 2nnk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nnk s MET 36 N 1.78 0.98 0.24 3.49 0.23 -1.26 -5.04 119.30 119.72 2nnk s MET 36 Ca 0.87 -0.38 -0.18 0.00 -1.03 0.00 0.00 55.69 54.98 2nnk s MET 36 Cb -0.88 0.44 -0.08 0.00 -1.53 0.00 0.00 34.83 32.78 2nnk s MET 36 CO 0.50 -0.43 0.71 -1.12 -2.03 0.00 0.00 175.02 172.65 2nnk s SER 37 N -2.59 6.96 0.10 -1.18 0.01 -1.26 -5.01 113.70 110.74 2nnk s SER 37 Ca 0.04 1.35 0.05 0.00 1.31 0.00 0.00 55.95 58.70 2nnk s SER 37 Cb -0.01 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2nnk s SER 37 CO -0.09 -0.02 -0.12 -0.76 0.41 0.00 0.00 173.24 172.65 2nnk s LEU 38 N -2.24 2.38 0.58 2.44 1.43 -1.26 -4.94 118.68 117.07 2nnk s LEU 38 Ca 0.45 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2nnk s LEU 38 Cb -0.15 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 2nnk s LEU 38 CO 0.20 -0.18 1.02 -2.16 0.23 0.00 0.00 176.35 175.47 2nnk s PRO 39 N -2.50 3.58 0.39 1.29 0.04 -1.26 -4.95 135.00 131.59 2nnk s PRO 39 Ca 0.05 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2nnk s PRO 39 Cb -0.05 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2nnk s PRO 39 CO 0.02 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2nnk n GLY 40 N -1.68 -2.14 3.78 0.56 0.00 -1.26 -4.98 105.19 99.47 2nnk n GLY 40 Ca 0.07 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 2nnk n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnk s ARG 41 N -0.17 3.61 0.15 1.61 0.52 -1.26 -5.08 118.95 118.33 2nnk s ARG 41 Ca 0.00 1.56 -0.06 0.00 -0.52 0.00 0.00 55.73 56.71 2nnk s ARG 41 Cb 0.00 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 2nnk s ARG 41 CO 0.00 -0.62 0.19 1.67 0.02 0.00 0.00 175.30 176.56 2nnk s TRP 42 N -1.78 0.56 0.03 -0.53 1.48 -1.26 -4.41 118.94 113.03 2nnk s TRP 42 Ca 0.69 -0.94 -0.02 0.00 -1.06 0.00 0.00 56.10 54.77 2nnk s TRP 42 Cb -0.22 -0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 31.85 2nnk s TRP 42 CO 0.26 -0.64 0.00 -1.59 -4.06 0.00 0.00 176.95 170.93 2nnk s LYS 43 N -3.99 0.43 0.53 3.25 -2.85 -0.75 -4.92 119.74 111.44 2nnk s LYS 43 Ca 0.19 -0.75 -0.19 0.00 -1.00 0.00 0.00 55.97 54.23 2nnk s LYS 43 Cb 0.05 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 2nnk s LYS 43 CO 0.00 -0.08 1.08 -1.25 0.10 0.00 0.00 175.35 175.20 2nnk s PRO 44 N -2.16 3.50 0.02 1.78 0.04 -1.26 -0.80 135.00 136.12 2nnk s PRO 44 Ca -0.09 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 2nnk s PRO 44 Cb -0.05 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2nnk s PRO 44 CO -0.03 -0.69 0.32 0.21 0.04 0.00 0.00 177.00 176.84 2nnk s LYS 45 N -3.43 0.76 -0.13 4.56 2.20 -0.63 -4.88 119.74 118.19 2nnk s LYS 45 Ca 0.69 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2nnk s LYS 45 Cb -0.19 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2nnk s LYS 45 CO 0.26 -0.23 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.24 2nnk s MET 46 N -1.98 3.32 0.10 4.03 -1.94 -1.26 -0.39 119.30 121.19 2nnk s MET 46 Ca -0.09 -0.71 0.07 0.00 -1.71 0.00 0.00 55.69 53.24 2nnk s MET 46 Cb -0.03 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.17 2nnk s MET 46 CO 0.00 0.17 -0.17 0.96 -0.01 0.00 0.00 175.02 175.97 2nnk s ILE 47 N 0.45 1.47 0.34 2.53 -4.36 -0.58 -4.97 121.20 116.08 2nnk s ILE 47 Ca -0.10 -1.55 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 2nnk s ILE 47 Cb -0.16 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 2nnk s ILE 47 CO 0.05 -0.21 0.10 -0.83 0.24 0.00 0.00 174.94 174.29 2nnk s GLY 