#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klo s ALA 2 N 0.00 2.65 0.06 0.55 0.00 -1.26 -5.11 121.76 118.65 2klo s ALA 2 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 2klo s ALA 2 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2klo s ALA 2 CO 0.00 -1.64 0.35 0.00 0.00 0.00 0.00 175.76 174.47 2klo s ALA 3 N -3.54 -0.80 -0.46 0.00 0.00 -1.26 -5.13 121.76 110.57 2klo s ALA 3 Ca 0.62 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.71 2klo s ALA 3 Cb -0.11 0.39 0.23 0.00 0.00 0.00 0.00 23.12 23.63 2klo s ALA 3 CO 0.49 -0.47 0.72 0.43 0.00 0.00 0.00 175.76 176.94 2klo n SER 4 N 0.40 -1.93 -4.80 0.00 7.64 -1.26 -5.15 113.62 108.53 2klo n SER 4 Ca -0.18 -3.00 -0.33 0.00 1.01 0.00 0.00 58.87 56.37 2klo n SER 4 Cb 0.60 0.93 0.01 0.00 -1.01 0.00 0.00 64.21 64.75 2klo n SER 4 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2klo s PRO 5 N 0.15 3.25 0.59 1.43 0.04 -1.26 -5.06 135.00 134.14 2klo s PRO 5 Ca 0.33 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 2klo s PRO 5 Cb 0.16 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 2klo s PRO 5 CO -0.18 -0.87 0.92 -1.54 0.04 0.00 0.00 177.00 175.37 2klo s SER 6 N -2.69 5.77 -0.09 6.66 1.04 -1.26 -5.11 113.70 118.01 2klo s SER 6 Ca 0.64 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.85 2klo s SER 6 Cb -0.17 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 64.05 2klo s SER 6 CO 0.37 -0.99 0.30 0.00 0.98 0.00 0.00 173.24 173.90 2klo s ALA 7 N -3.01 -0.75 0.04 5.32 0.00 -1.26 -5.17 121.76 116.92 2klo s ALA 7 Ca 0.53 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 2klo s ALA 7 Cb -0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2klo s ALA 7 CO 0.47 -0.17 -0.04 -0.51 0.00 0.00 0.00 175.76 175.51 2klo s LEU 8 N -0.20 2.34 0.08 0.00 1.43 -1.26 -5.18 118.68 115.89 2klo s LEU 8 Ca -0.03 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 2klo s LEU 8 Cb -0.03 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 2klo s LEU 8 CO 0.01 -0.40 0.02 -0.54 0.23 0.00 0.00 176.35 175.67 2klo s LYS 9 N -2.43 0.75 0.00 1.70 3.01 -1.26 -5.17 119.74 116.33 2klo s LYS 9 Ca -0.06 -1.28 0.00 0.00 -1.01 0.00 0.00 55.97 53.62 2klo s LYS 9 Cb -0.03 0.23 0.00 0.00 -1.01 0.00 0.00 37.83 37.02 2klo s LYS 9 CO -0.04 -0.18 0.00 0.41 0.51 0.00 0.00 175.35 176.05 2klo n GLY 10 N 0.02 2.01 3.30 -3.33 0.00 -1.26 -5.15 105.19 100.78 2klo n GLY 10 Ca -0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2klo n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klo s VAL 11 N -2.00 -0.69 -2.03 1.61 0.11 -1.26 -5.05 120.40 111.09 2klo s VAL 11 Ca 0.00 0.14 0.14 0.00 -2.93 0.00 0.00 61.98 59.33 2klo s VAL 11 Cb 0.00 -0.71 0.38 0.00 -1.53 0.00 0.00 36.38 34.52 2klo s VAL 11 CO 0.00 0.06 1.33 -0.24 -3.33 0.00 0.00 175.10 172.92 2klo n SER 12 N 5.40 2.23 -0.10 3.54 2.88 -1.26 -4.58 113.62 121.73 2klo n SER 12 Ca -0.09 -1.98 -0.07 0.00 -1.33 0.00 0.00 58.87 55.40 2klo n SER 12 Cb 0.49 -0.27 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 2klo n SER 12 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2klo h GLN 13 N 2.48 -0.21 0.00 -1.46 1.08 -1.99 0.19 115.11 115.20 2klo h GLN 13 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2klo h GLN 13 Cb 0.57 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2klo h GLN 13 CO 0.00 -0.14 0.00 0.00 -0.95 0.00 0.00 178.83 177.74 2klo n ALA 14 N -2.93 1.55 -0.06 3.87 0.00 -1.26 -2.15 120.51 119.53 2klo n ALA 14 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2klo n ALA 14 Cb 0.32 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 2klo n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2klo n LEU 15 N -1.64 2.79 0.32 0.00 7.99 -0.06 -4.34 117.00 122.05 2klo n LEU 15 Ca 0.03 0.06 0.19 0.00 -0.01 0.00 0.00 56.01 56.28 2klo n LEU 15 Cb 0.15 -1.03 1.07 0.00 -0.11 0.00 0.00 43.42 43.50 2klo n LEU 15 CO 0.12 0.89 1.16 -0.07 -1.51 0.00 0.00 177.39 177.98 2klo h LEU 16 N 0.03 0.00 -2.77 2.23 3.38 -0.20 -1.20 115.31 116.77 2klo h LEU 16 Ca -0.49 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2klo h LEU 16 Cb 1.