#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 0.15 0.30 0.55 0.00 -1.26 -5.18 121.76 116.32 2klo s ALA 2 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 2klo s ALA 2 Cb 0.00 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.55 2klo s ALA 2 CO 0.00 -0.43 0.77 0.00 0.00 0.00 0.00 175.76 176.10 2klo n ALA 3 N 0.05 -1.84 -3.11 0.00 0.00 -1.26 -5.19 120.51 109.16 2klo n ALA 3 Ca -0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.11 2klo n ALA 3 Cb 0.62 0.79 -0.10 0.00 0.00 0.00 0.00 19.45 20.75 2klo n ALA 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2klo s SER 4 N -2.95 -0.03 1.09 0.00 0.15 -1.26 -5.17 113.70 105.53 2klo s SER 4 Ca 0.16 -0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.56 2klo s SER 4 Cb -0.04 0.24 0.24 0.00 -1.71 0.00 0.00 66.02 64.76 2klo s SER 4 CO 0.09 -0.32 1.17 -2.16 1.20 0.00 0.00 173.24 173.22 2klo s PRO 5 N -1.11 -0.37 0.24 5.44 0.04 -1.26 -5.10 135.00 132.88 2klo s PRO 5 Ca -0.12 -0.10 -0.05 0.00 0.04 0.00 0.00 61.00 60.77 2klo s PRO 5 Cb -0.06 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2klo s PRO 5 CO 0.02 -3.14 0.30 0.45 0.04 0.00 0.00 177.00 174.67 2klo s SER 6 N -4.18 0.21 0.35 6.66 0.15 -1.26 -5.19 113.70 110.44 2klo s SER 6 Ca 0.71 -1.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.04 2klo s SER 6 Cb -0.09 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2klo s SER 6 CO 0.55 -1.01 0.57 0.00 1.20 0.00 0.00 173.24 174.55 2klo s ALA 7 N -3.97 0.27 0.34 5.45 0.00 -1.26 -5.19 121.76 117.40 2klo s ALA 7 Ca 0.32 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2klo s ALA 7 Cb 0.03 1.01 -0.06 0.00 0.00 0.00 0.00 23.12 24.10 2klo s ALA 7 CO 0.12 -0.85 0.07 -0.51 0.00 0.00 0.00 175.76 174.59 2klo s LEU 8 N -3.18 2.13 -0.02 0.00 1.02 -1.26 -5.17 118.68 112.20 2klo s LEU 8 Ca 0.26 -1.43 -0.03 0.00 0.02 0.00 0.00 54.13 52.95 2klo s LEU 8 Cb -0.02 -0.33 0.00 0.00 0.02 0.00 0.00 46.19 45.86 2klo s LEU 8 CO 0.17 -0.66 0.07 -1.59 0.02 0.00 0.00 176.35 174.35 2klo s LYS 9 N -3.87 0.16 0.00 1.70 0.00 -1.26 -5.06 119.74 111.41 2klo s LYS 9 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 55.97 56.26 2klo s LYS 9 Cb 0.08 0.07 0.00 0.00 0.00 0.00 0.00 37.83 37.97 2klo s LYS 9 CO 0.15 -0.03 0.00 0.41 0.00 0.00 0.00 175.35 175.88 2klo n GLY 10 N 2.68 -1.78 3.23 0.59 0.00 -1.26 -5.18 105.19 103.47 2klo n GLY 10 Ca -0.15 0.66 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.10 -0.62 1.61 0.11 -1.26 -5.05 120.40 115.28 2klo s VAL 11 Ca 0.00 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 2klo s VAL 11 Cb 0.00 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 2klo s VAL 11 CO 0.00 -0.45 0.10 -1.20 -3.33 0.00 0.00 175.10 170.22 2klo n SER 12 N -0.13 0.26 -0.02 3.54 7.64 -1.26 -4.44 113.62 119.21 2klo n SER 12 Ca -0.08 -0.29 -0.11 0.00 1.01 0.00 0.00 58.87 59.40 2klo n SER 12 Cb 0.63 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 2klo n SER 12 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2klo h GLN 13 N 1.18 -0.38 0.00 1.43 5.75 -1.98 0.09 115.11 121.19 2klo h GLN 13 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2klo h GLN 13 Cb 0.10 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.74 2klo h GLN 13 CO 0.00 -0.25 0.00 0.00 -2.65 0.00 0.00 178.83 175.93 2klo h ALA 14 N 0.39 1.00 0.00 3.38 0.00 -2.00 0.95 119.26 122.98 2klo h ALA 14 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2klo h ALA 14 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2klo h ALA 14 CO -0.41 0.00 -1.75 1.28 0.00 0.00 0.00 179.25 178.37 2klo n LEU 15 N -2.49 0.58 -0.03 0.00 7.99 -0.20 -4.01 117.00 118.85 2klo n LEU 15 Ca -0.01 0.26 -0.16 0.00 -0.01 0.00 0.00 56.01 56.10 2klo n LEU 15 Cb 0.11 0.18 -0.14 0.00 -0.11 0.00 0.00 43.42 43.46 2klo n LEU 15 CO 0.16 0.26 -0.80 0.18 -1.51 0.00 0.00 177.39 175.67 2klo n LEU 16 N -2.82 1.83 -0.24 2.23 4.77 -0.16 -4.28 117.00 118.33 2klo n LEU 16 Ca -0.16 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2klo n LEU 16 Cb 0.92 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 41.64 2klo n LEU 16 CO 0.44 0.67 1.06 -0.33 -1.33 0.00 0.00 177.39 177.90 2klo h GLU 17 N 0.03 1.07 0.00 3.23 4.39 -1.04 -2.03 114.58 120.23 2klo h GLU 17 Ca -0.41 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2klo h GLU 17 Cb 2.03 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 2klo h GLU 17 CO 0.06 0.86 0.04 0.07 -1.16 0.00 0.00 179.01 178.89 2klo h ARG 18 N 1.05 0.00 0.70 2.33 0.11 -1.75 -2.69 114.38 114.12 2klo h ARG 18 Ca 0.25 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.29 2klo h ARG 18 Cb 0.