#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno h LEU 3 N 0.00 0.27 -0.49 3.14 6.46 -2.07 0.36 115.31 122.97 3kno h LEU 3 Ca 0.00 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3kno h LEU 3 Cb 0.00 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 3kno h LEU 3 CO 0.00 0.01 0.12 -1.28 -0.62 0.00 0.00 178.44 176.67 3kno h SER 4 N 0.39 0.75 0.06 1.25 0.87 -2.06 -1.93 113.55 112.88 3kno h SER 4 Ca 0.51 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3kno h SER 4 Cb 0.92 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3kno h SER 4 CO -0.51 0.79 0.00 -0.62 -0.53 0.00 0.00 176.83 175.96 3kno n GLU 5 N -4.46 0.01 0.05 2.24 1.02 0.08 -2.28 120.64 117.30 3kno n GLU 5 Ca 0.01 0.48 -0.03 0.00 -0.02 0.00 0.00 57.16 57.61 3kno n GLU 5 Cb 0.22 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 3kno n GLU 5 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kno h VAL 6 N 0.00 0.00 -1.21 2.62 2.07 -0.94 -2.52 116.25 116.27 3kno h VAL 6 Ca 0.00 -0.50 0.35 0.00 0.82 0.00 0.00 66.70 67.37 3kno h VAL 6 Cb 0.03 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.74 3kno h VAL 6 CO 0.00 0.00 0.86 0.08 0.02 0.00 0.00 177.57 178.53 3kno h ARG 7 N -0.70 0.04 -0.39 1.57 0.11 -1.53 1.32 114.38 114.80 3kno h ARG 7 Ca -0.02 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.09 3kno h ARG 7 Cb 0.15 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.19 3kno h ARG 7 CO 0.03 0.02 0.18 0.87 0.10 0.00 0.00 179.97 181.18 3kno h LYS 8 N 0.04 0.36 -0.42 0.08 1.57 -1.35 0.48 116.57 117.33 3kno h LYS 8 Ca 0.59 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.32 3kno h LYS 8 Cb 2.27 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.48 3kno h LYS 8 CO -0.04 0.24 0.15 1.96 -0.57 0.00 0.00 179.45 181.19 3kno h GLN 9 N 0.37 0.64 0.46 3.15 4.20 0.22 -1.31 115.11 122.84 3kno h GLN 9 Ca 0.17 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3kno h GLN 9 Cb 0.09 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kno h GLN 9 CO -0.13 0.62 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.36 3kno h LEU 10 N 0.54 -0.52 -0.99 1.46 3.38 -0.71 2.76 115.31 121.23 3kno h LEU 10 Ca 0.14 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.42 3kno h LEU 10 Cb 0.23 0.13 -0.18 0.00 0.09 0.00 0.00 40.66 40.93 3kno h LEU 10 CO -0.01 -0.34 0.12 -0.33 0.09 0.00 0.00 178.44 177.98 3kno h GLU 11 N -0.68 0.02 0.00 1.13 4.39 -0.12 0.51 114.58 119.82 3kno h GLU 11 Ca -0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3kno h GLU 11 Cb 0.47 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3kno h GLU 11 CO 0.10 0.01 0.00 0.39 -1.16 0.00 0.00 179.01 178.35 3kno n GLU 12 N -5.44 0.00 -0.22 2.33 -0.58 -0.49 -3.73 120.64 112.51 3kno n GLU 12 Ca 0.25 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.96 3kno n GLU 12 Cb 0.84 -0.49 -0.03 0.00 -0.57 0.00 0.00 31.44 31.19 3kno n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kno n ALA 13 N -1.91 -0.24 -0.69 0.62 0.00 0.92 -2.16 120.51 117.04 3kno n ALA 13 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3kno n ALA 13 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3kno n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kno n ARG 14 N -4.71 0.00 -0.58 0.00 5.12 0.18 -1.15 116.66 115.51 3kno n ARG 14 Ca 0.03 