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 2klo h LEU 16 CO 0.01 0.00 -0.00 1.05 0.09 0.00 0.00 178.44 179.58 2klo h GLU 17 N 0.00 0.00 0.28 1.13 4.11 -1.73 -0.31 114.58 118.06 2klo h GLU 17 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2klo h GLU 17 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2klo h GLU 17 CO -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 179.01 178.95 2klo h ARG 18 N 0.00 -0.36 -0.22 1.06 -0.00 -1.50 -3.23 114.38 110.13 2klo h ARG 18 Ca -0.00 0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.55 2klo h ARG 18 Cb 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 2klo h ARG 18 CO 0.00 -0.01 0.15 0.82 0.00 0.00 0.00 179.97 180.93 2klo h ILE 19 N -0.83 0.94 -0.62 2.04 2.04 -1.26 -2.20 117.51 117.62 2klo h ILE 19 Ca -0.04 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.95 2klo h ILE 19 Cb 0.51 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2klo h ILE 19 CO 0.06 0.02 0.43 -0.09 0.00 0.00 0.00 178.15 178.57 2klo h ARG 20 N 0.09 0.14 -0.00 2.37 1.12 -1.18 0.31 114.38 117.21 2klo h ARG 20 Ca 0.10 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.78 2klo h ARG 20 Cb 0.28 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2klo h ARG 20 CO -0.01 0.09 -0.80 0.00 -3.11 0.00 0.00 179.97 176.14 2klo h ALA 21 N 1.70 0.65 0.00 2.80 0.00 -1.53 -3.24 119.26 119.63 2klo h ALA 21 Ca 0.30 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2klo h ALA 21 Cb 0.98 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2klo h ALA 21 CO -0.04 0.94 -0.00 0.87 0.00 0.00 0.00 179.25 181.01 2klo h LYS 22 N 0.05 0.00 0.00 0.00 1.57 -1.06 -2.13 116.57 115.00 2klo h LYS 22 Ca -0.02 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 2klo h LYS 22 Cb 1.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 2klo h LYS 22 CO 0.11 0.00 -1.55 1.05 -0.57 0.00 0.00 179.45 178.49 2klo h GLU 23 N 0.00 0.00 0.00 3.15 4.11 -1.59 -3.36 114.58 116.89 2klo h GLU 23 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2klo h GLU 23 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2klo h GLU 23 CO 0.00 0.52 -0.01 0.28 0.07 0.00 0.00 179.01 179.88 2klo h VAL 24 N 0.00 0.27 -0.54 -1.06 2.07 -1.47 -3.02 116.25 112.49 2klo h VAL 24 Ca -0.23 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.42 2klo h VAL 24 Cb 1.91 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 2klo h VAL 24 CO 0.08 0.01 0.60 0.06 0.02 0.00 0.00 177.57 178.34 2klo h GLN 25 N 0.00 0.00 -0.90 1.57 3.07 -1.71 -0.88 115.11 116.25 2klo h GLN 25 Ca -0.00 0.00 0.26 0.00 0.09 0.00 0.00 58.65 59.00 2klo h GLN 25 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.55 2klo h GLN 25 CO 0.00 0.00 0.66 1.57 0.09 0.00 0.00 178.83 181.15 2klo h LYS 26 N 0.00 0.00 0.00 0.06 2.10 -1.85 -0.08 116.57 116.80 2klo h LYS 26 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 2klo h LYS 26 Cb 1.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 2klo h LYS 26 CO -0.00 0.00 0.08 1.96 -2.00 0.00 0.00 179.45 179.48 2klo h GLN 27 N 0.00 0.00 -0.14 0.07 1.08 -1.45 -2.55 115.11 112.13 2klo h GLN 27 Ca 0.43 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.60 2klo h GLN 27 Cb 1.73 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.16 2klo h GLN 27 CO -0.00 0.00 -0.01 1.37 -0.95 0.00 0.00 178.83 179.23 2klo h LEU 28 N 0.00 0.25-10.07 1.46 8.10 -1.24 -3.45 115.31 110.36 2klo h LEU 28 Ca 0.00 -0.33 -0.54 0.00 0.11 0.00 0.00 57.88 57.12 2klo h LEU 28 Cb 0.15 -0.07 0.12 0.00 -0.44 0.00 0.00 40.66 40.43 2klo h LEU 28 CO 0.00 0.52 0.52 0.00 -4.11 0.00 0.00 178.44 175.38 2klo s ALA 29 N -4.89 2.64 -0.75 0.17 0.00 -0.96 -4.92 121.76 113.05 2klo s ALA 29 Ca -0.14 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2klo s ALA 29 Cb 0.05 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2klo s ALA 29 CO 0.72 -1.27 1.57 0.50 0.00 0.00 0.00 175.76 177.28 2klo s ARG 30 N -3.14 2.98 0.02 0.00 6.06 -1.26 -4.95 118.95 118.65 2klo s ARG 30 Ca 0.75 -0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.93 2klo s ARG 30 Cb -0.35 -4.49 -0.02 0.00 0.06 0.00 0.00 34.95 30.16 2klo s ARG 30 CO 0.39 -2.48 -0.03 -1.64 -2.50 0.00 0.00 175.30 169.04 2klo s MET 31 N 6.23 0.28 0.00 5.12 -1.94 -1.26 -5.04 119.30 122.68 2klo s MET 31 Ca 0.51 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 2klo s MET 31 Cb -0.08 0.00 0.03 0.00 2.01 0.00 0.00 34.83 36.79 2klo s MET 31 CO 0.12 -0.02 0.43 -2.37 -0.01 0.00 0.00 175.02 173.18 2klo n THR 32 N 1.99 0.00 -3.68 2.05 5.66 -1.26 -3.98 114.28 115.06 2klo n THR 32 Ca -0.20 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.52 2klo n THR 32 Cb 0.56 -0.32 -0.11 0.00 -1.55 0.00 0.00 70.33 68.91 2klo n THR 32 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2klo s ARG 33 N -2.00 1.78 0.15 1.09 3.00 -1.26 -4.64 118.95 117.07 2klo s ARG 33 Ca 0.01 -2.80 0.00 0.00 0.00 0.00 0.00 55.73 52.94 2klo s ARG 33 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 34.95 32.41 2klo s ARG 33 CO 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 175.30 173.98 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -1.87 -2.16 132.00 128.11 2klo h PRO 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2klo h PRO 35 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2klo h PRO 35 CO 0.00 0.34 0.00 0.93 -0.23 0.00 0.00 178.00 179.04 2klo h GLU 36 N 0.00 0.00 0.00 0.86 