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.28 2klo h ARG 18 CO -0.02 0.00 -0.33 0.82 0.10 0.00 0.00 179.97 180.53 2klo h ILE 19 N 0.00 0.28 -0.76 0.08 2.04 -1.59 -1.47 117.51 116.10 2klo h ILE 19 Ca 0.00 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2klo h ILE 19 Cb 0.09 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2klo h ILE 19 CO 0.00 0.01 0.25 0.08 0.00 0.00 0.00 178.15 178.49 2klo h ARG 20 N -1.01 1.16 0.00 2.37 0.11 -1.67 -2.46 114.38 112.89 2klo h ARG 20 Ca -0.10 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2klo h ARG 20 Cb 0.73 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2klo h ARG 20 CO 0.16 0.98 0.00 0.00 0.10 0.00 0.00 179.97 181.20 2klo n ALA 21 N -2.44 1.77 -0.12 0.08 0.00 -1.14 -3.53 120.51 115.13 2klo n ALA 21 Ca 0.06 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2klo n ALA 21 Cb 0.22 -1.21 0.42 0.00 0.00 0.00 0.00 19.45 18.88 2klo n ALA 21 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2klo h LYS 22 N 0.00 0.57 0.05 0.00 1.57 -0.76 -2.08 116.57 115.92 2klo h LYS 22 Ca 0.00 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 2klo h LYS 22 Cb 0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2klo h LYS 22 CO 0.00 0.38 -1.17 1.05 -0.57 0.00 0.00 179.45 179.14 2klo h GLU 23 N 0.59 0.11 -0.92 3.15 -0.00 -1.80 -3.33 114.58 112.38 2klo h GLU 23 Ca 0.28 -0.19 0.19 0.00 -0.00 0.00 0.00 59.36 59.65 2klo h GLU 23 Cb 0.35 0.07 -0.07 0.00 -0.00 0.00 0.00 28.75 29.10 2klo h GLU 23 CO -0.09 1.05 0.60 0.28 -0.00 0.00 0.00 179.01 180.85 2klo h VAL 24 N 0.03 0.70 0.00 -1.06 2.07 -1.58 -1.66 116.25 114.74 2klo h VAL 24 Ca -0.09 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2klo h VAL 24 Cb 1.87 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2klo h VAL 24 CO 0.15 0.09 0.22 1.56 0.02 0.00 0.00 177.57 179.61 2klo h GLN 25 N 0.50 0.00 -0.09 1.57 1.08 -1.66 -1.97 115.11 114.55 2klo h GLN 25 Ca 0.48 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.71 2klo h GLN 25 Cb 1.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2klo h GLN 25 CO -0.21 0.00 0.09 -0.22 -0.95 0.00 0.00 178.83 177.54 2klo h LYS 26 N 0.00 0.00 -0.05 1.46 3.64 -1.56 -0.86 116.57 119.21 2klo h LYS 26 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2klo h LYS 26 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2klo h LYS 26 CO 0.00 0.00 0.06 -0.56 -2.27 0.00 0.00 179.45 176.68 2klo h GLN 27 N 0.00 0.00 0.00 1.90 3.07 -1.61 -1.44 115.11 117.04 2klo h GLN 27 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2klo h GLN 27 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 2klo h GLN 27 CO -0.00 0.00 0.00 1.28 0.09 0.00 0.00 178.83 180.20 2klo n LEU 28 N -3.77 0.00 -0.18 0.06 4.32 -0.33 -0.76 117.00 116.34 2klo n LEU 28 Ca -0.02 0.25 0.08 0.00 -0.02 0.00 0.00 56.01 56.30 2klo n LEU 28 Cb 0.15 -0.25 0.12 0.00 -1.62 0.00 0.00 43.42 41.82 2klo n LEU 28 CO 0.27 -0.18 0.51 0.00 -1.22 0.00 0.00 177.39 176.76 2klo n ALA 29 N -1.25 2.33 -3.68 -1.18 0.00 -0.54 -4.07 120.51 112.12 2klo n ALA 29 Ca 0.04 -2.46 -0.29 0.00 0.00 0.00 0.00 53.44 50.74 2klo n ALA 29 Cb 0.06 -0.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.96 2klo n ALA 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2klo s ARG 30 N -2.49 0.53 -0.29 0.00 6.06 0.06 -4.88 118.95 117.93 2klo s ARG 30 Ca 0.28 -0.67 0.00 0.00 -2.50 0.00 0.00 55.73 52.84 2klo s ARG 30 Cb 0.25 -1.81 0.00 0.00 0.06 0.00 0.00 34.95 33.45 2klo s ARG 30 CO 0.02 -0.87 0.00 -1.33 -2.50 0.00 0.00 175.30 170.62 2klo n MET 31 N 5.04 -1.93 -4.03 5.12 2.81 -1.26 -4.89 117.12 117.97 2klo n MET 31 Ca -0.06 0.59 -0.11 0.00 -1.81 0.00 0.00 57.70 56.31 2klo n MET 31 Cb 0.44 -5.04 -0.05 0.00 -0.71 0.00 0.00 33.22 27.87 2klo n MET 31 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2klo s THR 32 N -1.22 0.00 0.27 2.03 -1.32 -1.26 -5.18 115.64 108.97 2klo s THR 32 Ca 0.00 -1.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.01 2klo s THR 32 Cb 0.00 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 2klo s THR 32 CO 0.00 0.00 0.16 0.00 -2.21 0.00 0.00 174.62 172.57 2klo s ARG 33 N -3.58 1.49 0.37 7.08 1.70 -1.26 -4.28 118.95 120.47 2klo s ARG 33 Ca 0.26 -1.83 0.00 0.00 -0.47 0.00 0.00 55.73 53.69 2klo s ARG 33 Cb -0.00 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 2klo s ARG 33 CO 0.13 -0.44 0.00 0.00 -1.08 0.00 0.00 175.30 173.91 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -1.99 -2.22 132.00 127.93 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 0.00 0.01 -1.91 -0.23 0.00 0.00 178.00 175.87 2klo n GLU 36 N -2.68 0.12 0.23 0.86 0.00 -1.26 -1.23 120.64 116.69 2klo n GLU 36 Ca -0.01 0.62 0.16 0.00 0.00 0.00 0.00 57.16 57.93 2klo n GLU 36 Cb 0.12 -1.90 0.81 