#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 -0.05 0.29 0.55 0.00 -1.26 -5.18 121.76 116.12 2klo s ALA 2 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.12 2klo s ALA 2 Cb 0.00 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.52 2klo s ALA 2 CO 0.00 -0.39 0.92 0.00 0.00 0.00 0.00 175.76 176.29 2klo s ALA 3 N -3.23 -1.14 0.09 0.00 0.00 -1.26 -5.20 121.76 111.02 2klo s ALA 3 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2klo s ALA 3 Cb 0.02 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2klo s ALA 3 CO -0.07 -1.03 -0.09 -1.54 0.00 0.00 0.00 175.76 173.03 2klo s SER 4 N -3.28 1.32 0.67 0.00 1.04 -1.26 -5.16 113.70 107.03 2klo s SER 4 Ca 0.20 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 55.66 2klo s SER 4 Cb -0.04 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 2klo s SER 4 CO 0.09 -0.31 1.07 -2.16 0.98 0.00 0.00 173.24 172.91 2klo s PRO 5 N -2.92 2.97 0.77 4.02 0.04 -1.26 -5.04 135.00 133.58 2klo s PRO 5 Ca 0.05 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 2klo s PRO 5 Cb -0.02 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2klo s PRO 5 CO -0.01 -1.08 1.08 -1.54 0.04 0.00 0.00 177.00 175.49 2klo s SER 6 N -3.27 4.66 0.22 6.66 1.04 -1.26 -5.09 113.70 116.66 2klo s SER 6 Ca 0.61 1.49 -0.08 0.00 0.48 0.00 0.00 55.95 58.45 2klo s SER 6 Cb -0.16 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 2klo s SER 6 CO 0.47 -1.89 0.34 0.00 0.98 0.00 0.00 173.24 173.15 2klo s ALA 7 N -3.06 0.25 0.33 5.32 0.00 -1.26 -5.19 121.76 118.14 2klo s ALA 7 Ca 0.60 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2klo s ALA 7 Cb -0.15 1.14 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 2klo s ALA 7 CO 0.55 -0.74 0.14 -0.51 0.00 0.00 0.00 175.76 175.20 2klo s LEU 8 N -3.06 1.80 0.18 0.00 1.02 -1.26 -5.18 118.68 112.18 2klo s LEU 8 Ca 0.27 -1.56 -0.22 0.00 0.02 0.00 0.00 54.13 52.64 2klo s LEU 8 Cb 0.02 0.06 0.06 0.00 0.02 0.00 0.00 46.19 46.35 2klo s LEU 8 CO 0.09 -0.86 0.60 -0.75 0.02 0.00 0.00 176.35 175.44 2klo s LYS 9 N -3.81 1.34 -0.35 1.70 2.47 -1.26 -5.13 119.74 114.71 2klo s LYS 9 Ca 0.33 -0.58 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 2klo s LYS 9 Cb 0.05 0.58 0.10 0.00 -1.46 0.00 0.00 37.83 37.10 2klo s LYS 9 CO 0.17 -0.59 0.07 0.20 0.16 0.00 0.00 175.35 175.36 2klo s GLY 10 N -2.78 1.94 0.07 5.54 0.00 -1.26 -5.09 107.32 105.75 2klo s GLY 10 Ca 0.03 -2.52 -0.05 0.00 0.00 0.00 0.00 44.72 42.18 2klo s GLY 10 CO -0.10 0.95 0.10 0.54 0.00 0.00 0.00 173.10 174.59 2klo s VAL 11 N 0.94 0.17 -1.24 1.40 0.11 -1.26 -4.91 120.40 115.62 2klo s VAL 11 Ca 0.10 -1.47 -0.07 0.00 -2.93 0.00 0.00 61.98 57.62 2klo s VAL 11 Cb -0.20 -1.44 0.05 0.00 -1.53 0.00 0.00 36.38 33.27 2klo s VAL 11 CO -0.07 -0.79 0.40 -1.20 -3.33 0.00 0.00 175.10 170.10 2klo n SER 12 N 0.01 -3.89 0.00 3.54 7.64 -1.26 -4.90 113.62 114.76 2klo n SER 12 Ca -0.14 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.48 2klo n SER 12 Cb 0.62 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 2klo n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klo n GLN 13 N -3.55 0.00 0.17 1.43 6.02 -1.26 -1.98 117.38 118.20 2klo n GLN 13 Ca -0.05 0.48 0.13 0.00 -0.01 0.00 0.00 57.00 57.55 2klo n GLN 13 Cb 0.56 -1.24 0.55 0.00 1.02 0.00 0.00 30.24 31.13 2klo n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2klo h ALA 14 N -2.00 1.00 0.12 -1.58 0.00 -2.00 -2.56 119.26 112.23 2klo h ALA 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2klo h ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2klo h ALA 14 CO 0.00 0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.44 2klo h LEU 15 N 0.00 -0.13 -1.74 0.00 7.12 -1.95 -3.17 115.31 115.45 2klo h LEU 15 Ca 0.00 -0.36 -0.03 0.00 0.13 0.00 0.00 57.88 57.62 2klo h LEU 15 Cb 0.37 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 2klo h LEU 15 CO 0.00 0.32 -0.12 -0.07 -0.13 0.00 0.00 178.44 178.44 2klo h LEU 16 N -0.62 0.01 -1.68 2.25 4.07 -0.99 -2.59 115.31 115.77 2klo h LEU 16 Ca -0.02 -0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.02 2klo h LEU 16 Cb 0.49 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 2klo h LEU 16 CO 0.03 0.14 0.35 -0.33 -1.08 0.00 0.00 178.44 177.54 2klo h GLU 17 N 0.01 0.38 0.00 1.13 4.39 -1.47 0.15 114.58 119.17 2klo h GLU 17 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2klo h GLU 17 Cb 0.22 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2klo h GLU 17 CO 0.02 0.25 0.00 2.89 -1.16 0.00 0.00 179.01 181.00 2klo n ARG 18 N -4.47 0.05 -0.04 2.33 1.85 -0.97 -2.37 116.66 113.03 2klo n ARG 18 Ca 0.08 0.32 -0.13 0.00 -1.00 0.00 0.00 57.85 57.11 2klo n ARG 18 Cb 0.30 -1.59 -0.14 0.00 -1.05 0.00 0.00 32.46 29.98 2klo n ARG 18 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2klo n ILE 19 N -1.68 1.61 -0.24 8.89 5.41 0.03 -4.21 119.36 129.17 2klo n ILE 19 Ca 0.03 -0.75 -0.06 0.00 1.00 0.00 0.00 62.75 62.96 2klo n ILE 19 Cb 0.17 -1.16 -0.06 0.00 -0.71 0.00 0.00 39.64 37.88 2klo n ILE 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2klo n ARG 20 N -3.13 -0.25 0.11 0.38 3.00 -1.00 -0.60 116.66 115.17 2klo n ARG 20 Ca -0.26 1.10 0.12 0.00 -0.00 0.00 0.00 57.85 58.81 2klo n ARG 20 Cb 1.06 -1.62 0.14 0.00 0.00 0.00 0.00 32.46 32.04 2klo n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klo h ALA 21 N 0.04 0.69 -0.61 5.13 0.00 -1.82 -3.33 119.26 119.36 2klo h ALA 21 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2klo h ALA 21 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2klo h ALA 21 CO -0.53 0.00 0.20 -0.22 0.00 0.00 0.00 179.25 178.70 2klo h LYS 22 N 0.00 0.92 0.00 0.00 3.64 -1.03 -2.68 116.57 117.42 2klo h LYS 22 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2klo h LYS 22 Cb 0.89 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2klo h LYS 22 CO 0.00 0.78 -0.15 1.05 -2.27 0.00 0.00 179.45 178.86 2klo h GLU 23 N 0.89 0.00 -0.63 1.90 -0.00 -1.37 -3.31 114.58 112.06 2klo h GLU 23 Ca 0.20 0.00 0.14 0.00 -0.00 0.00 0.00 59.36 59.70 2klo h GLU 23 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.96 2klo h GLU 23 CO -0.01 0.00 0.43 0.28 -0.00 0.00 0.00 179.01 179.71 2klo h VAL 24 N 0.00 0.80 0.00 -1.06 2.07 -1.58 0.25 116.25 116.73 2klo h VAL 24 Ca 0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2klo h VAL 24 Cb 0.84 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2klo h VAL 24 CO 0.00 0.05 -0.01 1.56 0.02 0.00 0.00 177.57 179.19 2klo h GLN 25 N 0.27 0.00 0.00 1.57 4.20 -1.70 -2.64 115.11 116.81 2klo h GLN 25 Ca 0.30 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.95 2klo h GLN 25 Cb 0.83 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2klo h GLN 25 CO -0.07 0.01 -1.99 1.63 -0.67 0.00 0.00 178.83 177.75 2klo n LYS 26 N -3.17 0.66 0.00 1.46 5.02 0.07 -4.42 118.16 117.78 2klo n LYS 26 Ca -0.02 -0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.15 2klo n LYS 26 Cb 0.15 -1.55 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2klo n LYS 26 