#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni h LEU 3 N 0.00 0.11 -0.17 3.14 6.46 -2.07 -3.21 115.31 119.58 3kni h LEU 3 Ca 0.00 -0.90 0.04 0.00 -0.12 0.00 0.00 57.88 56.90 3kni h LEU 3 Cb 0.00 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 39.83 3kni h LEU 3 CO 0.00 1.20 -0.48 -1.28 -0.62 0.00 0.00 178.44 177.26 3kni h SER 4 N -0.84 -1.51 -1.11 1.25 0.87 -2.06 0.25 113.55 110.39 3kni h SER 4 Ca -0.11 0.19 0.32 0.00 -1.23 0.00 0.00 61.79 60.97 3kni h SER 4 Cb 1.22 0.61 -0.04 0.00 -0.44 0.00 0.00 62.40 63.74 3kni h SER 4 CO -0.01 -0.45 0.86 -0.33 -0.53 0.00 0.00 176.83 176.37 3kni h GLU 5 N -0.51 0.00 -0.02 2.24 5.08 -2.00 0.19 114.58 119.56 3kni h GLU 5 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kni h GLU 5 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3kni h GLU 5 CO -0.44 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 177.85 3kni h VAL 6 N 0.00 1.23 -0.29 3.13 2.07 -0.50 0.88 116.25 122.77 3kni h VAL 6 Ca 0.53 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3kni h VAL 6 Cb 2.23 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.61 3kni h VAL 6 CO -0.01 0.18 -0.08 0.08 0.02 0.00 0.00 177.57 177.76 3kni h ARG 7 N -0.25 -0.02 -0.60 1.57 0.11 -0.78 -0.74 114.38 113.67 3kni h ARG 7 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.99 3kni h ARG 7 Cb 0.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 3kni h ARG 7 CO 0.00 -0.01 -0.01 0.87 0.10 0.00 0.00 179.97 180.92 3kni h LYS 8 N -0.02 1.06 -0.51 0.08 1.57 -1.39 0.44 116.57 117.81 3kni h LYS 8 Ca 0.14 -0.34 0.15 0.00 -1.87 0.00 0.00 60.65 58.72 3kni h LYS 8 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3kni h LYS 8 CO -0.31 1.04 0.37 0.37 -0.57 0.00 0.00 179.45 180.36 3kni h GLN 9 N 0.96 0.00 0.00 3.15 4.15 0.15 -2.07 115.11 121.45 3kni h GLN 9 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3kni h GLN 9 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 3kni h GLN 9 CO 0.03 0.00 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.78 3kni h LEU 10 N 0.00 0.00 -1.00 -2.39 3.38 0.20 -3.16 115.31 112.35 3kni h LEU 10 Ca 0.24 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.61 3kni h LEU 10 Cb 0.98 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 3kni h LEU 10 CO -0.00 0.37 0.54 -0.33 0.09 0.00 0.00 178.44 179.11 3kni h GLU 11 N -0.67 0.07 0.00 1.13 5.08 -0.85 -0.26 114.58 119.08 3kni h GLU 11 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kni h GLU 11 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kni h GLU 11 CO 0.00 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 3kni n GLU 12 N -5.22 0.00 -0.34 2.33 1.02 -0.79 -3.78 120.64 113.87 3kni n GLU 12 Ca 0.37 0.30 0.18 0.00 -0.02 0.00 0.00 57.16 57.99 3kni n GLU 12 Cb 1.22 -1.22 0.39 0.00 -0.02 0.00 0.00 31.44 31.81 3kni n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kni h ALA 13 N -2.00 1.76 0.00 0.62 0.00 -1.34 -2.38 119.26 115.92 3kni h ALA 13 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kni h ALA 13 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kni h ALA 13 CO 0.00 -0.34 0.00 0.54 0.00 0.00 0.00 179.25 179.45 3kni n ARG 14 N -4.95 0.24 -2.66 0.00 5.12 -0.17 -3.03 116.66 111.21 3kni n ARG 14 Ca 0.27 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.15 