4.39 -1.92 -2.35 114.58 115.56 2klo h GLU 36 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2klo h GLU 36 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2klo h GLU 36 CO 0.04 0.00 -1.04 1.04 -1.16 0.00 0.00 179.01 177.89 2klo n GLN 37 N -2.45 0.11 0.00 2.33 3.00 -0.81 -4.46 117.38 115.10 2klo n GLN 37 Ca 0.01 -0.02 0.21 0.00 -0.01 0.00 0.00 57.00 57.19 2klo n GLN 37 Cb 0.19 -1.52 0.71 0.00 0.00 0.00 0.00 30.24 29.62 2klo n GLN 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2klo h GLU 38 N 0.00 0.00 -0.19 -1.09 4.11 -1.41 -1.09 114.58 114.91 2klo h GLU 38 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2klo h GLU 38 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2klo h GLU 38 CO 0.00 0.00 0.06 1.37 0.07 0.00 0.00 179.01 180.51 2klo h LEU 39 N 0.00 0.28 0.05 3.06 8.10 -1.78 0.06 115.31 125.08 2klo h LEU 39 Ca 0.25 -0.21 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 2klo h LEU 39 Cb 1.07 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.22 2klo h LEU 39 CO -0.00 0.42 -0.02 0.03 -4.11 0.00 0.00 178.44 174.75 2klo h ARG 40 N 0.13 -0.06 0.18 0.17 -0.00 -1.51 -1.05 114.38 112.24 2klo h ARG 40 Ca 0.06 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.56 2klo h ARG 40 Cb 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.19 2klo h ARG 40 CO -0.00 0.09 -0.34 -0.07 0.00 0.00 0.00 179.97 179.65 2klo h LEU 41 N -0.20 -0.96 -0.34 3.04 3.38 -1.42 -0.49 115.31 118.33 2klo h LEU 41 Ca -0.01 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2klo h LEU 41 Cb 0.18 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2klo h LEU 41 CO 0.01 -0.44 -0.00 -0.61 0.09 0.00 0.00 178.44 177.49 2klo h GLN 42 N -0.61 0.09 -0.50 1.13 -0.00 -0.94 0.93 115.11 115.21 2klo h GLN 42 Ca 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.67 2klo h GLN 42 Cb 0.61 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.04 2klo h GLN 42 CO -0.16 0.06 0.33 0.00 0.00 0.00 0.00 178.83 179.06 2klo h ARG 43 N 0.09 0.65 -0.45 1.69 2.47 -0.87 -2.72 114.38 115.24 2klo h ARG 43 Ca 0.16 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.74 2klo h ARG 43 Cb 0.22 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2klo h ARG 43 CO -0.27 0.43 -0.14 -0.07 0.56 0.00 0.00 179.97 180.47 2klo h LEU 44 N 0.67 0.84 0.00 3.04 3.38 -0.53 -3.05 115.31 119.65 2klo h LEU 44 Ca 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2klo h LEU 44 Cb -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2klo h LEU 44 CO -0.05 0.99 0.00 -0.62 0.09 0.00 0.00 178.44 178.85 2klo n GLU 45 N -4.14 0.21 0.00 1.13 -0.58 0.27 -3.33 120.64 114.20 2klo n GLU 45 Ca 0.01 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 57.00 2klo n GLU 45 Cb 0.39 -1.50 0.52 0.00 -0.57 0.00 0.00 31.44 30.29 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2klo n ARG 46 N -1.29 0.16 -0.22 3.49 1.74 -1.14 -4.12 116.66 115.28 2klo n ARG 46 Ca 0.07 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 57.13 2klo n ARG 46 Cb 0.12 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2klo h LEU 47 N 0.00 -1.86 -1.02 0.55 3.38 -1.81 -0.27 115.31 114.28 2klo h LEU 47 Ca 0.00 0.27 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 2klo h LEU 47 Cb 0.30 0.79 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2klo h LEU 47 CO 0.00 -0.35 -0.43 1.55 0.09 0.00 0.00 178.44 179.30 2klo h PRO 48 N -0.27 0.13 -0.32 1.13 0.13 -1.91 -2.65 132.00 128.24 2klo h PRO 48 Ca 0.12 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.25 2klo h PRO 48 Cb 0.55 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2klo h PRO 48 CO -0.70 0.54 0.22 1.49 -0.23 0.00 0.00 178.00 179.32 2klo h GLU 49 N 0.11 0.14 0.03 0.86 4.57 -1.29 0.18 114.58 119.18 2klo h GLU 49 Ca 0.01 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 57.92 2klo h GLU 49 Cb 0.80 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2klo h GLU 49 CO 0.06 0.09 -1.38 -0.07 -1.18 0.00 0.00 179.01 176.53 2klo h LEU 50 N 0.14 0.11 -0.16 1.64 -0.00 -1.18 -3.33 115.31 112.53 2klo h LEU 50 Ca 0.15 -0.63 0.03 0.00 -0.00 0.00 0.00 57.88 57.43 2klo h LEU 50 Cb 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2klo h LEU 50 CO -0.02 1.56 -0.06 0.00 -0.00 0.00 0.00 178.44 179.92 2klo h ALA 51 N -0.34 0.08 0.51 1.53 0.00 -1.18 -0.70 119.26 119.16 2klo h ALA 51 Ca -0.35 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2klo h ALA 51 Cb 1.47 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2klo h ALA 51 CO -0.13 -0.50 -0.48 0.07 0.00 0.00 0.00 179.25 178.21 2klo h ARG 52 N -0.03 -0.95 -0.57 0.00 0.11 -1.18 -2.18 114.38 109.58 2klo h ARG 52 Ca 0.08 0.07 0.09 0.00 0.10 0.00 0.00 59.98 60.32 2klo h ARG 52 Cb 0.15 0.22 -0.07 0.00 1.11 0.00 0.00 29.97 