0.16 -0.17 0.00 -1.93 0.00 0.00 57.85 55.94 3kno n ARG 14 Cb 0.17 -0.51 -0.02 0.00 -1.16 0.00 0.00 32.46 30.94 3kno n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3kno n LYS 15 N -0.40 1.61 -2.36 5.56 -0.00 -0.92 -4.25 118.16 117.41 3kno n LYS 15 Ca 0.00 -1.19 0.01 0.00 -0.00 0.00 0.00 58.31 57.13 3kno n LYS 15 Cb 0.00 -2.30 0.04 0.00 -0.00 0.00 0.00 35.03 32.77 3kno n LYS 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3kno n LEU 16 N 4.19 1.34 -1.38 -5.58 4.77 -0.30 -4.99 117.00 115.05 3kno n LEU 16 Ca 0.34 -2.66 0.16 0.00 -0.03 0.00 0.00 56.01 53.83 3kno n LEU 16 Cb 0.14 0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3kno n LEU 16 CO 0.61 0.85 -0.57 -0.24 -1.33 0.00 0.00 177.39 176.71 3kno n SER 17 N -0.21 -7.33 -0.05 -1.43 2.88 -1.26 -3.86 113.62 102.36 3kno n SER 17 Ca 0.06 1.29 -0.03 0.00 -1.33 0.00 0.00 58.87 58.87 3kno n SER 17 Cb 0.92 -4.70 -0.01 0.00 -0.75 0.00 0.00 64.21 59.68 3kno n SER 17 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kno h PRO 18 N -1.41 0.00 -0.46 -1.46 0.13 -1.94 -3.04 132.00 123.81 3kno h PRO 18 Ca -0.17 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.05 3kno h PRO 18 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3kno h PRO 18 CO 0.07 0.00 0.32 0.28 -0.23 0.00 0.00 178.00 178.43 3kno h VAL 19 N -0.87 0.88 -0.47 1.56 2.07 -2.00 0.12 116.25 117.55 3kno h VAL 19 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3kno h VAL 19 Cb 0.29 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kno h VAL 19 CO 0.00 0.04 0.27 -0.08 0.02 0.00 0.00 177.57 177.82 3kno h GLU 20 N 0.24 0.66 0.62 1.57 4.57 -1.79 -3.10 114.58 117.35 3kno h GLU 20 Ca 0.21 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3kno h GLU 20 Cb 0.53 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kno h GLU 20 CO -0.04 0.51 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.77 3kno h LEU 21 N 0.63 -1.20 -0.60 1.64 3.38 -0.65 -3.02 115.31 115.49 3kno h LEU 21 Ca 0.17 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3kno h LEU 21 Cb 0.04 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 3kno h LEU 21 CO -0.03 -0.66 -0.36 -0.62 0.09 0.00 0.00 178.44 176.87 3kno n GLU 22 N -5.28 -0.27 -0.33 1.13 1.02 -0.88 0.52 120.64 116.55 3kno n GLU 22 Ca -0.13 1.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.96 3kno n GLU 22 Cb 0.45 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 3kno n GLU 22 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3kno h LYS 23 N 0.00 -0.11 -0.33 3.49 1.57 -1.47 1.00 116.57 120.71 3kno h LYS 23 Ca 0.10 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3kno h LYS 23 Cb 0.25 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 3kno h LYS 23 CO -0.57 -0.07 0.04 1.25 -0.57 0.00 0.00 179.45 179.53 3kno h LEU 24 N -0.11 -0.05 0.73 2.94 5.85 0.20 0.76 115.31 125.62 3kno h LEU 24 Ca 0.16 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3kno h LEU 24 Cb 0.48 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3kno h LEU 24 CO -0.84 0.01 -0.47 0.58 -0.34 0.00 0.00 178.44 177.37 3kno h VAL 25 N 0.14 0.00 -0.99 1.05 2.07 0.25 0.99 116.25 119.77 3kno h VAL 25 Ca 0.16 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.87 3kno h VAL 25 Cb 0.20 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.78 