0.00 0.00 0.00 0.00 31.44 30.46 2klo n GLU 36 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2klo h GLN 37 N 0.00 0.00 -0.60 5.31 4.15 -1.82 -3.05 115.11 119.10 2klo h GLN 37 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 2klo h GLN 37 Cb 0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2klo h GLN 37 CO 0.00 0.00 0.45 1.05 -1.93 0.00 0.00 178.83 178.40 2klo h GLU 38 N 0.00 0.00 -0.87 1.69 4.11 -1.44 -0.99 114.58 117.09 2klo h GLU 38 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 2klo h GLU 38 Cb 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2klo h GLU 38 CO 0.00 0.00 0.56 -0.07 0.07 0.00 0.00 179.01 179.57 2klo h LEU 39 N 0.00 0.95 -0.11 3.06 -0.00 -1.81 0.26 115.31 117.66 2klo h LEU 39 Ca 0.29 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.09 2klo h LEU 39 Cb 1.19 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2klo h LEU 39 CO -0.00 0.66 -0.18 0.03 -0.00 0.00 0.00 178.44 178.95 2klo h ARG 40 N 1.11 0.31 -0.03 1.13 2.47 -1.45 -2.36 114.38 115.57 2klo h ARG 40 Ca 0.34 -0.19 0.02 0.00 -1.26 0.00 0.00 59.98 58.88 2klo h ARG 40 Cb -0.04 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2klo h ARG 40 CO -0.10 0.78 -0.08 -0.07 0.56 0.00 0.00 179.97 181.05 2klo h LEU 41 N -0.12 -0.24 -1.20 3.04 3.38 -1.10 -2.33 115.31 116.74 2klo h LEU 41 Ca 0.01 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2klo h LEU 41 Cb 0.75 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2klo h LEU 41 CO 0.04 -0.12 0.57 1.56 0.09 0.00 0.00 178.44 180.58 2klo h GLN 42 N -0.13 0.93 -0.33 1.13 1.08 -0.53 0.14 115.11 117.41 2klo h GLN 42 Ca 0.04 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2klo h GLN 42 Cb 0.18 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2klo h GLN 42 CO -0.10 0.62 0.06 0.07 -0.95 0.00 0.00 178.83 178.53 2klo h ARG 43 N 0.96 0.53 0.00 1.46 0.11 -0.89 -1.12 114.38 115.43 2klo h ARG 43 Ca 0.38 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 60.20 2klo h ARG 43 Cb 0.23 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 2klo h ARG 43 CO -0.14 0.61 -0.55 1.37 0.10 0.00 0.00 179.97 181.36 2klo h LEU 44 N 0.37 0.00 -0.45 0.08 8.10 -1.04 -2.95 115.31 119.43 2klo h LEU 44 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.09 2klo h LEU 44 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2klo h LEU 44 CO 0.00 0.55 0.00 -0.33 -4.11 0.00 0.00 178.44 174.55 2klo h GLU 45 N 0.00 0.00 0.00 0.17 5.08 -0.57 -3.25 114.58 116.01 2klo h GLU 45 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2klo h GLU 45 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2klo h GLU 45 CO 0.07 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.95 2klo n ARG 46 N -2.86 0.04 0.23 2.33 3.00 -0.44 -3.50 116.66 115.46 2klo n ARG 46 Ca 0.03 0.33 -0.09 0.00 -0.00 0.00 0.00 57.85 58.12 2klo n ARG 46 Cb 0.42 -1.59 -0.04 0.00 0.00 0.00 0.00 32.46 31.25 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2klo h LEU 47 N 0.00 -0.49 -1.51 6.15 3.38 -1.75 -0.66 115.31 120.43 2klo h LEU 47 Ca 0.00 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2klo h LEU 47 Cb 0.23 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2klo h LEU 47 CO 0.00 -0.34 -0.21 1.55 0.09 0.00 0.00 178.44 179.54 2klo h PRO 48 N -0.59 0.06 0.37 1.13 0.13 -1.86 -2.69 132.00 128.55 2klo h PRO 48 Ca -0.06 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2klo h PRO 48 Cb 0.44 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 2klo h PRO 48 CO 0.10 0.26 -0.32 1.49 -0.23 0.00 0.00 178.00 179.30 2klo h GLU 49 N 0.05 -0.67 -0.66 0.86 4.57 -1.57 0.01 114.58 117.17 2klo h GLU 49 Ca 0.01 0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 2klo h GLU 49 Cb 0.40 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2klo h GLU 49 CO 0.03 -0.45 0.21 -0.07 -1.18 0.00 0.00 179.01 177.55 2klo h LEU 50 N -0.70 0.96 0.27 1.64 -0.00 -1.00 0.03 115.31 116.52 2klo h LEU 50 Ca -0.03 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2klo h LEU 50 Cb 0.61 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2klo h LEU 50 CO -0.03 0.91 -0.21 0.00 -0.00 0.00 0.00 178.44 179.11 2klo h ALA 51 N 1.09 -0.48 -0.09 1.53 0.00 -1.29 0.12 119.26 120.14 2klo h ALA 51 Ca 0.21 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2klo h ALA 51 Cb 0.29 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2klo h ALA 51 CO -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 179.25 178.43 2klo h ARG 52 N -0.50 0.00 0.05 0.00 3.08 -0.88 -2.05 114.38 114.09 2klo h ARG 52 Ca -0.02 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2klo h ARG 52 Cb 0.44 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2klo