31.38 2klo h ARG 52 CO -0.18 -0.64 0.19 0.28 0.10 0.00 0.00 179.97 179.73 2klo h VAL 53 N -0.99 0.77 -0.24 0.08 2.07 -1.65 -1.20 116.25 115.08 2klo h VAL 53 Ca -0.06 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2klo h VAL 53 Cb 0.86 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2klo h VAL 53 CO -0.05 0.07 -0.13 0.25 0.02 0.00 0.00 177.57 177.73 2klo h LEU 54 N 0.37 -0.42 -0.23 2.57 5.85 -0.92 0.95 115.31 123.48 2klo h LEU 54 Ca 0.29 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.14 2klo h LEU 54 Cb 0.35 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2klo h LEU 54 CO -0.30 -0.16 0.03 -0.09 -0.34 0.00 0.00 178.44 177.58 2klo h ARG 55 N -0.10 0.12 -0.55 1.25 2.43 -0.71 -2.71 114.38 114.10 2klo h ARG 55 Ca 0.13 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2klo h ARG 55 Cb 0.30 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2klo h ARG 55 CO -0.31 0.08 0.27 -0.91 -1.51 0.00 0.00 179.97 177.59 2klo h ASN 56 N 0.12 0.69 0.02 -3.80 2.35 -0.37 -2.08 115.58 112.51 2klo h ASN 56 Ca 0.10 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 2klo h ASN 56 Cb 0.11 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2klo h ASN 56 CO -0.15 0.59 -0.53 1.62 -1.65 0.00 0.00 177.43 177.31 2klo h VAL 57 N 0.78 1.48 -0.22 2.81 3.04 -0.70 -2.67 116.25 120.76 2klo h VAL 57 Ca 0.19 -2.11 -0.07 0.00 -1.01 0.00 0.00 66.70 63.70 2klo h VAL 57 Cb 0.07 2.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.07 2klo h VAL 57 CO -0.03 0.60 -0.19 -0.26 -1.01 0.00 0.00 177.57 176.69 2klo h PHE 58 N -0.26 0.42 -0.42 3.17 -1.00 -1.43 -0.69 116.94 116.73 2klo h PHE 58 Ca -0.07 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.57 2klo h PHE 58 Cb 1.28 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.71 2klo h PHE 58 CO 0.16 0.56 -0.01 -0.24 -1.61 0.00 0.00 178.31 177.17 2klo h VAL 59 N 0.36 1.26 0.00 -0.55 3.04 -1.41 -2.61 116.25 116.34 2klo h VAL 59 Ca 0.06 -1.05 -0.08 0.00 -1.01 0.00 0.00 66.70 64.62 2klo h VAL 59 Cb 0.54 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 2klo h VAL 59 CO 0.04 0.36 -0.38 -1.28 -1.01 0.00 0.00 177.57 175.29 2klo h SER 60 N 0.57 0.00 0.55 3.17 0.87 -1.14 -2.56 113.55 115.02 2klo h SER 60 Ca 0.12 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2klo h SER 60 Cb 0.51 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2klo h SER 60 CO 0.02 0.38 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.62 2klo h GLU 61 N 0.00 0.00 0.00 2.24 4.57 -0.75 -3.46 114.58 117.18 2klo h GLU 61 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2klo h GLU 61 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2klo h GLU 61 CO 0.05 0.00 0.00 -2.13 -1.18 0.00 0.00 179.01 175.75 2klo n ARG 62 N -3.10 0.00 -3.92 1.92 3.00 -0.96 -4.95 116.66 108.64 2klo n ARG 62 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.49 2klo n ARG 62 Cb 0.20 -3.11 -0.14 0.00 0.00 0.00 0.00 32.46 29.41 2klo n ARG 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2klo s LYS 63 N -0.21 2.75 0.00 -0.14 -2.85 -1.25 -5.00 119.74 113.05 2klo s LYS 63 Ca 0.00 -1.04 0.14 0.00 -1.00 0.00 0.00 55.97 54.07 2klo s LYS 63 Cb 0.00 -3.09 0.69 0.00 -2.06 0.00 0.00 37.83 33.37 2klo s LYS 63 CO 0.00 -0.47 1.41 -0.35 0.10 0.00 0.00 175.35 176.04 2klo n PRO 64 N 4.68 0.15 -4.07 1.78 -0.04 -1.26 -4.62 135.00 131.62 2klo n PRO 64 Ca -0.15 0.18 -0.19 0.00 -0.04 0.00 0.00 63.50 63.30 2klo n PRO 64 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 2klo n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klo s ALA 65 N -2.68 0.52 0.19 0.55 0.00 -1.26 -2.85 121.76 116.22 2klo s ALA 65 Ca 0.12 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.21 2klo s ALA 65 Cb 0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2klo s ALA 65 CO 0.23 -0.03 -0.18 -0.51 0.00 0.00 0.00 175.76 175.27 2klo s LEU 66 N 0.94 2.47 0.68 0.00 1.43 -0.75 -4.95 118.68 118.50 2klo s LEU 66 Ca -0.11 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 51.95 2klo s LEU 66 Cb -0.14 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.23 2klo s LEU 66 CO -0.01 -0.04 1.09 -0.89 0.23 0.00 0.00 176.35 176.73 2klo s THR 67 N -2.23 3.52 0.34 5.49 2.01 -1.26 -0.73 115.64 122.78 2klo s THR 67 Ca 0.19 0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.82 2klo s THR 67 Cb -0.05 -3.16 0.24 0.00 0.01 0.00 0.00 72.50 69.54 2klo s THR 67 CO 0.08 -0.53 1.98 -0.03 -0.69 0.00 0.00 174.62 175.43 2klo h MET 68 N -0.32 0.82 0.19 4.92 4.05 -1.28 0.14 114.93 123.46 2klo h MET 68 Ca -0.45 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 58.89 2klo h MET 68 Cb 1.23 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 2klo h MET 68 CO 0.54 0.58 -0.09 1.49 0.23 0.00 0.00 176.91 179.66 2klo h GLU 69 N 0.83 -0.25 0.60 0.39 4.81 -1.93 -2.20 114.58 116.84 2klo h GLU 69 Ca 0.22 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2klo h GLU 69 Cb -0.02 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2klo h GLU 69 CO -0.04 -0.06 -0.29 0.28 -0.73 0.00 0.00 179.01 178.17 2klo h VAL 70 N -0.39 0.40 -0.29 0.32 2.07 -1.82 -2.57 116.25 113.97 2klo h VAL 70 Ca -0.03 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2klo h VAL 70 Cb 0.