48 N -2.06 2.22 0.00 6.27 0.00 -1.26 -0.86 107.32 111.63 2nnk s GLY 48 Ca 0.05 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.08 2nnk s GLY 48 CO 0.04 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 171.98 2nnk n GLY 49 N -0.73 -0.71 3.76 0.20 0.00 -0.75 -5.00 105.19 101.98 2nnk n GLY 49 Ca -0.03 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2nnk n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nnk s ILE 50 N -3.65 3.09 0.00 -0.61 1.01 -1.26 -2.24 121.20 117.54 2nnk s ILE 50 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2nnk s ILE 50 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2nnk s ILE 50 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2nnk n GLY 51 N 1.06 1.59 0.00 6.18 0.00 -1.26 -4.90 105.19 107.86 2nnk n GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nnk n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnk n GLY 52 N -2.00 0.20 3.44 -0.02 0.00 -0.95 -5.07 105.19 100.79 2nnk n GLY 52 Ca 0.00 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 2nnk n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nnk s PHE 53 N 0.00 2.33 0.14 1.61 0.40 -1.26 -1.80 117.98 119.39 2nnk s PHE 53 Ca 0.00 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.06 2nnk s PHE 53 Cb 0.00 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2nnk s PHE 53 CO 0.00 0.51 -0.17 0.96 0.70 0.00 0.00 175.22 177.22 2nnk s ILE 54 N -1.71 1.64 -0.06 0.64 -4.36 -0.04 -4.97 121.20 112.35 2nnk s ILE 54 Ca 0.21 -1.79 -0.18 0.00 -0.26 0.00 0.00 60.65 58.63 2nnk s ILE 54 Cb -0.08 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 2nnk s ILE 54 CO 0.10 -0.31 0.50 -0.75 0.24 0.00 0.00 174.94 174.73 2nnk s LYS 55 N -2.60 4.25 0.20 0.37 2.20 -1.26 -1.53 119.74 121.37 2nnk s LYS 55 Ca 0.12 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.29 2nnk s LYS 55 Cb -0.06 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2nnk s LYS 55 CO 0.05 0.32 -0.03 0.14 -0.36 0.00 0.00 175.35 175.47 2nnk s VAL 56 N 0.05 1.06 -0.21 4.02 -7.23 0.48 -4.43 120.40 114.13 2nnk s VAL 56 Ca 0.27 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.30 2nnk s VAL 56 Cb -0.16 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2nnk s VAL 56 CO 0.13 -0.46 0.13 -0.13 -0.31 0.00 0.00 175.10 174.46 2nnk s ARG 57 N -3.83 4.10 -0.35 4.82 0.52 0.17 -1.61 118.95 122.77 2nnk s ARG 57 Ca 0.25 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 55.05 2nnk s ARG 57 Cb 0.05 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 2nnk s ARG 57 CO 0.06 0.19 0.33 -1.14 0.02 0.00 0.00 175.30 174.76 2nnk s GLN 58 N 0.67 3.48 -0.19 3.54 0.74 0.02 -0.64 119.66 127.28 2nnk s GLN 58 Ca 0.07 -0.53 -0.07 0.00 0.05 0.00 0.00 55.36 54.88 2nnk s GLN 58 Cb -0.12 -3.83 -0.04 0.00 1.10 0.00 0.00 33.01 30.13 2nnk s GLN 58 CO 0.01 -0.54 0.04 0.71 -0.55 0.00 0.00 175.29 174.96 2nnk s TYR 59 N 1.93 3.16 0.29 1.67 1.51 -0.20 -1.81 117.35 123.90 2nnk s TYR 59 Ca 0.10 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2nnk s TYR 59 Cb -0.17 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 2nnk s TYR 59 CO 0.11 -0.00 0.45 -0.51 -1.11 0.00 0.00 175.55 174.49 2nnk s ASP 60 N 0.66 6.31 -1.24 2.29 1.01 -1.26 -0.96 116.67 123.47 2nnk s ASP 60 Ca 0.02 0.25 -0.02 0.00 0.71 0.00 0.00 52.55 53.52 2nnk s ASP 60 Cb -0.13 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 2nnk s ASP 60 CO 0.02 -0.17 0.81 0.00 0.21 0.00 0.00 175.17 176.04 2nnk n GLN 61 N -1.56 -5.02 -4.20 8.23 6.02 -1.16 -4.92 117.38 