h ARG 52 CO -0.01 0.00 -0.13 0.28 -1.07 0.00 0.00 179.97 179.03 2klo h VAL 53 N 0.00 0.68 -0.42 2.04 2.07 -0.83 -1.31 116.25 118.49 2klo h VAL 53 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 2klo h VAL 53 Cb 0.07 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 2klo h VAL 53 CO -0.10 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 177.60 2klo h LEU 54 N -0.25 -0.52 -0.70 2.57 5.85 -0.54 0.61 115.31 122.33 2klo h LEU 54 Ca 0.03 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2klo h LEU 54 Cb 0.28 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2klo h LEU 54 CO -0.10 -0.18 0.44 -0.09 -0.34 0.00 0.00 178.44 178.17 2klo h ARG 55 N -0.06 0.85 0.49 1.25 2.43 -1.07 -2.59 114.38 115.69 2klo h ARG 55 Ca 0.20 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2klo h ARG 55 Cb 0.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2klo h ARG 55 CO -0.46 0.56 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.35 2klo h ASN 56 N 0.87 -0.76 -0.18 -3.80 2.35 0.20 -1.73 115.58 112.54 2klo h ASN 56 Ca 0.27 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.10 2klo h ASN 56 Cb -0.01 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2klo h ASN 56 CO -0.10 -0.48 -0.04 0.58 -1.65 0.00 0.00 177.43 175.75 2klo h VAL 57 N -0.76 0.83 -1.00 2.81 2.07 -0.91 -2.06 116.25 117.23 2klo h VAL 57 Ca -0.06 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2klo h VAL 57 Cb 0.62 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2klo h VAL 57 CO 0.06 0.00 0.65 -0.26 0.02 0.00 0.00 177.57 178.04 2klo h PHE 58 N 0.01 1.26 -0.36 1.57 -1.00 -1.45 -0.79 116.94 116.19 2klo h PHE 58 Ca 0.09 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 2klo h PHE 58 Cb 0.13 -0.43 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 2klo h PHE 58 CO -0.20 0.80 0.17 0.28 -1.61 0.00 0.00 178.31 177.76 2klo h VAL 59 N 1.36 1.16 -0.22 -0.55 2.07 -0.89 -2.69 116.25 116.50 2klo h VAL 59 Ca 0.37 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2klo h VAL 59 Cb -0.14 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2klo h VAL 59 CO -0.08 0.17 0.02 -1.28 0.02 0.00 0.00 177.57 176.42 2klo h SER 60 N 0.44 0.29 0.21 0.57 0.87 -0.67 -2.58 113.55 112.68 2klo h SER 60 Ca 0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2klo h SER 60 Cb 0.12 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2klo h SER 60 CO -0.02 0.33 0.00 1.21 -0.53 0.00 0.00 176.83 177.82 2klo n GLU 61 N -4.37 0.10 -0.98 2.24 4.07 -0.38 -4.86 120.64 116.46 2klo n GLU 61 Ca 0.00 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2klo n GLU 61 Cb 0.18 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 2klo n GLU 61 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2klo n ARG 62 N -1.33 -1.94 -3.80 5.31 3.00 -0.97 -4.92 116.66 112.00 2klo n ARG 62 Ca 0.04 0.48 -0.13 0.00 -0.00 0.00 0.00 57.85 58.25 2klo n ARG 62 Cb 0.08 -4.98 -0.12 0.00 0.00 0.00 0.00 32.46 27.44 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 -1.97 0.26 0.00 -0.14 -2.85 -1.26 -5.04 119.74 108.74 2klo s LYS 63 Ca 0.00 0.27 0.28 0.00 -1.00 0.00 0.00 55.97 55.52 2klo s LYS 63 Cb 0.00 0.12 1.09 0.00 -2.06 0.00 0.00 37.83 36.98 2klo s LYS 63 CO 0.00 -0.03 1.77 -0.35 0.10 0.00 0.00 175.35 176.84 2klo n PRO 64 N 2.91 0.89 -4.19 1.78 -0.04 -1.26 -4.79 135.00 130.31 2klo n PRO 64 Ca -0.13 -0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 62.71 2klo n PRO 64 Cb 0.58 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.39 0.82 0.17 0.55 0.00 -1.26 -1.32 121.76 118.33 2klo s ALA 65 Ca 0.30 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.17 2klo s ALA 65 Cb 0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2klo s ALA 65 CO 0.46 -0.06 -0.13 -0.51 0.00 0.00 0.00 175.76 175.52 2klo s LEU 66 N 1.01 2.52 0.53 0.00 1.43 -0.84 -4.97 118.68 118.36 2klo s LEU 66 Ca -0.09 -0.98 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 2klo s LEU 66 Cb -0.14 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.44 2klo s LEU 66 CO -0.00 -0.21 1.07 -0.89 0.23 0.00 0.00 176.35 176.55 2klo s THR 67 N -2.91 3.58 0.19 5.49 2.01 -1.26 -0.37 115.64 122.37 2klo s THR 67 Ca 0.18 0.93 -0.12 0.00 0.31 0.00 0.00 61.69 63.00 2klo s THR 67 Cb -0.01 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.22 2klo s THR 67 CO 0.04 -0.26 1.78 -0.03 -0.69 0.00 0.00 174.62 175.46 2klo h MET 68 N 1.20 0.50 -0.54 4.92 4.05 -1.26 -1.36 114.93 122.44 2klo h MET 68 Ca -0.49 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 58.90 2klo h MET 68 Cb 1.23 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.89 2klo h MET 68 CO 0.58 0.33 0.34 1.49 0.23 0.00 0.00 176.91 179.88 2klo h