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2klo h VAL 70 CO 0.04 0.01 0.20 1.62 0.02 0.00 0.00 177.57 179.46 2klo h VAL 71 N -0.84 0.92 0.72 2.57 3.04 -1.03 -1.11 116.25 120.51 2klo h VAL 71 Ca -0.08 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.53 2klo h VAL 71 Cb 0.63 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2klo h VAL 71 CO 0.14 0.02 -0.35 0.00 -1.01 0.00 0.00 177.57 176.37 2klo h ALA 73 N -1.30 1.01 -0.68 0.00 0.00 -1.20 -1.47 119.26 115.63 2klo h ALA 73 Ca -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2klo h ALA 73 Cb 0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2klo h ALA 73 CO 0.16 -0.09 0.30 0.00 0.00 0.00 0.00 179.25 179.62 2klo h ARG 74 N 0.56 0.98 0.04 0.00 2.47 -1.16 -1.67 114.38 115.60 2klo h ARG 74 Ca 0.37 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2klo h ARG 74 Cb 0.45 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2klo h ARG 74 CO -0.31 0.78 -0.02 0.52 0.56 0.00 0.00 179.97 181.50 2klo h MET 75 N 0.97 -0.05 -0.86 0.04 2.86 -0.00 -2.89 114.93 115.00 2klo h MET 75 Ca 0.23 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2klo h MET 75 Cb 0.14 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2klo h MET 75 CO -0.03 0.61 0.56 -0.24 1.06 0.00 0.00 176.91 178.88 2klo h VAL 76 N -0.81 1.17 0.00 -2.22 3.04 -1.31 -1.09 116.25 115.03 2klo h VAL 76 Ca -0.01 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2klo h VAL 76 Cb 0.68 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2klo h VAL 76 CO 0.01 0.20 0.00 0.44 -1.01 0.00 0.00 177.57 177.21 2klo h ASP 77 N 1.10 0.00 0.59 3.17 5.19 -1.36 -2.69 116.42 122.42 2klo h ASP 77 Ca 0.33 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 2klo h ASP 77 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 2klo h ASP 77 CO -0.09 0.00 -0.09 0.28 -3.12 0.00 0.00 179.24 176.22 2klo h SER 78 N 0.00 0.00 -0.39 6.45 0.02 -0.97 -3.35 113.55 115.31 2klo h SER 78 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2klo h SER 78 Cb 0.20 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.55 2klo h SER 78 CO 0.00 0.09 -0.61 0.00 -1.14 0.00 0.00 176.83 175.17 2klo n GLN 80 N 1.25 1.08 0.30 0.00 -0.00 -1.21 -3.89 117.38 114.91 2klo n GLN 80 Ca 0.11 -0.18 -0.15 0.00 -0.00 0.00 0.00 57.00 56.78 2klo n GLN 80 Cb 0.63 -1.10 -0.08 0.00 -0.00 0.00 0.00 30.24 29.69 2klo n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2klo h THR 81 N 0.07 0.33 0.00 -0.39 1.03 -1.93 -3.44 112.91 108.57 2klo h THR 81 Ca 0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 2klo h THR 81 Cb 1.07 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.58 2klo h THR 81 CO 0.06 0.04 0.00 0.00 -0.01 0.00 0.00 175.52 175.61 2klo n ALA 82 N -2.57 0.00 -2.81 0.00 0.00 -1.26 -5.16 120.51 108.71 2klo n ALA 82 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 2klo n ALA 82 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 2klo n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2klo s LEU 83 N 0.00 4.11 0.54 0.00 1.43 -1.25 -5.09 118.68 118.41 2klo s LEU 83 Ca 0.00 0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 2klo s LEU 83 Cb 0.00 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 2klo s LEU 83 CO 0.00 0.37 1.01 -0.44 0.23 0.00 0.00 176.35 177.51 2klo s SER 84 N -0.78 6.39 0.34 2.29 0.01 -1.26 -4.97 113.70 115.72 2klo s SER 84 Ca 0.13 1.61 0.06 0.00 1.31 0.00 0.00 55.95 59.06 2klo s SER 84 Cb -0.12 -2.51 0.61 0.00 0.21 0.00 0.00 66.02 64.21 2klo s SER 84 CO 0.03 -0.75 1.84 1.55 0.41 0.00 0.00 173.24 176.31 2klo h PRO 85 N 0.69 0.39 -0.13 12.44 0.13 -2.00 -2.90 132.00 140.61 2klo h PRO 85 Ca -0.47 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2klo h PRO 85 Cb 1.19 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2klo h PRO 85 CO 0.61 0.53 0.05 0.78 -0.23 0.00 0.00 178.00 179.74 2klo h GLY 86 N 0.88 0.22 0.78 1.56 0.00 -1.98 -1.48 103.07 103.05 2klo h GLY 86 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2klo h GLY 86 CO 0.03 0.11 -0.01 0.83 0.00 0.00 0.00 176.54 177.50 2klo h GLU 87 N 0.05 -0.03 -0.13 4.80 5.08 -1.94 0.23 114.58 122.65 2klo h GLU 87 Ca 0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2klo h GLU 87 Cb 0.18 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2klo h