3kno h VAL 25 CO -0.23 0.00 -0.27 -0.09 0.02 0.00 0.00 177.57 177.00 3kno h ARG 26 N -1.13 -0.00 0.38 1.57 2.43 0.12 1.01 114.38 118.75 3kno h ARG 26 Ca -0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3kno h ARG 26 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3kno h ARG 26 CO 0.08 -0.00 -0.18 0.93 -1.51 0.00 0.00 179.97 179.29 3kno h GLU 27 N -0.00 -0.49 -1.05 0.20 5.08 -0.20 -1.46 114.58 116.66 3kno h GLU 27 Ca 0.46 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 59.16 3kno h GLU 27 Cb 0.71 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3kno h GLU 27 CO -1.02 -0.28 0.76 0.87 -1.00 0.00 0.00 179.01 178.34 3kno h LYS 28 N -0.57 0.00 0.15 2.33 1.79 0.81 -1.04 116.57 120.04 3kno h LYS 28 Ca -0.05 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3kno h LYS 28 Cb 0.43 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3kno h LYS 28 CO 0.08 0.00 -0.07 0.87 -1.08 0.00 0.00 179.45 179.26 3kno h LYS 29 N 0.00 -0.19 -0.22 3.15 1.79 0.14 -2.46 116.57 118.78 3kno h LYS 29 Ca 0.50 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 59.03 3kno h LYS 29 Cb 2.00 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.69 3kno h LYS 29 CO -0.01 0.25 0.16 0.07 -1.08 0.00 0.00 179.45 178.84 3kno h ARG 30 N -0.76 0.06 -0.56 3.15 0.11 -0.54 1.28 114.38 117.13 3kno h ARG 30 Ca -0.02 -0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 3kno h ARG 30 Cb 0.53 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.57 3kno h ARG 30 CO 0.03 0.04 0.12 0.93 0.10 0.00 0.00 179.97 181.19 3kno h GLU 31 N 0.06 0.87 0.57 0.08 5.08 -1.18 0.51 114.58 120.56 3kno h GLU 31 Ca 0.10 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3kno h GLU 31 Cb 0.33 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3kno h GLU 31 CO -0.01 0.79 -0.27 1.25 -1.00 0.00 0.00 179.01 179.77 3kno h LEU 32 N 0.83 -0.65 -0.93 1.33 6.46 0.20 -1.24 115.31 121.31 3kno h LEU 32 Ca 0.18 0.02 0.25 0.00 -0.12 0.00 0.00 57.88 58.22 3kno h LEU 32 Cb 0.33 0.17 -0.14 0.00 -0.73 0.00 0.00 40.66 40.29 3kno h LEU 32 CO 0.00 -0.45 0.41 -0.03 -0.62 0.00 0.00 178.44 177.75 3kno h MET 33 N -0.78 0.33 -0.41 1.25 4.05 -0.67 0.22 114.93 118.91 3kno h MET 33 Ca -0.08 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3kno h MET 33 Cb 0.59 -0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.22 3kno h MET 33 CO 0.13 0.22 -0.30 1.49 0.23 0.00 0.00 176.91 178.68 3kno h GLU 34 N 0.34 -0.22 -0.45 0.39 4.57 0.63 0.01 114.58 119.86 3kno h GLU 34 Ca 0.61 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.72 3kno h GLU 34 Cb 1.26 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 3kno h GLU 34 CO -0.58 -0.14 -0.05 -0.07 -1.18 0.00 0.00 179.01 176.98 3kno h LEU 35 N -0.22 0.82 -0.69 1.64 3.38 0.50 -1.07 115.31 119.66 3kno h LEU 35 Ca 0.18 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.97 3kno h LEU 35 Cb 0.52 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 3kno h LEU 35 CO -0.54 0.96 0.05 0.03 0.09 0.00 0.00 178.44 179.04 3kno h ARG 36 N 0.66 0.15 -0.10 1.13 3.08 0.47 0.88 114.38 120.66 3kno h ARG 36 Ca 0.12 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3kno h ARG 36 Cb 0.57 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kno h ARG 36 CO 0.03 0.10 -0.06 0.74 -1.07 0.00 0.00 