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2klo n GLN 27 N -2.39 0.02 0.08 1.97 1.13 -0.99 -3.24 117.38 113.97 2klo n GLN 27 Ca -0.09 0.34 0.21 0.00 -1.94 0.00 0.00 57.00 55.52 2klo n GLN 27 Cb 0.68 -1.50 0.71 0.00 0.11 0.00 0.00 30.24 30.23 2klo n GLN 27 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2klo h LEU 28 N 0.00 0.00 -2.92 1.08 3.38 -1.77 0.09 115.31 115.17 2klo h LEU 28 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2klo h LEU 28 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2klo h LEU 28 CO 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.37 2klo n ALA 29 N -2.27 2.52 -3.00 1.53 0.00 -1.20 -5.06 120.51 113.02 2klo n ALA 29 Ca 0.08 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.89 2klo n ALA 29 Cb 0.71 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2klo n ALA 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2klo n ARG 30 N -1.23 0.00 -3.61 0.00 3.00 0.02 -5.16 116.66 109.68 2klo n ARG 30 Ca 0.15 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.75 2klo n ARG 30 Cb 0.66 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 32.96 2klo n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klo s MET 31 N 0.46 0.06 -0.25 -0.14 0.23 -1.26 -4.97 119.30 113.43 2klo s MET 31 Ca 0.00 -0.05 -0.03 0.00 -1.03 0.00 0.00 55.69 54.59 2klo s MET 31 Cb 0.00 -1.74 0.14 0.00 -1.53 0.00 0.00 34.83 31.70 2klo s MET 31 CO 0.00 -0.65 0.41 0.99 -2.03 0.00 0.00 175.02 173.74 2klo s THR 32 N 2.15 -0.66 -0.10 3.16 2.01 -1.26 -5.13 115.64 115.80 2klo s THR 32 Ca 0.02 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 2klo s THR 32 Cb -0.16 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2klo s THR 32 CO -0.09 -0.09 1.67 -0.13 -0.69 0.00 0.00 174.62 175.28 2klo s ARG 33 N 2.60 4.04 0.19 4.92 0.52 -1.26 -4.62 118.95 125.34 2klo s ARG 33 Ca 0.13 2.05 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 2klo s ARG 33 Cb -0.15 -4.01 0.00 0.00 0.52 0.00 0.00 34.95 31.30 2klo s ARG 33 CO -0.16 -1.01 0.00 0.00 0.02 0.00 0.00 175.30 174.15 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -1.99 -2.32 132.00 127.82 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 0.04 0.93 -0.23 0.00 0.00 178.00 178.74 2klo h GLU 36 N 0.00 0.00 -1.04 0.86 5.08 -1.92 -2.69 114.58 114.87 2klo h GLU 36 Ca 0.00 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.63 2klo h GLU 36 Cb 0.02 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 2klo h GLU 36 CO 0.00 0.00 0.65 0.37 -1.00 0.00 0.00 179.01 179.03 2klo h GLN 37 N 0.00 0.43 -0.90 2.33 4.15 -1.83 -2.81 115.11 116.48 2klo h GLN 37 Ca 0.00 -0.03 0.27 0.00 0.77 0.00 0.00 58.65 59.67 2klo h GLN 37 Cb 0.07 -0.10 -0.17 0.00 0.21 0.00 0.00 27.48 27.50 2klo h GLN 37 CO 0.00 0.28 0.11 -1.91 -1.93 0.00 0.00 178.83 175.38 2klo n GLU 38 N -4.72 -0.07 -0.37 1.69 4.07 -1.02 -0.70 120.64 119.53 2klo n GLU 38 Ca 0.26 1.33 -0.02 0.00 -0.06 0.00 0.00 57.16 58.68 2klo n GLU 38 Cb 0.86 -2.17 0.12 0.00 -0.06 0.00 0.00 31.44 30.20 2klo n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2klo h LEU 39 N 0.00 1.13 -0.10 4.31 -0.00 -1.78 0.11 115.31 118.98 2klo h LEU 39 Ca 0.59 -0.03 -0.23 0.00 -0.00 0.00 0.00 57.88 58.21 2klo h LEU 39 Cb 1.30 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.67 2klo h LEU 39 CO -0.82 0.81 -1.02 0.03 -0.00 0.00 0.00 178.44 177.44 2klo h ARG 40 N 1.33 0.26 -0.04 1.13 2.47 -1.12 -2.29 114.38 116.12 2klo h ARG 40 Ca 0.37 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2klo h ARG 