GLU 87 CO -0.00 0.19 -0.31 1.98 -1.00 0.00 0.00 179.01 179.87 2klo h MET 88 N -0.25 -0.37 -0.44 2.33 4.05 -1.52 -1.65 114.93 117.08 2klo h MET 88 Ca -0.00 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 2klo h MET 88 Cb 0.23 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.07 2klo h MET 88 CO 0.01 -0.24 0.15 1.49 0.23 0.00 0.00 176.91 178.54 2klo h GLU 89 N -0.38 0.30 -0.63 0.39 4.57 -1.15 -0.72 114.58 116.95 2klo h GLU 89 Ca 0.10 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2klo h GLU 89 Cb 0.53 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 2klo h GLU 89 CO -0.35 0.20 0.42 0.87 -1.18 0.00 0.00 179.01 178.97 2klo h LYS 90 N 0.31 0.72 -0.03 1.92 1.79 -0.54 -1.06 116.57 119.68 2klo h LYS 90 Ca 0.21 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.49 2klo h LYS 90 Cb 0.21 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2klo h LYS 90 CO -0.22 0.47 -0.64 1.25 -1.08 0.00 0.00 179.45 179.23 2klo h HIS 91 N 0.74 0.18 0.31 -1.35 2.76 -0.21 -0.73 115.15 116.84 2klo h HIS 91 Ca 0.26 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2klo h HIS 91 Cb 0.10 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2klo h HIS 91 CO -0.00 0.74 -0.15 -0.07 -1.30 0.00 0.00 177.93 177.15 2klo h LEU 92 N 0.10 -0.35 -0.64 0.26 3.38 -0.35 -2.54 115.31 115.17 2klo h LEU 92 Ca -0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2klo h LEU 92 Cb 1.15 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2klo h LEU 92 CO 0.09 0.01 0.23 1.62 0.09 0.00 0.00 178.44 180.49 2klo h VAL 93 N -0.74 1.24 -0.42 1.22 3.04 -1.33 -2.63 116.25 116.63 2klo h VAL 93 Ca -0.04 -0.79 0.08 0.00 -1.01 0.00 0.00 66.70 64.94 2klo h VAL 93 Cb 0.50 0.55 -0.08 0.00 -2.01 0.00 0.00 31.29 30.25 2klo h VAL 93 CO 0.07 0.31 -0.10 0.25 -1.01 0.00 0.00 177.57 177.09 2klo h LEU 94 N 0.91 -0.38 0.04 3.16 5.85 -1.14 0.13 115.31 123.88 2klo h LEU 94 Ca 0.21 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2klo h LEU 94 Cb 0.25 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2klo h LEU 94 CO -0.01 -0.13 -0.03 0.25 -0.34 0.00 0.00 178.44 178.18 2klo h LEU 95 N 0.01 -0.07 -0.77 2.25 5.85 -1.28 -2.75 115.31 118.55 2klo h LEU 95 Ca 0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2klo h LEU 95 Cb 0.31 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2klo h LEU 95 CO -0.43 -0.04 0.41 0.00 -0.34 0.00 0.00 178.44 178.04 2klo h ALA 96 N 0.90 0.99 0.00 1.25 0.00 -1.01 -0.98 119.26 120.41 2klo h ALA 96 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2klo h ALA 96 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2klo h ALA 96 CO -0.00 0.51 -0.12 1.49 0.00 0.00 0.00 179.25 181.13 2klo h GLU 97 N 1.07 0.00 0.00 0.00 4.57 -0.64 -2.66 114.58 116.92 2klo h GLU 97 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2klo h GLU 97 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2klo h GLU 97 CO -0.04 0.12 -0.85 1.28 -1.18 0.00 0.00 179.01 178.34 2klo n LEU 98 N -3.79 0.59 -3.03 1.64 4.77 -1.05 -4.63 117.00 111.50 2klo n LEU 98 Ca -0.02 -0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 55.32 2klo n LEU 98 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2klo n LEU 98 CO 0.31 0.15 -0.04 0.18 -1.33 0.00 0.00 177.39 176.66 2klo n LEU 99 N -1.45 2.67 0.27 2.23 4.77 -0.39 -4.94 117.00 120.15 2klo n LEU 99 Ca 0.02 -5.27 0.15 0.00 -0.03 0.00 0.00 56.01 50.88 2klo n LEU 99 Cb 0.26 0.08 0.70 0.00 -2.33 0.00 0.00 43.42 42.13 2klo n LEU 99 CO 0.30 2.29 0.96 1.55 -1.33 0.00 0.00 177.39 181.16 2klo h PRO 100 N 2.97 0.00 0.00 3.23 0.13 -1.72 -1.49 132.00 135.12 2klo h PRO 100 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2klo h PRO 100 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2klo h PRO 100 CO 0.66 0.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.27 2klo n ASP 101 N -3.31 0.00 -0.03 1.44 8.00 -1.26 -4.10 116.55 117.30 2klo n ASP 101 Ca -0.01 0.32 -0.04 0.00 0.71 0.00 0.00 54.79 55.77 2klo n ASP 101 Cb 0.29 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2klo n TRP 102 N -1.43 0.00 -3.17 1.24 -0.00 -0.64 -4.92 117.44 108.52 2klo n TRP 102 Ca 0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.18 2klo n TRP 102 Cb 0.26 -0.23 -0.06 0.00 -0.00 0.00 0.00 31.31 31.28 2klo n TRP 102 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2klo s LEU 103 N -6.81 4.20 0.04 5.87 1.43 -0.72 -3.34 118.68 119.35 2klo s LEU 103 Ca -0.13 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 2klo s LEU 103 Cb 0.02 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 2klo s LEU 103 CO 0.20 -0.18 -0.15 -0.44 0.23 0.00 0.00 176.35 176.01 2klo s SER 104 N 1.01 1.80 -0.15 2.29 0.01 -0.28 -4.55 113.70 113.82 2klo s SER 104 Ca 0.29 