3kni n ARG 14 Cb 0.78 -1.38 0.08 0.00 -1.16 0.00 0.00 32.46 30.77 3kni n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3kni n LYS 15 N 1.36 0.06 0.00 5.56 2.85 -0.90 -5.00 118.16 122.09 3kni n LYS 15 Ca 0.00 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 56.67 3kni n LYS 15 Cb 0.12 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.39 3kni n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3kni n LEU 16 N 1.53 0.00 -0.39 -5.58 4.77 -1.17 -5.01 117.00 111.14 3kni n LEU 16 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 3kni n LEU 16 Cb 0.71 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3kni n LEU 16 CO -0.15 0.07 -0.15 -0.24 -1.33 0.00 0.00 177.39 175.59 3kni n SER 17 N 0.00 -2.26 -0.14 -1.43 2.88 -1.26 -3.63 113.62 107.78 3kni n SER 17 Ca 0.00 0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.76 3kni n SER 17 Cb 0.17 -1.32 -0.01 0.00 -0.75 0.00 0.00 64.21 62.30 3kni n SER 17 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kni h PRO 18 N -0.38 0.97 0.12 -1.46 0.13 -1.97 -2.97 132.00 126.44 3kni h PRO 18 Ca -0.04 -0.46 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3kni h PRO 18 Cb 0.37 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.46 3kni h PRO 18 CO 0.02 1.13 -0.27 0.28 -0.23 0.00 0.00 178.00 178.92 3kni h VAL 19 N 0.82 0.40 -0.95 1.56 2.07 -2.01 0.17 116.25 118.31 3kni h VAL 19 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3kni h VAL 19 Cb 0.88 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3kni h VAL 19 CO 0.08 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.22 3kni h GLU 20 N -0.49 1.24 0.22 1.57 4.57 -1.64 -2.89 114.58 117.16 3kni h GLU 20 Ca 0.03 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3kni h GLU 20 Cb 0.51 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 3kni h GLU 20 CO -0.15 0.82 -0.33 -0.07 -1.18 0.00 0.00 179.01 178.09 3kni h LEU 21 N 1.28 -0.94 -0.03 1.64 3.38 -1.23 -1.36 115.31 118.05 3kni h LEU 21 Ca 0.35 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.43 3kni h LEU 21 Cb -0.13 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kni h LEU 21 CO -0.08 -0.44 -0.20 -0.33 0.09 0.00 0.00 178.44 177.47 3kni h GLU 22 N -0.62 -0.23 -0.98 1.13 5.08 -0.85 -0.64 114.58 117.48 3kni h GLU 22 Ca 0.01 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3kni h GLU 22 Cb 0.61 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.77 3kni h GLU 22 CO -0.13 -0.15 -0.50 0.87 -1.00 0.00 0.00 179.01 178.10 3kni h LYS 23 N -0.24 -0.01 -0.60 2.33 1.57 -1.49 0.17 116.57 118.30 3kni h LYS 23 Ca 0.01 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3kni h LYS 23 Cb 0.26 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.46 3kni h LYS 23 CO -0.15 -0.01 -0.26 1.25 -0.57 0.00 0.00 179.45 179.71 3kni h LEU 24 N -0.01 -0.92 0.00 2.94 5.85 -0.69 -0.77 115.31 121.71 3kni h LEU 24 Ca 0.24 0.21 0.03 0.00 0.84 0.00 0.00 57.88 59.20 3kni h LEU 24 Cb 0.50 0.50 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3kni h LEU 24 CO -0.95 -0.27 -0.39 0.58 -0.34 0.00 0.00 178.44 177.07 3kni h VAL 25 N -0.10 0.20 -1.07 1.05 2.07 0.58 0.41 116.25 119.39 3kni h VAL 25 Ca 0.26 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.19 3kni h VAL 25 Cb 0.52 0.20 -0.15 0.00 -1.52 0.00 0.00 31.29 