40 Cb -0.14 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2klo h ARG 40 CO -0.08 1.08 0.02 -0.07 0.56 0.00 0.00 179.97 181.48 2klo h LEU 41 N 0.12 0.05 -0.48 3.04 3.38 -0.78 -1.16 115.31 119.49 2klo h LEU 41 Ca -0.08 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2klo h LEU 41 Cb 1.69 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 2klo h LEU 41 CO 0.16 0.14 0.26 1.56 0.09 0.00 0.00 178.44 180.66 2klo h GLN 42 N -0.04 0.50 -0.76 1.13 1.08 -0.84 -0.74 115.11 115.44 2klo h GLN 42 Ca 0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2klo h GLN 42 Cb 0.10 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 2klo h GLN 42 CO -0.00 0.33 0.35 0.07 -0.95 0.00 0.00 178.83 178.63 2klo h ARG 43 N 0.52 1.11 0.00 1.46 -0.00 -1.16 -1.80 114.38 114.51 2klo h ARG 43 Ca 0.20 -0.18 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2klo h ARG 43 Cb 0.07 -0.19 0.00 0.00 -0.00 0.00 0.00 29.97 29.85 2klo h ARG 43 CO -0.12 0.88 0.00 1.47 -0.00 0.00 0.00 179.97 182.20 2klo n LEU 44 N -4.36 0.48 -0.25 0.08 -0.00 -0.46 -2.68 117.00 109.80 2klo n LEU 44 Ca 0.07 0.58 0.11 0.00 -0.00 0.00 0.00 56.01 56.77 2klo n LEU 44 Cb 0.15 -0.47 0.08 0.00 -0.00 0.00 0.00 43.42 43.17 2klo n LEU 44 CO 0.40 -0.30 0.30 -0.62 -0.00 0.00 0.00 177.39 177.17 2klo n GLU 45 N -1.99 0.66 -0.03 1.47 1.02 -0.36 -4.23 120.64 117.19 2klo n GLU 45 Ca 0.04 -0.50 0.03 0.00 -0.02 0.00 0.00 57.16 56.71 2klo n GLU 45 Cb 0.30 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.36 2klo n GLU 45 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2klo n ARG 46 N -0.73 1.15 -0.23 3.49 1.85 -0.74 -4.27 116.66 117.17 2klo n ARG 46 Ca 0.08 -0.24 0.04 0.00 -1.00 0.00 0.00 57.85 56.73 2klo n ARG 46 Cb 0.39 -1.11 0.15 0.00 -1.05 0.00 0.00 32.46 30.85 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2klo h LEU 47 N 0.40 -0.06 -0.61 2.89 3.38 -1.78 -0.40 115.31 119.13 2klo h LEU 47 Ca 0.00 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2klo h LEU 47 Cb 0.09 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2klo h LEU 47 CO 0.00 -0.05 -0.26 1.55 0.09 0.00 0.00 178.44 179.77 2klo h PRO 48 N 0.23 0.00 0.60 1.13 0.13 -1.94 -2.57 132.00 129.59 2klo h PRO 48 Ca 0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.48 2klo h PRO 48 Cb 0.64 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.77 2klo h PRO 48 CO -0.50 0.26 -0.29 1.49 -0.23 0.00 0.00 178.00 178.72 2klo h GLU 49 N 0.00 -0.78 -0.75 0.86 4.57 -1.38 0.15 114.58 117.25 2klo h GLU 49 Ca -0.00 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2klo h GLU 49 Cb 0.97 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 2klo h GLU 49 CO 0.03 -0.47 0.49 -0.07 -1.18 0.00 0.00 179.01 177.81 2klo h LEU 50 N -1.00 0.83 -0.32 1.64 -0.00 -1.47 -0.84 115.31 114.14 2klo h LEU 50 Ca -0.08 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2klo h LEU 50 Cb 0.67 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 2klo h LEU 50 CO 0.14 0.59 0.19 0.00 -0.00 0.00 0.00 178.44 179.35 2klo h ALA 51 N 1.29 0.41 0.21 1.53 0.00 -1.38 -0.09 119.26 121.24 2klo h ALA 51 Ca 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2klo h ALA 51 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2klo h ALA 51 CO -0.08 -0.07 -0.14 0.00 0.00 0.00 0.00 179.25 178.96 2klo h ARG 52 N 0.41 -0.33 -0.56 0.00 3.08 -0.17 -1.44 114.38 115.37 2klo h ARG 52 Ca 0.12 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.19 2klo h ARG 52 Cb 0.04 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2klo