114.76 2nnk n GLN 61 Ca -0.07 0.70 -0.35 0.00 -0.01 0.00 0.00 57.00 57.28 2nnk n GLN 61 Cb 0.57 -5.39 -0.10 0.00 1.02 0.00 0.00 30.24 26.34 2nnk n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2nnk s ILE 62 N -3.54 4.50 -0.05 5.09 -1.09 -0.11 -4.84 121.20 121.15 2nnk s ILE 62 Ca 0.06 -0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.14 2nnk s ILE 62 Cb -0.01 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2nnk s ILE 62 CO 0.78 0.53 0.52 -0.63 -1.23 0.00 0.00 174.94 174.92 2nnk s ILE 63 N -0.16 5.04 -0.03 2.92 1.01 -1.26 -1.45 121.20 127.26 2nnk s ILE 63 Ca 0.06 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.80 2nnk s ILE 63 Cb -0.12 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.50 2nnk s ILE 63 CO 0.02 0.40 -0.07 -0.63 0.00 0.00 0.00 174.94 174.66 2nnk s ILE 64 N 0.03 0.68 -0.22 2.92 1.01 -0.08 -4.54 121.20 121.00 2nnk s ILE 64 Ca 0.28 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 2nnk s ILE 64 Cb -0.17 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2nnk s ILE 64 CO 0.14 0.23 0.55 -1.61 0.00 0.00 0.00 174.94 174.25 2nnk s GLU 65 N 0.49 4.16 -0.27 2.79 2.02 -0.53 -1.03 118.70 126.32 2nnk s GLU 65 Ca -0.07 0.44 0.01 0.00 0.02 0.00 0.00 54.97 55.37 2nnk s GLU 65 Cb -0.11 -3.60 0.05 0.00 0.10 0.00 0.00 34.13 30.57 2nnk s GLU 65 CO 0.01 -0.24 -0.07 0.42 0.02 0.00 0.00 175.26 175.39 2nnk s ILE 66 N 1.94 2.52 -1.68 -1.63 1.01 0.75 -0.77 121.20 123.33 2nnk s ILE 66 Ca 0.24 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 2nnk s ILE 66 Cb -0.16 -2.42 0.15 0.00 0.01 0.00 0.00 42.46 40.04 2nnk s ILE 66 CO 0.09 -0.00 0.80 0.00 0.00 0.00 0.00 174.94 175.83 2nnk n ALA 67 N 4.53 -1.24 -0.50 9.38 0.00 -0.16 -0.89 120.51 131.63 2nnk n ALA 67 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2nnk n ALA 67 Cb 0.43 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.31 2nnk n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnk n GLY 68 N -1.40 0.78 3.32 0.00 0.00 -1.26 -5.04 105.19 101.59 2nnk n GLY 68 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2nnk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nnk s HIS 69 N -3.01 2.90 0.27 1.61 4.02 -0.07 -5.08 115.29 115.94 2nnk s HIS 69 Ca 0.00 -0.88 -0.29 0.00 1.02 0.00 0.00 55.06 54.91 2nnk s HIS 69 Cb 0.00 -2.00 -0.09 0.00 -1.02 0.00 0.00 32.58 29.46 2nnk s HIS 69 CO 0.00 -0.44 1.02 0.15 1.02 0.00 0.00 174.74 176.49 2nnk s LYS 70 N 1.06 4.69 0.02 1.40 1.02 -1.26 -0.18 119.74 126.49 2nnk s LYS 70 Ca 0.00 1.64 -0.00 0.00 0.02 0.00 0.00 55.97 57.62 2nnk s LYS 70 Cb -0.15 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2nnk s LYS 70 CO -0.01 0.31 -0.02 0.00 -0.92 0.00 0.00 175.35 174.71 2nnk s ALA 71 N -1.23 0.08 0.01 5.17 0.00 -0.20 -4.82 121.76 120.77 2nnk s ALA 71 Ca 0.44 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.96 2nnk s ALA 71 Cb -0.28 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2nnk s ALA 71 CO 0.36 -0.15 -0.16 -1.50 0.00 0.00 0.00 175.76 174.31 2nnk s ILE 72 N -1.29 1.27 -1.43 0.00 2.07 -1.26 -0.91 121.20 119.66 2nnk s ILE 72 Ca -0.14 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.27 2nnk s ILE 72 Cb -0.09 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.42 2nnk s ILE 72 CO -0.01 0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.88 2nnk n GLY 73 N 2.38 -0.87 3.73 1.50 0.00 -0.53 -4.93 105.19 106.48 2nnk n GLY 73 Ca -0.16 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2nnk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnk s THR 74 N -3.00 4.70 -0.08 2.61 2.01 -1.26 -0.94 115.64 119.68 2nnk s THR 74 Ca 0.00 1.91 0.04 0.00 0.31 0.00 0.00 61.69 63.95 2nnk s THR 74 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2nnk s THR 74 CO 0.00 0.28 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.31 2nnk s VAL 75 N 0.32 1.79 -0.15 3.82 1.01 -0.13 -4.50 120.40 122.56 2nnk s VAL 75 Ca 0.45 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 2nnk s VAL 75 Cb -0.22 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2nnk s VAL 75 CO 0.27 0.50 0.13 -0.76 0.00 0.00 0.00 175.10 175.23 2nnk s LEU 76 N 0.29 4.25 -0.13 3.92 1.43 -0.24 -1.03 118.68 127.18 2nnk s LEU 76 Ca -0.14 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2nnk s LEU 76 Cb -0.16 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2nnk s LEU 76 CO 0.06 0.32 -0.19 -0.69 0.23 0.00 0.00 176.35 176.08 2nnk s VAL 77 N -0.47 2.41 -0.27 -1.59 1.01 0.19 -0.24 120.40 121.44 2nnk s VAL 77 Ca 0.12 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2nnk s VAL 77 Cb -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2nnk s VAL 77 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2nnk n GLY 78 N 3.77 -1.17 2.84 4.51 0.00 -0.60 -0.66 105.19 113.88 2nnk n GLY 78 Ca -0.19 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2nnk n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nnk n PRO 79 N 0.00 3.05 -3.92 1.61 -0.04 -1.26 -3.09 135.00 131.34 2nnk n PRO 79 Ca 0.00 -2.87 -0.36 0.00 -0.04 0.00 0.00 63.50 60.23 2nnk n PRO 79 Cb 0.00 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.18 2nnk n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nnk s THR 80 N 2.65 5.39 -1.20 0.52 -1.32 -1.26 -4.99 115.64 115.43 2nnk s THR 80 Ca 0.46 0.07 0.29 0.00 -1.21 0.00 0.00 61.69 61.30 2nnk s THR 80 Cb 0.12 -3.39 0.33 0.00 -1.51 0.00 0.00 72.50 68.05 2nnk s THR 80 CO -0.06 0.53 1.92 -0.81 -2.21 0.00 0.00 174.62 174.00 2nnk n PRO 81 N 1.70 0.21 -3.90 7.08 -0.04 -1.26 -4.57 135.00 134.21 2nnk n PRO 81 Ca -0.17 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2nnk n PRO 81 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2nnk n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nnk s VAL 82 N -2.81 0.06 0.03 0.52 1.01 -1.26 -5.08 120.40 112.87 2nnk s VAL 82 Ca 0.20 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2nnk s VAL 82 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.45 2nnk s VAL 82 CO 0.52 0.03 1.20 0.20 0.00 0.00 0.00 175.10 177.05 2nnk s ASN 83 N 0.14 7.07 -0.15 3.32 0.01 -1.26 -4.66 114.94 119.40 2nnk s ASN 83 Ca -0.01 1.96 0.01 0.00 -0.71 0.00 0.00 52.86 54.12 2nnk s ASN 83 Cb -0.02 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2nnk s ASN 83 CO -0.00 -0.51 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.20 2nnk s VAL 84 N 1.41 2.31 -0.43 1.60 1.01 0.49 -0.61 120.40 126.18 2nnk s VAL 84 Ca 0.58 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 2nnk s VAL 84 Cb -0.28 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2nnk s VAL 84 CO 0.27 0.53 0.45 -0.63 0.00 0.00 0.00 175.10 175.72 2nnk s ILE 85 N 0.89 5.08 0.38 2.22 -1.09 -0.01 -1.22 121.20 127.44 2nnk s ILE 85 Ca -0.05 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2nnk s ILE 85 Cb -0.15 -4.06 0.07 0.00 -1.58 0.00 0.00 42.46 36.74 2nnk s ILE 85 CO -0.03 -0.45 0.52 0.61 -1.23 0.00 0.00 174.94 174.37 2nnk n GLY 86 N 5.11 1.23 0.29 6.18 0.00 -1.19 -0.78 105.19 116.03 2nnk n GLY 86 Ca -0.07 