30.34 3kni h VAL 25 CO -0.67 0.00 0.63 0.54 0.02 0.00 0.00 177.57 178.09 3kni n ARG 26 N -5.44 -0.05 0.00 1.57 1.74 -0.33 0.91 116.66 115.07 3kni n ARG 26 Ca -0.05 1.23 0.02 0.00 -0.77 0.00 0.00 57.85 58.27 3kni n ARG 26 Cb 0.36 -2.29 0.10 0.00 -1.02 0.00 0.00 32.46 29.61 3kni n ARG 26 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kni n GLU 27 N -4.88 0.99 -0.04 5.56 1.02 0.14 -2.75 120.64 120.69 3kni n GLU 27 Ca 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.43 3kni n GLU 27 Cb 1.30 -1.05 -0.04 0.00 -0.02 0.00 0.00 31.44 31.63 3kni n GLU 27 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kni n LYS 28 N -0.55 0.20 -0.29 3.49 4.76 0.26 -4.06 118.16 121.98 3kni n LYS 28 Ca 0.03 0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.63 3kni n LYS 28 Cb 0.01 -1.05 0.26 0.00 -1.84 0.00 0.00 35.03 32.41 3kni n LYS 28 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3kni h LYS 29 N -0.10 0.25 0.27 1.97 1.79 -1.44 2.79 116.57 122.11 3kni h LYS 29 Ca -0.20 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 3kni h LYS 29 Cb 1.26 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3kni h LYS 29 CO -0.06 0.17 -0.26 -0.09 -1.08 0.00 0.00 179.45 178.12 3kni h ARG 30 N 0.26 -0.51 -0.62 3.15 2.43 -1.73 1.63 114.38 118.99 3kni h ARG 30 Ca 0.51 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.84 3kni h ARG 30 Cb 0.98 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 3kni h ARG 30 CO -0.59 -0.34 -0.17 1.49 -1.51 0.00 0.00 179.97 178.85 3kni h GLU 31 N -0.53 -0.01 -0.19 0.20 4.81 -0.87 0.78 114.58 118.76 3kni h GLU 31 Ca -0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3kni h GLU 31 Cb 0.46 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 3kni h GLU 31 CO -0.03 -0.01 -0.25 1.25 -0.73 0.00 0.00 179.01 179.25 3kni h LEU 32 N -0.01 -0.77 0.32 1.64 6.46 0.56 -2.32 115.31 121.18 3kni h LEU 32 Ca 0.30 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 3kni h LEU 32 Cb 0.46 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 3kni h LEU 32 CO -0.65 -0.29 -0.16 -0.03 -0.62 0.00 0.00 178.44 176.70 3kni h MET 33 N -0.28 -0.42 -1.32 1.25 4.05 0.57 -0.77 114.93 118.01 3kni h MET 33 Ca 0.12 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3kni h MET 33 Cb 0.46 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3kni h MET 33 CO -0.35 -0.20 0.00 -1.91 0.23 0.00 0.00 176.91 174.68 3kni n GLU 34 N -5.22 0.42 0.00 0.39 4.07 0.24 -0.39 120.64 120.15 3kni n GLU 34 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 3kni n GLU 34 Cb 0.23 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 3kni n GLU 34 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3kni n LEU 35 N 0.68 0.96 -0.05 4.31 4.77 -0.42 -4.67 117.00 122.58 3kni n LEU 35 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3kni n LEU 35 Cb 0.19 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3kni n LEU 35 CO 0.00 0.16 0.35 0.03 -1.33 0.00 0.00 177.39 176.60 3kni h ARG 36 N 0.00 0.81 -1.09 3.23 3.08 0.59 -2.93 114.38 118.07 3kni h ARG 36 Ca 0.00 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3kni h ARG 36 Cb 0.51 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kni h ARG 36 CO 0.00 1.21 0.00 1.19 -1.07 0.00 0.00 179.97 181.30 3kni n PHE 37 N -4.00 0.00 0.00 3.04 3.01 -0.14 0.76 117.46 120.13 3kni n PHE 37 Ca -0.06 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3kni n PHE 37 Cb 0.68 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 3kni n PHE 37 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3kni n GLN 38 N 0.65 4.44 -0.05 -1.08 6.02 -1.16 -4.70 117.38 121.50 3kni n GLN 38 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3kni n GLN 38 Cb 0.11 -0.