GLU 69 N 0.51 0.73 0.42 0.39 4.81 -1.93 -1.63 114.58 117.88 2klo h GLU 69 Ca 0.24 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2klo h GLU 69 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2klo h GLU 69 CO -0.17 0.52 -0.20 0.28 -0.73 0.00 0.00 179.01 178.71 2klo h VAL 70 N 0.73 0.56 -0.15 0.32 2.07 -1.83 -2.68 116.25 115.28 2klo h VAL 70 Ca 0.20 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2klo h VAL 70 Cb -0.03 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2klo h VAL 70 CO -0.04 0.06 0.08 1.62 0.02 0.00 0.00 177.57 179.32 2klo h VAL 71 N -0.78 1.05 0.76 2.57 3.04 -1.20 -1.52 116.25 120.16 2klo h VAL 71 Ca -0.06 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 2klo h VAL 71 Cb 0.53 0.85 0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2klo h VAL 71 CO 0.09 0.05 -0.36 0.00 -1.01 0.00 0.00 177.57 176.34 2klo h ALA 73 N -1.34 1.41 -0.68 0.00 0.00 -1.40 -0.89 119.26 116.36 2klo h ALA 73 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2klo h ALA 73 Cb 0.78 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2klo h ALA 73 CO 0.17 0.50 0.42 0.00 0.00 0.00 0.00 179.25 180.34 2klo h ARG 74 N 0.95 0.90 0.04 0.00 2.47 -1.24 -2.50 114.38 115.00 2klo h ARG 74 Ca 0.25 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.76 2klo h ARG 74 Cb -0.01 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.10 2klo h ARG 74 CO -0.04 0.62 -0.73 0.52 0.56 0.00 0.00 179.97 180.90 2klo h MET 75 N 0.92 0.08 -0.27 0.04 2.86 -0.86 -3.37 114.93 114.33 2klo h MET 75 Ca 0.24 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 2klo h MET 75 Cb -0.06 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2klo h MET 75 CO -0.05 1.07 0.19 -0.24 1.06 0.00 0.00 176.91 178.94 2klo h VAL 76 N -0.80 0.86 0.00 -2.22 3.04 -1.15 -1.54 116.25 114.44 2klo h VAL 76 Ca -0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2klo h VAL 76 Cb 1.31 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 2klo h VAL 76 CO -0.03 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.86 2klo n ASP 77 N -4.45 0.55 0.00 3.17 2.03 -0.95 -1.64 116.55 115.26 2klo n ASP 77 Ca 0.03 0.71 0.11 0.00 0.52 0.00 0.00 54.79 56.17 2klo n ASP 77 Cb 0.35 -0.80 0.64 0.00 -0.72 0.00 0.00 41.12 40.59 2klo n ASP 77 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2klo n SER 78 N -2.19 0.00 0.00 1.67 2.88 -0.58 -3.45 113.62 111.94 2klo n SER 78 Ca -0.00 -0.51 0.10 0.00 -1.33 0.00 0.00 58.87 57.13 2klo n SER 78 Cb 0.09 -0.09 0.53 0.00 -0.75 0.00 0.00 64.21 64.00 2klo n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2klo n GLN 80 N -1.24 0.30 0.00 0.00 10.64 -1.22 -4.11 117.38 121.74 2klo n GLN 80 Ca 0.11 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2klo n GLN 80 Cb 0.15 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2klo n THR 81 N 1.95 0.00 -1.91 -0.39 5.66 -1.26 -5.07 114.28 113.26 2klo n THR 81 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2klo n THR 81 Cb 0.15 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 2klo n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2klo n ALA 82 N -3.00 1.79 -2.53 1.79 0.00 -1.26 -5.11 120.51 112.19 2klo n ALA 82 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 2klo n ALA 82 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 2klo n ALA 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2klo s LEU 83 N 0.00 2.82 0.34 0.00 0.05 -1.26 -5.15 118.68 115.47 2klo s LEU 83 Ca 0.00 -0.93 0.00 0.00 0.05 0.00 0.00 54.13 53.25 2klo s LEU 83 Cb 0.00 -1.30 -0.03 0.00 -2.05 0.00 0.00 46.19 42.81 2klo s LEU 83 CO 0.00 -0.02 0.55 -0.94 -0.55 0.00 0.00 176.35 175.39 2klo s SER 84 N -3.59 6.31 0.00 1.48 1.04 -1.26 -4.79 113.70 112.89 2klo s SER 84 Ca 0.31 0.47 0.07 0.00 0.48 0.00 0.00 55.95 57.29 2klo s SER 84 Cb -0.04 -2.04 0.33 0.00 0.10 0.00 0.00 66.02 64.36 2klo s SER 84 CO 0.17 -0.29 1.20 -0.81 0.98 0.00 0.00 173.24 174.50 2klo n PRO 85 N -1.71 0.03 0.10 4.02 -0.04 -1.26 -2.06 135.00 134.08 2klo n PRO 85 Ca -0.05 0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 2klo n PRO 85 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2klo n PRO 85 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2klo h GLY 86 N 1.25 0.57 0.90 0.55 0.00 -1.98 -3.25 103.07 101.11 2klo h GLY 86 Ca 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 47.33 46.11 2klo h GLY 86 CO 0.00 1.09 0.27 0.83 0.00 0.00 0.00 176.54 178.74 2klo h GLU 87 N 0.20 0.53 -0.49 4.80 4.39 -1.82 -2.31 114.58 119.88 2klo h GLU 87 Ca -0.17 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.59 2klo h GLU 87 Cb 1.93 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 30.37 2klo h GLU 87 CO 