179.97 179.71 3kno h PHE 37 N 0.16 0.26 -0.75 3.04 -1.00 -0.80 0.32 116.94 118.16 3kno h PHE 37 Ca 0.38 -0.07 0.13 0.00 2.81 0.00 0.00 57.97 61.22 3kno h PHE 37 Cb 0.64 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 3kno h PHE 37 CO -0.35 0.59 0.50 1.96 -1.61 0.00 0.00 178.31 179.40 3kno h GLN 38 N -0.15 0.51 0.00 1.51 4.20 0.41 0.64 115.11 122.22 3kno h GLN 38 Ca 0.02 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3kno h GLN 38 Cb 0.53 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3kno h GLN 38 CO 0.02 0.33 -0.81 0.00 -0.67 0.00 0.00 178.83 177.70 3kno h ALA 39 N 1.64 0.66 -0.84 3.87 0.00 0.88 -3.31 119.26 122.15 3kno h ALA 39 Ca 0.36 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kno h ALA 39 Cb 0.69 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3kno h ALA 39 CO -0.13 0.70 0.44 0.66 0.00 0.00 0.00 179.25 180.92 3kno h SER 40 N 0.00 1.07 0.00 0.00 4.64 0.20 0.78 113.55 120.24 3kno h SER 40 Ca -0.05 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3kno h SER 40 Cb 1.44 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kno h SER 40 CO 0.06 0.88 0.00 2.30 -0.87 0.00 0.00 176.83 179.20 3kno n ILE 41 N -4.35 0.00 0.00 0.95 -5.35 -0.96 -4.83 119.36 104.82 3kno n ILE 41 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3kno n ILE 41 Cb 0.11 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 3kno n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kno n GLY 42 N 0.19 0.28 3.51 3.28 0.00 0.27 -4.65 105.19 108.08 3kno n GLY 42 Ca 0.08 0.77 -0.32 0.00 0.00 0.00 0.00 46.02 46.55 3kno n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kno n GLN 43 N 0.00 0.20 0.00 1.61 -0.06 -1.26 -3.90 117.38 113.97 3kno n GLN 43 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 57.00 54.92 3kno n GLN 43 Cb 0.00 -1.84 0.00 0.00 -4.06 0.00 0.00 30.24 24.34 3kno n GLN 43 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3kno n LEU 44 N 10.57 0.00 0.00 1.69 4.77 -1.26 -4.97 117.00 127.80 3kno n LEU 44 Ca 0.61 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3kno n LEU 44 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kno n LEU 44 CO 0.92 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.74 3kno n SER 45 N 0.00 0.00 -3.82 -1.43 2.88 -1.25 -3.83 113.62 106.17 3kno n SER 45 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3kno n SER 45 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 3kno n SER 45 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kno n GLN 46 N -0.47 1.90 0.00 -1.46 1.13 -1.26 -5.05 117.38 112.17 3kno n GLN 46 Ca 0.00 -4.49 0.00 0.00 -1.94 0.00 0.00 57.00 50.57 3kno n GLN 46 Cb 0.00 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.08 3kno n GLN 46 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kno n ASN 47 N 1.80 0.00 -0.59 1.08 3.02 -1.26 -0.99 115.26 118.32 3kno n ASN 47 Ca 0.22 0.00 0.44 0.00 -0.03 0.00 0.00 54.58 55.21 3kno n ASN 47 Cb 0.36 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.21 3kno n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kno n HIS 48 N 0.00 0.00 -0.32 3.10 1.44 -1.26 0.15 115.22 118.33 3kno n HIS 48 Ca 0.00 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.89 3kno n HIS 48 Cb 0.00 -0.41 0.37 0.00 0.12 0.00 0.00 29.99 30.07 3kno