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.02 2klo s SER 104 Cb -0.16 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2klo s SER 104 CO 0.11 0.06 0.08 -0.76 0.41 0.00 0.00 173.24 173.14 2klo s LEU 105 N -1.14 3.99 -0.29 2.44 1.43 -1.26 -0.57 118.68 123.28 2klo s LEU 105 Ca 0.03 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2klo s LEU 105 Cb -0.08 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.25 2klo s LEU 105 CO 0.01 0.28 0.07 -1.00 0.23 0.00 0.00 176.35 175.94 2klo s HIS 106 N -0.27 1.98 -0.20 0.29 3.76 0.03 -4.97 115.29 115.90 2klo s HIS 106 Ca 0.09 -1.81 -0.14 0.00 -0.15 0.00 0.00 55.06 53.05 2klo s HIS 106 Cb -0.12 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 2klo s HIS 106 CO 0.01 -0.85 0.30 0.50 -0.85 0.00 0.00 174.74 173.86 2klo s ARG 107 N 1.52 4.17 0.26 1.40 3.00 -1.26 -0.99 118.95 127.05 2klo s ARG 107 Ca 0.07 0.05 0.10 0.00 -1.00 0.00 0.00 55.73 54.95 2klo s ARG 107 Cb -0.18 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.23 2klo s ARG 107 CO -0.19 0.07 -0.06 0.42 0.00 0.00 0.00 175.30 175.54 2klo s ILE 108 N 0.99 3.19 -1.13 4.11 -1.09 0.42 -5.00 121.20 122.69 2klo s ILE 108 Ca 0.15 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.58 2klo s ILE 108 Cb -0.14 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 2klo s ILE 108 CO 0.06 -0.35 0.92 -2.11 -1.23 0.00 0.00 174.94 172.23 2klo n ARG 109 N -0.71 0.00 -0.03 2.79 1.85 -1.26 -1.89 116.66 117.41 2klo n ARG 109 Ca -0.07 0.42 -0.00 0.00 -1.00 0.00 0.00 57.85 57.20 2klo n ARG 109 Cb 0.59 -1.51 -0.08 0.00 -1.05 0.00 0.00 32.46 30.42 2klo n ARG 109 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2klo n THR 110 N -1.42 0.36 -0.30 8.89 5.66 -1.26 -5.11 114.28 121.10 2klo n THR 110 Ca 0.00 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2klo n THR 110 Cb 0.01 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 2klo n THR 110 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2klo n ASP 111 N -2.13 0.00 -4.70 1.09 -0.08 -0.79 -5.16 116.55 104.77 2klo n ASP 111 Ca -0.09 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.84 2klo n ASP 111 Cb 0.57 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.94 2klo n ASP 111 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2klo s THR 112 N -2.09 4.42 0.15 5.18 2.01 -1.26 -0.44 115.64 123.61 2klo s THR 112 Ca 0.00 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2klo s THR 112 Cb 0.00 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2klo s THR 112 CO 0.00 0.59 0.02 -0.31 -0.69 0.00 0.00 174.62 174.23 2klo s TYR 113 N -0.91 1.05 0.11 4.92 1.51 -0.16 -0.76 117.35 123.10 2klo s TYR 113 Ca 0.14 -1.10 0.07 0.00 -1.01 0.00 0.00 57.07 55.16 2klo s TYR 113 Cb -0.11 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 2klo s TYR 113 CO 0.03 -0.34 -0.17 0.08 -1.11 0.00 0.00 175.55 174.05 2klo s VAL 114 N -3.82 1.45 0.03 0.71 1.01 0.09 -0.79 120.40 119.08 2klo s VAL 114 Ca 0.23 -1.59 0.08 0.00 0.00 0.00 0.00 61.98 60.70 2klo s VAL 114 Cb 0.07 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2klo s VAL 114 CO 0.03 -0.25 -0.24 -0.54 0.00 0.00 0.00 175.10 174.10 2klo s LYS 115 N -2.23 1.70 0.19 2.72 -0.14 0.27 -1.82 119.74 120.43 2klo s LYS 115 Ca 0.06 -0.98 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 2klo s LYS 115 Cb -0.08 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 2klo s LYS 115 CO 0.04 0.47 -0.03 -1.17 -0.76 0.00 0.00 175.35 173.90 2klo s LEU 116 N -1.02 2.25 -0.31 3.17 1.98 -1.13 -1.13 118.68 122.48 2klo s LEU 116 Ca 0.10 -1.15 0.03 0.00 -2.89 0.00 0.00 54.13 50.21 2klo s LEU 116 Cb -0.09 -0.21 0.09 0.00 0.66 0.00 0.00 46.19 46.64 2klo s LEU 116 CO 0.01 -0.49 0.02 -0.62 -1.89 0.00 0.00 176.35 173.38 2klo s ASP 117 N -3.22 4.49 0.00 3.68 -1.08 -1.21 -4.89 116.67 114.44 2klo s ASP 117 Ca 0.24 -1.83 0.15 0.00 -0.52 0.00 0.00 52.55 50.58 2klo s ASP 117 Cb 0.05 -1.45 0.70 0.00 -1.46 0.00 0.00 42.92 40.77 2klo s ASP 117 CO 0.05 -0.34 1.42 0.29 0.52 0.00 0.00 175.17 177.11 2klo n LYS 118 N 4.42 0.14 -0.01 4.34 5.02 -1.26 -3.31 118.16 127.51 2klo n LYS 118 Ca -0.02 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 2klo n LYS 118 Cb 0.42 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2klo n ALA 119 N -1.35 3.10 -1.50 7.82 0.00 -1.26 -5.00 120.51 122.32 2klo n ALA 119 Ca 0.06 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.67 2klo n ALA 119 Cb 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 18.95 2klo n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2klo s VAL 120 N -3.27 3.00 0.32 0.00 1.01 -1.21 -5.00 120.40 115.26 2klo s VAL 120 Ca -0.04 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 2klo s VAL 120 Cb 0.13 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.39 