0.23 0.35 -0.04 1.98 -1.16 0.00 0.00 179.01 180.37 2klo h MET 88 N 0.55 0.07 0.36 2.33 4.05 -1.65 -0.91 114.93 119.74 2klo h MET 88 Ca 0.18 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2klo h MET 88 Cb 0.00 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2klo h MET 88 CO -0.08 0.05 -0.28 1.49 0.23 0.00 0.00 176.91 178.32 2klo h GLU 89 N 0.07 -0.62 -0.24 0.39 4.81 -1.46 -2.28 114.58 115.26 2klo h GLU 89 Ca 0.25 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 2klo h GLU 89 Cb 0.37 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2klo h GLU 89 CO -0.45 -0.41 0.20 0.87 -0.73 0.00 0.00 179.01 178.50 2klo h LYS 90 N -0.64 0.00 -0.27 1.92 1.57 -0.94 -0.33 116.57 117.89 2klo h LYS 90 Ca -0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 2klo h LYS 90 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2klo h LYS 90 CO -0.01 0.00 -0.59 0.45 -0.57 0.00 0.00 179.45 178.73 2klo h HIS 91 N 0.00 1.10 -0.65 -1.35 3.86 -0.64 -1.03 115.15 116.44 2klo h HIS 91 Ca 0.12 -0.41 -0.07 0.00 -1.16 0.00 0.00 60.37 58.85 2klo h HIS 91 Cb 0.52 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 2klo h HIS 91 CO 0.00 1.25 0.15 -0.07 0.86 0.00 0.00 177.93 180.11 2klo h LEU 92 N 0.65 0.98 0.24 2.43 3.38 -0.61 -0.92 115.31 121.45 2klo h LEU 92 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2klo h LEU 92 Cb 1.20 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2klo h LEU 92 CO 0.13 0.95 -0.11 0.58 0.09 0.00 0.00 178.44 180.08 2klo h VAL 93 N 0.99 0.82 -0.96 1.22 2.07 -1.21 -1.46 116.25 117.72 2klo h VAL 93 Ca 0.21 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2klo h VAL 93 Cb 0.37 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2klo h VAL 93 CO 0.00 0.07 0.63 0.17 0.02 0.00 0.00 177.57 178.47 2klo h LEU 94 N -0.49 1.07 0.22 2.57 8.10 -1.08 0.47 115.31 126.18 2klo h LEU 94 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 2klo h LEU 94 Cb 0.36 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2klo h LEU 94 CO 0.05 0.75 -0.10 -0.07 -4.11 0.00 0.00 178.44 174.96 2klo h LEU 95 N 1.26 -0.25 -1.99 0.17 3.38 -1.06 -2.57 115.31 114.25 2klo h LEU 95 Ca 0.37 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2klo h LEU 95 Cb -0.07 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2klo h LEU 95 CO -0.10 -0.01 -0.09 0.00 0.09 0.00 0.00 178.44 178.32 2klo h ALA 96 N 0.26 1.25 0.06 1.53 0.00 -0.97 0.68 119.26 122.08 2klo h ALA 96 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2klo h ALA 96 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2klo h ALA 96 CO 0.05 0.12 -0.03 1.49 0.00 0.00 0.00 179.25 180.88 2klo h GLU 97 N 0.00 -0.08 0.00 0.00 4.81 -0.56 -1.55 114.58 117.19 2klo h GLU 97 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2klo h GLU 97 Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2klo h GLU 97 CO 0.01 0.32 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.95 2klo h LEU 98 N -0.51 0.00 -5.35 1.64 -0.00 -1.37 -3.37 115.31 106.35 2klo h LEU 98 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.31 2klo h LEU 98 Cb 0.44 0.00 -0.42 0.00 -0.00 0.00 0.00 40.66 40.69 2klo h LEU 98 CO 0.01 0.35 -0.78 0.18 -0.00 0.00 0.00 178.44 178.21 2klo n LEU 99 N -3.08 3.69 0.11 1.67 4.77 0.22 -4.90 117.00 119.48 2klo n LEU 99 Ca 0.00 -5.45 0.11 0.00 -0.03 0.00 0.00 56.01 50.64 2klo n LEU 99 Cb 0.69 -0.26 0.46 0.00 -2.33 0.00 0.00 43.42 41.97 2klo n LEU 99 CO 0.39 2.31 0.83 -0.81 -1.33 0.00 0.00 177.39 178.79 2klo n PRO 100 N -0.16 0.16 0.06 3.23 -0.04 -0.58 -1.43 135.00 136.24 2klo n PRO 100 Ca 0.30 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 2klo n PRO 100 Cb 0.48 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 2klo n PRO 100 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2klo n ASP 101 N -2.10 0.62 -0.03 3.54 9.92 -1.26 -4.43 116.55 122.81 2klo n ASP 101 Ca 0.02 0.16 -0.02 0.00 -0.53 0.00 0.00 54.79 54.43 2klo n ASP 101 Cb 0.22 0.83 -0.01 0.00 -0.64 0.00 0.00 41.12 41.53 2klo n ASP 101 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2klo h TRP 102 N 0.00 0.00 -3.55 1.24 7.01 -1.64 -3.44 115.95 115.57 2klo h TRP 102 Ca 0.00 0.00 -0.61 0.00 2.11 0.00 0.00 58.89 60.39 2klo h TRP 102 Cb 0.94 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.87 2klo h TRP 102 CO 0.00 0.00 -0.39 -1.17 -2.79 0.00 0.00 178.44 174.09 2klo s LEU 103 N -6.09 4.13 0.13 0.65 2.96 -0.52 -2.41 118.68 117.53 2klo s LEU 103 Ca -0.05 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 2klo s LEU 103 Cb 0.01 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2klo s LEU 103 CO 0.07 0.01 0.09 -0.94 -1.32 0.00 0.00 176.35 174.27 2klo s SER 104 N 1.08 