n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3kno h LYS 49 N 0.00 0.09 0.41 -1.40 1.79 -1.49 0.70 116.57 116.67 3kno h LYS 49 Ca 0.78 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 59.22 3kno h LYS 49 Cb 3.16 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 33.79 3kno h LYS 49 CO -0.01 0.06 -0.20 0.82 -1.08 0.00 0.00 179.45 179.05 3kno h ILE 50 N 0.10 0.00 -0.68 1.86 2.04 0.12 -3.09 117.51 117.86 3kno h ILE 50 Ca 0.65 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 66.34 3kno h ILE 50 Cb 1.44 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3kno h ILE 50 CO -0.78 0.00 0.45 0.08 0.00 0.00 0.00 178.15 177.90 3kno h ARG 51 N -0.78 0.68 -0.75 2.37 0.11 -1.51 -0.40 114.38 114.10 3kno h ARG 51 Ca -0.06 -0.04 0.16 0.00 0.10 0.00 0.00 59.98 60.14 3kno h ARG 51 Cb 0.42 -0.15 -0.05 0.00 1.11 0.00 0.00 29.97 31.30 3kno h ARG 51 CO 0.09 0.45 0.51 -0.44 0.10 0.00 0.00 179.97 180.68 3kno h ASP 52 N 0.70 0.35 0.00 0.08 5.19 0.33 -0.76 116.42 122.32 3kno h ASP 52 Ca 0.29 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 3kno h ASP 52 Cb 0.25 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 3kno h ASP 52 CO -0.09 0.18 -0.18 0.25 -3.12 0.00 0.00 179.24 176.28 3kno h LEU 53 N 0.37 0.00 -0.58 1.55 6.46 -1.04 -2.67 115.31 119.40 3kno h LEU 53 Ca 0.37 -0.09 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 3kno h LEU 53 Cb 0.91 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 3kno h LEU 53 CO -0.11 0.64 -0.28 0.29 -0.62 0.00 0.00 178.44 178.35 3kno n LYS 54 N -4.71 -0.20 -0.11 1.25 5.02 -0.51 0.17 118.16 119.07 3kno n LYS 54 Ca -0.04 0.89 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 3kno n LYS 54 Cb 0.13 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3kno n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kno h ARG 55 N 0.00 0.61 -0.90 1.97 3.08 -1.32 -2.26 114.38 115.56 3kno h ARG 55 Ca 0.15 -0.23 0.24 0.00 0.07 0.00 0.00 59.98 60.21 3kno h ARG 55 Cb 0.30 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.17 3kno h ARG 55 CO -0.57 0.79 0.30 1.96 -1.07 0.00 0.00 179.97 181.39 3kno h GLN 56 N 0.38 0.24 -0.17 0.04 4.20 0.21 0.20 115.11 120.21 3kno h GLN 56 Ca 0.08 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3kno h GLN 56 Cb 0.57 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3kno h GLN 56 CO 0.03 0.16 -0.03 0.82 -0.67 0.00 0.00 178.83 179.14 3kno h ILE 57 N 0.25 0.85 0.32 2.54 1.08 0.33 -2.28 117.51 120.60 3kno h ILE 57 Ca 0.58 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 65.04 3kno h ILE 57 Cb 1.18 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 3kno h ILE 57 CO -0.63 0.00 -0.38 0.00 -0.69 0.00 0.00 178.15 176.45 3kno h ALA 58 N 1.16 -0.79 -0.85 1.87 0.00 -0.45 -1.97 119.26 118.22 3kno h ALA 58 Ca 0.08 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3kno h ALA 58 Cb 0.11 0.57 -0.16 0.00 0.00 0.00 0.00 17.79 18.31 3kno h ALA 58 CO -0.16 -0.99 -0.23 0.00 0.00 0.00 0.00 179.25 177.87 3kno h ARG 59 N -0.74 -0.01 -0.88 0.00 3.08 -1.04 0.89 114.38 115.68 3kno h ARG 59 Ca -0.02 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3kno h ARG 59 Cb 0.69 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 3kno h ARG 59 CO -0.10 -0.01 0.55 -0.07 -1.07 0.00 0.00 179.97 179.27 3kno h LEU 60 N -0.01 0.87 0.03 3.04 