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.97 3kni n GLN 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kni h ALA 39 N 0.00 0.48 0.00 -1.58 0.00 0.53 0.12 119.26 118.80 3kni h ALA 39 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 3kni h ALA 39 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kni h ALA 39 CO 0.00 0.69 -0.10 0.66 0.00 0.00 0.00 179.25 180.50 3kni h SER 40 N 0.59 0.00 0.07 0.00 4.64 -1.60 0.35 113.55 117.60 3kni h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kni h SER 40 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kni h SER 40 CO 0.13 0.10 -1.16 2.30 -0.87 0.00 0.00 176.83 177.33 3kni n ILE 41 N -3.43 0.02 -2.14 0.95 -5.35 -1.18 -5.02 119.36 103.21 3kni n ILE 41 Ca -0.01 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3kni n ILE 41 Cb 0.26 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 3kni n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kni n GLY 42 N 1.44 0.97 1.26 3.28 0.00 0.12 -4.55 105.19 107.72 3kni n GLY 42 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3kni n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kni n GLN 43 N 0.56 -1.40 -2.48 1.61 7.27 -1.26 -4.30 117.38 117.38 3kni n GLN 43 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 3kni n GLN 43 Cb 0.00 -3.60 0.03 0.00 2.41 0.00 0.00 30.24 29.08 3kni n GLN 43 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3kni n LEU 44 N -1.24 -1.14 -3.62 1.69 7.99 -1.26 -5.15 117.00 114.27 3kni n LEU 44 Ca 0.00 -2.13 -0.13 0.00 -0.01 0.00 0.00 56.01 53.75 3kni n LEU 44 Cb 0.12 0.64 -0.07 0.00 -0.11 0.00 0.00 43.42 44.01 3kni n LEU 44 CO 0.00 1.32 0.54 -0.55 -1.51 0.00 0.00 177.39 177.19 3kni s SER 45 N -0.44 -0.63 -0.54 -1.43 0.15 -1.26 -4.61 113.70 104.94 3kni s SER 45 Ca 0.07 1.16 0.04 0.00 0.70 0.00 0.00 55.95 57.92 3kni s SER 45 Cb 0.15 1.16 0.15 0.00 -1.71 0.00 0.00 66.02 65.78 3kni s SER 45 CO -0.04 -0.25 0.36 -1.10 1.20 0.00 0.00 173.24 173.41 3kni s GLN 46 N 0.15 1.73 0.00 5.44 -1.52 -1.26 -5.05 119.66 119.16 3kni s GLN 46 Ca 0.00 -2.60 0.00 0.00 -1.95 0.00 0.00 55.36 50.81 3kni s GLN 46 Cb -0.04 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.06 3kni s GLN 46 CO -0.01 -1.24 0.00 0.09 -0.25 0.00 0.00 175.29 173.88 3kni n ASN 47 N 2.77 0.00 -0.12 5.90 3.02 -1.26 -3.14 115.26 122.43 3kni n ASN 47 Ca 0.16 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.82 3kni n ASN 47 Cb 0.37 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.73 3kni n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kni n HIS 48 N 0.00 0.38 -0.22 3.10 1.44 -1.26 0.27 115.22 118.94 3kni n HIS 48 Ca 0.00 0.45 0.02 0.00 -2.01 0.00 0.00 57.72 56.18 3kni n HIS 48 Cb 0.00 -0.87 0.11 0.00 0.12 0.00 0.00 29.99 29.35 3kni n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3kni h LYS 49 N 0.00 0.11 0.69 -1.40 1.57 -1.98 0.16 116.57 115.72 3kni