0.27 0.12 3.68 1.04 -0.48 -4.36 113.70 115.05 2klo s SER 104 Ca 0.12 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.51 2klo s SER 104 Cb -0.14 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 2klo s SER 104 CO 0.06 -0.75 -0.18 -1.48 0.98 0.00 0.00 173.24 171.87 2klo s LEU 105 N -3.02 2.36 -0.25 2.42 0.05 -1.26 -0.41 118.68 118.57 2klo s LEU 105 Ca 0.21 -0.75 -0.03 0.00 0.05 0.00 0.00 54.13 53.61 2klo s LEU 105 Cb 0.07 -0.76 0.08 0.00 -2.05 0.00 0.00 46.19 43.53 2klo s LEU 105 CO 0.00 -0.03 0.08 -1.00 -0.55 0.00 0.00 176.35 174.85 2klo s HIS 106 N -1.63 1.06 0.02 3.48 3.76 0.36 -4.92 115.29 117.42 2klo s HIS 106 Ca 0.09 -1.11 -0.30 0.00 -0.15 0.00 0.00 55.06 53.58 2klo s HIS 106 Cb -0.08 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 2klo s HIS 106 CO 0.04 -0.73 1.12 0.50 -0.85 0.00 0.00 174.74 174.82 2klo s ARG 107 N 1.85 4.46 0.20 1.40 3.00 -1.26 -1.38 118.95 127.21 2klo s ARG 107 Ca 0.05 1.63 0.11 0.00 -1.00 0.00 0.00 55.73 56.52 2klo s ARG 107 Cb -0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.32 2klo s ARG 107 CO -0.19 -0.22 -0.23 0.42 0.00 0.00 0.00 175.30 175.07 2klo s ILE 108 N 1.26 2.38 -1.21 4.11 -1.09 0.45 -4.98 121.20 122.11 2klo s ILE 108 Ca 0.56 -2.07 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 2klo s ILE 108 Cb -0.26 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.47 2klo s ILE 108 CO 0.27 -0.15 0.67 -2.11 -1.23 0.00 0.00 174.94 172.39 2klo n ARG 109 N 0.16 0.00 0.00 2.79 1.85 -1.26 -2.01 116.66 118.19 2klo n ARG 109 Ca -0.12 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2klo n ARG 109 Cb 0.56 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 -1.17 0.00 -3.98 8.89 5.66 -1.26 -5.13 114.28 117.29 2klo n THR 110 Ca 0.00 -0.01 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2klo n THR 110 Cb 0.05 0.37 0.01 0.00 -1.55 0.00 0.00 70.33 69.21 2klo n THR 110 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2klo s ASP 111 N -1.44 0.00 -0.01 1.09 -1.08 -0.85 -5.17 116.67 109.21 2klo s ASP 111 Ca 0.00 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 51.93 2klo s ASP 111 Cb 0.00 0.09 -0.03 0.00 -1.46 0.00 0.00 42.92 41.52 2klo s ASP 111 CO 0.00 -0.18 -0.05 -0.89 0.52 0.00 0.00 175.17 174.57 2klo s THR 112 N -2.03 3.80 0.25 1.71 2.01 -1.26 -0.41 115.64 119.70 2klo s THR 112 Ca 0.29 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.63 2klo s THR 112 Cb 0.00 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 2klo s THR 112 CO -0.02 0.41 0.03 -0.31 -0.69 0.00 0.00 174.62 174.05 2klo s TYR 113 N -1.00 1.63 0.17 4.92 1.51 -0.48 -0.79 117.35 123.30 2klo s TYR 113 Ca 0.17 -0.99 0.09 0.00 -1.01 0.00 0.00 57.07 55.34 2klo s TYR 113 Cb -0.11 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 2klo s TYR 113 CO 0.07 -0.10 -0.20 0.08 -1.11 0.00 0.00 175.55 174.29 2klo s VAL 114 N -3.47 1.99 0.02 0.71 1.01 0.50 -0.48 120.40 120.68 2klo s VAL 114 Ca 0.32 -1.94 0.04 0.00 0.00 0.00 0.00 61.98 60.40 2klo s VAL 114 Cb 0.07 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2klo s VAL 114 CO 0.11 -0.24 -0.11 -0.54 0.00 0.00 0.00 175.10 174.32 2klo s LYS 115 N -2.71 0.79 -0.13 2.72 1.02 0.45 -1.99 119.74 119.89 2klo s LYS 115 Ca 0.17 -0.61 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 2klo s LYS 115 Cb -0.07 -0.75 0.06 0.00 -0.52 0.00 0.00 37.83 36.56 2klo s LYS 115 CO 0.08 0.19 0.28 -1.17 -0.92 0.00 0.00 175.35 173.81 2klo s LEU 116 N -0.89 -0.11 -0.75 3.17 0.20 -0.44 -1.38 118.68 118.49 2klo s LEU 116 Ca 0.00 0.63 -0.26 0.00 0.69 0.00 0.00 54.13 55.19 2klo s LEU 116 Cb -0.07 0.82 0.01 0.00 -0.43 0.00 0.00 46.19 46.52 2klo s LEU 116 CO 0.01 -0.21 1.58 -1.81 -0.29 0.00 0.00 176.35 175.62 2klo s ASP 117 N 2.02 5.78 0.25 3.68 1.01 -1.01 -4.75 116.67 123.65 2klo s ASP 117 Ca -0.03 -0.32 0.21 0.00 0.71 0.00 0.00 52.55 53.12 2klo s ASP 117 Cb -0.11 -2.55 0.97 0.00 1.01 0.00 0.00 42.92 42.24 2klo s ASP 117 CO -0.09 -2.08 1.65 0.29 0.21 0.00 0.00 175.17 175.15 2klo n LYS 118 N 9.20 0.16 0.08 8.23 5.02 -1.26 -2.76 118.16 136.82 2klo n LYS 118 Ca 0.17 0.48 0.13 0.00 -2.02 0.00 0.00 58.31 57.06 2klo n LYS 118 Cb 0.50 -1.86 0.29 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.75 2.62 -1.97 7.82 0.00 -1.26 -4.89 120.51 121.08 2klo n ALA 119 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2klo n ALA 119 Cb 0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.13 2.93 -0.21 0.00 1.01 -1.11 -4.93 120.40 114.96 2klo s VAL 120 Ca 0.09 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 2klo s VAL 120 Cb 0.13 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2klo s VAL 120 CO 0.66 0.10 1.47 -1.81 0.00 0.00 0.00 175.10 