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.93 2nnk n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nnk h ARG 87 N 0.00 0.29 -0.15 1.61 3.08 -1.00 -0.91 114.38 117.30 2nnk h ARG 87 Ca -0.17 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.90 2nnk h ARG 87 Cb 0.70 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2nnk h ARG 87 CO 0.21 0.20 0.13 -2.95 -1.07 0.00 0.00 179.97 176.48 2nnk h ASN 88 N 0.30 0.00 0.00 7.04 -1.07 -1.81 -1.82 115.58 118.22 2nnk h ASN 88 Ca 0.08 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.25 2nnk h ASN 88 Cb -0.03 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.18 2nnk h ASN 88 CO -0.02 0.00 -1.94 0.18 0.07 0.00 0.00 177.43 175.72 2nnk n LEU 89 N -4.24 0.00 -0.12 6.14 4.77 -0.79 -4.46 117.00 118.31 2nnk n LEU 89 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2nnk n LEU 89 Cb 0.25 0.27 0.29 0.00 -2.33 0.00 0.00 43.42 41.90 2nnk n LEU 89 CO 0.32 0.27 1.13 -0.07 -1.33 0.00 0.00 177.39 177.72 2nnk h LEU 90 N 0.00 0.70 -1.39 2.23 3.38 -0.84 -1.45 115.31 117.93 2nnk h LEU 90 Ca -0.30 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2nnk h LEU 90 Cb 1.61 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2nnk h LEU 90 CO 0.02 0.57 0.43 0.71 0.09 0.00 0.00 178.44 180.25 2nnk h THR 91 N 0.79 1.12 0.00 0.22 1.35 -1.56 -2.48 112.91 112.35 2nnk h THR 91 Ca 0.20 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2nnk h THR 91 Cb 0.03 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 66.68 2nnk h THR 91 CO -0.03 0.15 -0.09 1.56 -0.25 0.00 0.00 175.52 176.85 2nnk h GLN 92 N 0.81 0.00 -0.37 4.72 1.08 -1.48 -1.64 115.11 118.23 2nnk h GLN 92 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2nnk h GLN 92 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2nnk h GLN 92 CO -0.06 0.09 0.00 0.44 -0.95 0.00 0.00 178.83 178.35 2nnk n ILE 93 N -3.19 0.48 -1.85 2.54 -5.35 -1.04 -4.93 119.36 106.03 2nnk n ILE 93 Ca 0.01 -0.65 -0.05 0.00 -0.27 0.00 0.00 62.75 61.79 2nnk n ILE 93 Cb 0.41 0.71 -0.01 0.00 -1.74 0.00 0.00 39.64 39.02 2nnk n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nnk n GLY 94 N 1.40 0.32 3.75 3.28 0.00 -0.62 -5.00 105.19 108.32 2nnk n GLY 94 Ca 0.19 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2nnk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnk s ALA 95 N -2.23 3.35 0.09 4.61 0.00 -0.96 -5.04 121.76 121.58 2nnk s ALA 95 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2nnk s ALA 95 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2nnk s ALA 95 CO 0.00 0.03 -0.10 0.95 0.00 0.00 0.00 175.76 176.64 2nnk s THR 96 N -0.89 0.91 -0.13 0.00 -4.23 -1.26 -4.75 115.64 105.28 2nnk s THR 96 Ca 0.44 -1.61 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 2nnk s THR 96 Cb -0.28 -1.32 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 2nnk s THR 96 CO 0.34 -0.56 0.24 -0.22 -0.54 0.00 0.00 174.62 173.89 2nnk s LEU 97 N -2.40 4.32 -0.04 4.79 2.96 -1.26 -5.09 118.68 121.96 2nnk s LEU 97 Ca 0.05 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2nnk s LEU 97 Cb -0.03 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.40 2nnk s LEU 97 CO -0.00 0.25 -0.10 0.20 -1.32 0.00 0.00 176.35 175.37 2nnk s ASN 98 N -0.28 1.43 0.00 3.68 0.01 -1.26 -5.29 114.94 113.23 2nnk s ASN 98 Ca 0.16 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2nnk s ASN 98 Cb -0.13 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.06 2nnk s ASN 98 CO 0.05 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.91