h LYS 49 Ca 0.29 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3kni h LYS 49 Cb 0.74 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.03 3kni h LYS 49 CO -0.31 0.07 -0.33 0.82 -0.57 0.00 0.00 179.45 179.13 3kni h ILE 50 N 0.11 0.26 0.00 1.86 2.04 0.36 -1.01 117.51 121.14 3kni h ILE 50 Ca 0.35 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3kni h ILE 50 Cb 0.57 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3kni h ILE 50 CO -0.57 0.02 0.05 -2.11 0.00 0.00 0.00 178.15 175.53 3kni n ARG 51 N -5.45 0.07 -0.07 2.37 1.85 -0.90 -2.80 116.66 111.74 3kni n ARG 51 Ca -0.13 0.56 -0.06 0.00 -1.00 0.00 0.00 57.85 57.21 3kni n ARG 51 Cb 0.38 -1.79 -0.04 0.00 -1.05 0.00 0.00 32.46 29.96 3kni n ARG 51 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3kni h ASP 52 N 0.00 0.00 0.09 2.89 5.19 0.55 -3.37 116.42 121.77 3kni h ASP 52 Ca 0.00 -0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.16 3kni h ASP 52 Cb 0.10 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 3kni h ASP 52 CO 0.00 0.77 -0.38 0.25 -3.12 0.00 0.00 179.24 176.77 3kni h LEU 53 N -1.00 -1.13 0.00 1.55 6.46 -1.12 -1.83 115.31 118.24 3kni h LEU 53 Ca -0.04 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3kni h LEU 53 Cb 0.47 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 3kni h LEU 53 CO -0.02 -0.40 0.00 0.29 -0.62 0.00 0.00 178.44 177.68 3kni n LYS 54 N -4.60 0.00 -0.06 1.25 4.76 -1.21 0.11 118.16 118.41 3kni n LYS 54 Ca -0.06 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.25 3kni n LYS 54 Cb 0.30 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.37 3kni n LYS 54 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kni h ARG 55 N 0.00 -0.01 -1.12 1.97 3.08 -1.59 -1.85 114.38 114.87 3kni h ARG 55 Ca 0.00 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.40 3kni h ARG 55 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 3kni h ARG 55 CO 0.00 0.85 0.69 1.96 -1.07 0.00 0.00 179.97 182.40 3kni h GLN 56 N -0.95 0.24 0.64 0.04 4.20 0.42 2.44 115.11 122.15 3kni h GLN 56 Ca -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3kni h GLN 56 Cb 0.86 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.59 3kni h GLN 56 CO 0.00 0.16 -0.31 0.82 -0.67 0.00 0.00 178.83 178.83 3kni h ILE 57 N 0.25 0.35 -0.46 2.54 1.08 -0.29 -2.27 117.51 118.71 3kni h ILE 57 Ca 0.74 -0.08 0.07 0.00 -0.39 0.00 0.00 64.86 65.20 3kni h ILE 57 Cb 1.97 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 36.01 3kni h ILE 57 CO -0.48 0.01 -0.44 0.00 -0.69 0.00 0.00 178.15 176.55 3kni h ALA 58 N -0.57 -0.43 -0.25 1.87 0.00 0.47 -1.44 119.26 118.90 3kni h ALA 58 Ca -0.09 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kni h ALA 58 Cb 0.67 0.93 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 3kni h ALA 58 CO 0.14 -0.87 -0.51 0.00 0.00 0.00 0.00 179.25 178.01 3kni h ARG 59 N -0.30 -0.46 -0.40 0.00 3.08 0.13 0.76 114.38 117.19 3kni h ARG 59 Ca 0.14 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.26 3kni h ARG 59 Cb 0.58 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3kni h ARG 59 CO -0.61 -0.31 -0.24 1.28 -1.07 0.00 0.00 179.97 179.03 3kni n LEU 60 N -5.42 -0.43 0.15 3.04 4.77 -0.58 0.11 117.00 118.63 3kni n LEU 60 Ca -0.04 1.24 0.15 0.00 -0.03 0.00 0.00 56.01 57.32 3kni n