3.38 -0.81 -2.38 115.31 119.44 3kno h LEU 60 Ca 0.40 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 3kno h LEU 60 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kno h LEU 60 CO -0.88 0.56 -0.01 -0.07 0.09 0.00 0.00 178.44 178.13 3kno h LEU 61 N 1.01 -0.03 -0.95 1.67 3.38 0.28 -0.27 115.31 120.39 3kno h LEU 61 Ca 0.38 -0.65 0.36 0.00 0.09 0.00 0.00 57.88 58.06 3kno h LEU 61 Cb 0.16 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 40.74 3kno h LEU 61 CO -0.17 0.67 0.37 0.41 0.09 0.00 0.00 178.44 179.81 3kno n THR 62 N -4.77 -0.40 -0.04 0.22 -1.04 0.27 0.11 114.28 108.63 3kno n THR 62 Ca -0.09 1.98 -0.13 0.00 -2.04 0.00 0.00 64.05 63.78 3kno n THR 62 Cb 0.34 -3.12 -0.11 0.00 -1.82 0.00 0.00 70.33 65.62 3kno n THR 62 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3kno h VAL 63 N 0.00 1.47 -0.97 12.58 2.07 -1.42 -3.05 116.25 126.94 3kno h VAL 63 Ca 0.74 -1.81 0.34 0.00 0.82 0.00 0.00 66.70 66.79 3kno h VAL 63 Cb 1.87 2.64 -0.18 0.00 -1.52 0.00 0.00 31.29 34.10 3kno h VAL 63 CO -0.78 0.45 0.27 -0.11 0.02 0.00 0.00 177.57 177.41 3kno n LEU 64 N -4.72 0.11 -0.08 2.57 -0.00 0.29 0.99 117.00 116.15 3kno n LEU 64 Ca -0.09 1.63 -0.12 0.00 -0.00 0.00 0.00 56.01 57.43 3kno n LEU 64 Cb 0.37 -0.69 -0.05 0.00 -0.00 0.00 0.00 43.42 43.04 3kno n LEU 64 CO 0.31 -1.74 0.68 0.78 -0.00 0.00 0.00 177.39 177.42 3kno h ASN 65 N 0.00 0.48 -0.94 1.96 4.21 -0.75 -2.71 115.58 117.83 3kno h ASN 65 Ca 0.70 -0.39 0.27 0.00 1.21 0.00 0.00 56.30 58.09 3kno h ASN 65 Cb 1.69 -0.13 -0.14 0.00 -1.12 0.00 0.00 38.32 38.61 3kno h ASN 65 CO -0.83 0.76 0.39 -0.33 -1.29 0.00 0.00 177.43 176.13 3kno h GLU 66 N 0.19 0.27 -0.31 0.81 5.08 0.74 0.78 114.58 122.15 3kno h GLU 66 Ca 0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3kno h GLU 66 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3kno h GLU 66 CO 0.03 0.18 0.12 0.87 -1.00 0.00 0.00 179.01 179.20 3kno h LYS 67 N 0.28 0.47 0.00 2.33 1.79 -1.19 -3.34 116.57 116.90 3kno h LYS 67 Ca 0.63 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 3kno h LYS 67 Cb 1.35 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 3kno h LYS 67 CO -0.63 0.49 0.00 0.54 -1.08 0.00 0.00 179.45 178.77 3kno n ARG 68 N -4.72 0.00 -1.67 3.15 5.12 0.27 -3.47 116.66 115.33 3kno n ARG 68 Ca -0.02 0.04 -0.43 0.00 -1.93 0.00 0.00 57.85 55.51 3kno n ARG 68 Cb 0.14 -0.58 -0.03 0.00 -1.16 0.00 0.00 32.46 30.83 3kno n ARG 68 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3kno n ARG 69 N -0.12 2.72 0.00 5.56 1.85 -0.97 0.14 116.66 125.84 3kno n ARG 69 Ca 0.00 0.99 0.00 0.00 -1.00 0.00 0.00 57.85 57.84 3kno n ARG 69 Cb 0.00 -2.91 0.00 0.00 -1.05 0.00 0.00 32.46 28.50 3kno n ARG 69 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kno n GLN 70 N 6.58 0.00 0.00 2.89 10.64 -1.26 -4.71 117.38 131.52 3kno n GLN 70 Ca 0.20 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 3kno n GLN 70 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.75 3kno n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kno n ASN 71 N 0.00 0.00 -0.02 2.61 3.02 0.53 -5.10 115.26 116.31 3kno n ASN 71 Ca 0.00 -0.27 0.16 0.00 -0.03 0.00 0.00 54.58 54.44 3kno n ASN 71 Cb 0.00 0.00 0.94 0.00 -0.61 0.00 0.00 39.78 40.11 3kno n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64