175.52 2klo s ASP 121 N 0.55 6.60 0.56 3.32 1.01 -1.26 -4.89 116.67 122.56 2klo s ASP 121 Ca 0.60 1.60 0.24 0.00 0.71 0.00 0.00 52.55 55.70 2klo s ASP 121 Cb -0.40 -2.54 1.58 0.00 1.01 0.00 0.00 42.92 42.58 2klo s ASP 121 CO 0.38 -1.07 2.20 0.25 0.21 0.00 0.00 175.17 177.14 2klo h LEU 122 N 10.91 0.00 -0.03 1.23 7.12 -1.96 -1.97 115.31 130.61 2klo h LEU 122 Ca -0.31 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.70 2klo h LEU 122 Cb 1.13 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2klo h LEU 122 CO 1.00 0.01 0.02 0.00 -0.13 0.00 0.00 178.44 179.33 2klo h ALA 123 N 1.99 0.03 -0.62 1.25 0.00 -1.99 0.19 119.26 120.11 2klo h ALA 123 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2klo h ALA 123 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2klo h ALA 123 CO 0.00 -0.47 0.05 0.78 0.00 0.00 0.00 179.25 179.61 2klo h GLY 124 N 0.03 1.12 0.92 0.00 0.00 -1.79 -1.53 103.07 101.83 2klo h GLY 124 Ca 0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 2klo h GLY 124 CO -0.00 0.71 0.06 1.41 0.00 0.00 0.00 176.54 178.72 2klo h LEU 125 N 0.96 0.14 -1.22 3.11 3.38 -1.03 -2.28 115.31 118.37 2klo h LEU 125 Ca 0.18 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2klo h LEU 125 Cb 0.48 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2klo h LEU 125 CO 0.02 0.19 0.53 0.74 0.09 0.00 0.00 178.44 180.01 2klo h THR 126 N 0.07 1.19 0.42 0.22 2.02 -0.44 -1.19 112.91 115.19 2klo h THR 126 Ca 0.04 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2klo h THR 126 Cb 0.09 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 2klo h THR 126 CO -0.01 0.19 -0.44 0.00 0.37 0.00 0.00 175.52 175.64 2klo h ALA 127 N 1.51 -0.96 0.00 6.16 0.00 -0.74 -0.35 119.26 124.87 2klo h ALA 127 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2klo h ALA 127 Cb -0.10 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2klo h ALA 127 CO -0.07 -1.08 -0.15 0.07 0.00 0.00 0.00 179.25 178.02 2klo h ARG 128 N -0.88 0.00 0.39 0.00 0.11 -1.23 -1.47 114.38 111.30 2klo h ARG 128 Ca -0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2klo h ARG 128 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2klo h ARG 128 CO -0.08 0.15 -0.19 1.25 0.10 0.00 0.00 179.97 181.20 2klo h LEU 129 N 0.00 -0.44 -2.31 0.08 6.46 -0.45 -3.22 115.31 115.43 2klo h LEU 129 Ca -0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2klo h LEU 129 Cb 0.34 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2klo h LEU 129 CO 0.02 -0.19 0.00 0.00 -0.62 0.00 0.00 178.44 177.65 2klo h ALA 130 N -1.51 1.00 0.00 1.25 0.00 -1.04 -0.32 119.26 118.64 2klo h ALA 130 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2klo h ALA 130 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2klo h ALA 130 CO 0.09 0.00 -0.24 1.25 0.00 0.00 0.00 179.25 180.34 2klo h HIS 131 N 0.00 0.00 -6.69 0.00 -0.00 -1.27 -3.47 115.15 103.72 2klo h HIS 131 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.83 2klo h HIS 131 Cb 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.33 2klo h HIS 131 CO 0.00 0.24 -0.89 0.72 -0.00 0.00 0.00 177.93 178.00 2klo n HIS 132 N -3.46 -1.58 -0.03 5.26 -0.00 -0.13 -4.90 115.22 110.38 2klo n HIS 132 Ca -0.00 0.73 -0.13 0.00 -0.00 0.00 0.00 57.72 58.32 2klo n HIS 132 Cb 0.42 -3.32 -0.09 0.00 -0.00 0.00 0.00 29.99 27.00 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 -1.72 1.38 0.00 1.59 2.07 -1.84 -3.37 116.25 114.37 2klo h VAL 133 Ca -0.63 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 2klo h VAL 133 Cb 1.38 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2klo h VAL 133 CO 0.69 0.35 -1.63 1.41 0.02 0.00 0.00 177.57 178.40 2klo n HIS 134 N -4.71 0.00 -0.72 1.57 8.25 -1.26 -5.04 115.22 113.31 2klo n HIS 134 Ca -0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 2klo n HIS 134 Cb 0.31 -0.32 0.23 0.00 1.12 0.00 0.00 29.99 31.33 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2klo s ALA 135 N -2.92 -0.05 0.00 -1.41 0.00 -1.26 -5.02 121.76 111.10 2klo s ALA 135 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2klo s ALA 135 Cb 0.09 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2klo s ALA 135 CO 0.57 -3.56 0.00 -0.85 0.00 0.00 0.00 175.76 171.92 2klo n GLU 136 N -4.71 0.00 0.00 0.00 0.28 -1.26 -4.99 120.64 109.95 2klo n GLU 136 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2klo n GLU 136 Cb 0.55 -0.48 0.00 0.00 1.43 0.00 0.00 31.44 32.94 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2klo n GLY 137 N 0.66 0.76 0.00 -1.84 0.00 -1.26 -5.23 105.19 98.28 2klo n GLY 137 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.38 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36