LEU 60 Cb 0.36 -0.35 0.70 0.00 -2.33 0.00 0.00 43.42 41.80 3kni n LEU 60 CO 0.06 -0.84 1.13 -0.07 -1.33 0.00 0.00 177.39 176.34 3kni h LEU 61 N 0.00 0.00 0.34 2.23 3.38 -1.04 1.03 115.31 121.25 3kni h LEU 61 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kni h LEU 61 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kni h LEU 61 CO -0.38 0.00 -0.16 0.74 0.09 0.00 0.00 178.44 178.73 3kni h THR 62 N 0.00 0.61 -0.76 0.22 2.02 0.32 -1.49 112.91 113.83 3kni h THR 62 Ca 0.12 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3kni h THR 62 Cb 0.48 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3kni h THR 62 CO -0.00 0.11 0.42 0.58 0.37 0.00 0.00 175.52 176.99 3kni h VAL 63 N -0.82 1.23 0.20 3.16 2.07 0.20 -1.29 116.25 121.00 3kni h VAL 63 Ca -0.05 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3kni h VAL 63 Cb 0.52 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3kni h VAL 63 CO 0.08 0.25 -0.49 0.25 0.02 0.00 0.00 177.57 177.67 3kni h LEU 64 N 1.06 -1.45 -0.42 2.57 6.46 0.11 -1.39 115.31 122.25 3kni h LEU 64 Ca 0.27 0.15 0.09 0.00 -0.12 0.00 0.00 57.88 58.26 3kni h LEU 64 Cb 0.02 0.53 -0.09 0.00 -0.73 0.00 0.00 40.66 40.39 3kni h LEU 64 CO -0.04 -0.57 -0.17 -1.13 -0.62 0.00 0.00 178.44 175.91 3kni h ASN 65 N -0.78 -0.58 -0.77 1.25 -1.24 -0.64 0.19 115.58 113.00 3kni h ASN 65 Ca -0.01 0.15 0.20 0.00 0.71 0.00 0.00 56.30 57.35 3kni h ASN 65 Cb 0.77 0.33 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 3kni h ASN 65 CO -0.23 -0.20 0.54 1.05 -1.29 0.00 0.00 177.43 177.30 3kni h GLU 66 N -0.08 0.14 -0.19 6.67 4.11 -0.67 0.65 114.58 125.21 3kni h GLU 66 Ca 0.21 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.54 3kni h GLU 66 Cb 0.40 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kni h GLU 66 CO -0.48 0.10 -0.20 0.87 0.07 0.00 0.00 179.01 179.37 3kni h LYS 67 N 0.15 0.48 -4.63 1.06 1.79 0.42 -3.34 116.57 112.50 3kni h LYS 67 Ca 0.38 -0.26 -0.71 0.00 -2.18 0.00 0.00 60.65 57.88 3kni h LYS 67 Cb 1.27 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.83 3kni h LYS 67 CO -0.06 0.83 2.29 0.54 -1.08 0.00 0.00 179.45 181.98 3kni n ARG 68 N -4.45 3.21 0.00 3.15 1.74 0.23 -3.36 116.66 117.18 3kni n ARG 68 Ca -0.05 -3.23 0.00 0.00 -0.77 0.00 0.00 57.85 53.79 3kni n ARG 68 Cb 0.41 -3.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 3kni n ARG 68 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kni n ARG 69 N 6.30 0.10 -0.72 5.56 1.74 -1.24 -4.87 116.66 123.54 3kni n ARG 69 Ca 0.46 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.57 3kni n ARG 69 Cb 0.41 -0.14 0.04 0.00 -1.02 0.00 0.00 32.46 31.75 3kni n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kni n GLN 70 N -0.47 0.29 -0.00 5.56 0.00 -1.21 -4.61 117.38 116.94 3kni n GLN 70 Ca 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 57.00 55.39 3kni n GLN 70 Cb 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 30.24 29.60 3kni n GLN 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3kni n ASN 71 N -0.15 0.62 0.00 2.61 3.02 -1.25 -5.18 115.26 114.93 3kni n ASN 71 Ca 0.05 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 3kni n ASN 71 Cb 0.81 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 41.02 3kni n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64