2klo s VAL 120 CO 0.82 -0.27 1.22 1.51 0.00 0.00 0.00 175.10 178.38 2klo s ASP 121 N -2.37 6.90 0.08 3.32 -4.77 -1.26 -4.97 116.67 113.61 2klo s ASP 121 Ca 0.69 2.50 0.19 0.00 -3.30 0.00 0.00 52.55 52.64 2klo s ASP 121 Cb -0.23 -2.64 -0.12 0.00 -1.09 0.00 0.00 42.92 38.84 2klo s ASP 121 CO 0.41 -0.42 0.81 -0.11 0.70 0.00 0.00 175.17 176.55 2klo n LEU 122 N 0.83 0.70 0.15 2.11 -0.00 -1.26 -3.86 117.00 115.67 2klo n LEU 122 Ca 0.00 0.29 -0.14 0.00 -0.00 0.00 0.00 56.01 56.17 2klo n LEU 122 Cb 0.43 0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 2klo n LEU 122 CO 0.56 0.04 0.75 0.00 -0.00 0.00 0.00 177.39 178.74 2klo h ALA 123 N 1.65 -0.39 -0.78 1.96 0.00 -1.99 0.15 119.26 119.86 2klo h ALA 123 Ca -0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2klo h ALA 123 Cb 1.37 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2klo h ALA 123 CO 0.02 -0.74 0.29 0.78 0.00 0.00 0.00 179.25 179.60 2klo h GLY 124 N -0.41 1.28 0.81 0.00 0.00 -2.00 -1.06 103.07 101.69 2klo h GLY 124 Ca -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 2klo h GLY 124 CO -0.02 0.68 0.02 1.41 0.00 0.00 0.00 176.54 178.63 2klo h LEU 125 N 1.15 0.22 -0.57 3.11 3.38 -1.60 -1.97 115.31 119.02 2klo h LEU 125 Ca 0.26 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2klo h LEU 125 Cb 0.25 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2klo h LEU 125 CO -0.02 0.43 0.35 0.74 0.09 0.00 0.00 178.44 180.03 2klo h THR 126 N 0.01 1.06 0.26 0.22 2.02 -0.53 -2.43 112.91 113.52 2klo h THR 126 Ca 0.04 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2klo h THR 126 Cb 0.30 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2klo h THR 126 CO 0.00 0.13 -0.22 0.00 0.37 0.00 0.00 175.52 175.80 2klo h ALA 127 N 1.25 -0.97 -0.99 6.16 0.00 -1.00 -0.92 119.26 122.80 2klo h ALA 127 Ca 0.23 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2klo h ALA 127 Cb 0.02 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 2klo h ALA 127 CO -0.10 -0.97 0.63 0.07 0.00 0.00 0.00 179.25 178.88 2klo h ARG 128 N -0.47 0.97 -0.08 0.00 0.11 -1.40 -0.38 114.38 113.13 2klo h ARG 128 Ca -0.03 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 59.98 2klo h ARG 128 Cb 0.40 -0.22 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 2klo h ARG 128 CO -0.01 0.64 0.03 1.25 0.10 0.00 0.00 179.97 181.98 2klo h LEU 129 N 1.00 0.11 0.00 0.08 5.85 -1.31 -3.14 115.31 117.89 2klo h LEU 129 Ca 0.48 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2klo h LEU 129 Cb 0.44 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2klo h LEU 129 CO -0.24 0.25 -0.05 0.00 -0.34 0.00 0.00 178.44 178.06 2klo n ALA 130 N -2.20 2.43 0.21 1.25 0.00 -0.36 -3.42 120.51 118.41 2klo n ALA 130 Ca -0.06 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2klo n ALA 130 Cb 0.11 -1.44 0.17 0.00 0.00 0.00 0.00 19.45 18.30 2klo n ALA 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klo h HIS 131 N 0.00 0.00 -0.32 0.00 -0.00 -1.03 -3.48 115.15 110.33 2klo h HIS 131 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2klo h HIS 131 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 2klo h HIS 131 CO 0.00 0.08 -0.09 0.72 -0.00 0.00 0.00 177.93 178.64 2klo n HIS 132 N -3.12 -0.05 -0.19 5.26 -0.00 -1.22 -4.89 115.22 111.01 2klo n HIS 132 Ca 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.68 2klo n HIS 132 Cb 0.55 -2.08 -0.02 0.00 -0.00 0.00 0.00 29.99 28.44 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo h VAL 133 N 0.00 0.13 -0.17 1.59 2.07 -1.90 -2.25 116.25 115.71 2klo h VAL 133 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2klo h VAL 133 Cb 0.90 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2klo h VAL 133 CO 0.14 0.00 0.00 1.57 0.02 0.00 0.00 177.57 179.30 2klo n HIS 134 N -5.42 0.22 -1.11 1.57 -0.00 -1.26 -5.02 115.22 104.20 2klo n HIS 134 Ca 0.02 -0.22 -0.31 0.00 -0.00 0.00 0.00 57.72 57.22 2klo n HIS 134 Cb 0.35 -0.01 0.12 0.00 -0.00 0.00 0.00 29.99 30.45 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2klo s ALA 135 N -1.00 1.87 0.00 1.57 0.00 -0.85 -4.98 121.76 118.37 2klo s ALA 135 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2klo s ALA 135 Cb 0.11 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2klo s ALA 135 CO 0.16 -2.15 0.00 0.39 0.00 0.00 0.00 175.76 174.15 2klo n GLU 136 N -3.79 2.50 -2.69 0.00 1.02 -1.26 -5.02 120.64 111.41 2klo n GLU 136 Ca 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2klo n GLU 136 Cb 0.53 -0.75 0.02 0.00 -0.02 0.00 0.00 31.44 31.23 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2klo n GLY 137 N 1.46 0.44 0.00 0.62 0.00 -1.26 -5.25 105.19 101.20 2klo n GLY 137 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36