h ARG 52 CO -0.02 -0.22 0.37 0.28 -1.07 0.00 0.00 179.97 179.31 2klo h VAL 53 N -0.34 1.14 -0.35 2.04 2.07 -1.06 -2.18 116.25 117.57 2klo h VAL 53 Ca -0.02 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.30 2klo h VAL 53 Cb 0.29 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2klo h VAL 53 CO 0.01 0.14 0.01 0.25 0.02 0.00 0.00 177.57 178.00 2klo h LEU 54 N 0.76 -0.12 -0.84 2.57 5.85 -0.78 -0.89 115.31 121.86 2klo h LEU 54 Ca 0.21 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2klo h LEU 54 Cb -0.09 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2klo h LEU 54 CO -0.05 -0.02 0.54 -0.09 -0.34 0.00 0.00 178.44 178.48 2klo h ARG 55 N 0.11 0.99 -0.88 1.25 2.43 -0.92 -1.75 114.38 115.62 2klo h ARG 55 Ca 0.17 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2klo h ARG 55 Cb 0.23 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2klo h ARG 55 CO -0.28 0.66 0.57 -0.97 -1.51 0.00 0.00 179.97 178.44 2klo h ASN 56 N 1.02 0.95 -0.05 -3.80 -1.24 -0.56 -1.33 115.58 110.57 2klo h ASN 56 Ca 0.35 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.25 2klo h ASN 56 Cb 0.06 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 38.90 2klo h ASN 56 CO -0.13 0.66 -0.34 1.62 -1.29 0.00 0.00 177.43 177.94 2klo h VAL 57 N 1.11 1.45 0.00 2.57 3.04 -0.83 -1.57 116.25 122.02 2klo h VAL 57 Ca 0.35 -1.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 2klo h VAL 57 Cb -0.01 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2klo h VAL 57 CO -0.11 0.51 0.00 -0.26 -1.01 0.00 0.00 177.57 176.70 2klo h PHE 58 N -0.22 0.00 0.14 3.17 -1.00 -1.18 0.32 116.94 118.17 2klo h PHE 58 Ca -0.03 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.40 2klo h PHE 58 Cb 1.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 2klo h PHE 58 CO 0.14 0.00 -1.87 -0.24 -1.61 0.00 0.00 178.31 174.73 2klo h VAL 59 N 0.00 0.78 -0.48 -0.55 3.04 -1.21 -3.36 116.25 114.47 2klo h VAL 59 Ca 0.00 -2.45 -0.12 0.00 -1.01 0.00 0.00 66.70 63.12 2klo h VAL 59 Cb 0.30 2.61 -0.02 0.00 -2.01 0.00 0.00 31.29 32.18 2klo h VAL 59 CO 0.00 0.86 -0.18 -1.28 -1.01 0.00 0.00 177.57 175.97 2klo h SER 60 N 0.08 0.95 0.39 3.17 0.87 -0.78 -2.77 113.55 115.47 2klo h SER 60 Ca -0.38 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2klo h SER 60 Cb 2.06 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2klo h SER 60 CO 0.13 1.10 0.00 1.21 -0.53 0.00 0.00 176.83 178.74 2klo n GLU 61 N -4.12 0.06 -0.97 2.24 4.07 0.06 -4.86 120.64 117.10 2klo n GLU 61 Ca 0.01 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 2klo n GLU 61 Cb 0.43 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 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 -1.74 -1.58 -3.68 5.31 3.00 -1.05 -4.94 116.66 111.99 2klo n ARG 62 Ca 0.02 0.39 -0.19 0.00 -0.00 0.00 0.00 57.85 58.07 2klo n ARG 62 Cb 0.13 -4.66 -0.17 0.00 0.00 0.00 0.00 32.46 27.76 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 -1.64 -0.06 0.00 -0.14 -2.85 -1.26 -5.04 119.74 108.76 2klo s LYS 63 Ca 0.00 0.37 0.27 0.00 -1.00 0.00 0.00 55.97 55.62 2klo s LYS 63 Cb 0.00 -0.45 1.54 0.00 -2.06 0.00 0.00 37.83 36.87 2klo s LYS 63 CO 0.00 -0.30 2.01 -0.35 0.10 0.00 0.00 175.35 176.80 2klo n PRO 64 N 5.14 1.11 -3.92 1.78 -0.04 -1.26 -4.70 135.00 133.11 2klo n PRO 64 Ca -0.07 -0.16 -0.28 0.00 -0.04 0.00 0.00 63.50 62.95 2klo n PRO 64 Cb 0.50 -1.44 -0.17 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.99 1.44 0.16 0.55 0.00 -1.26 -2.02 121.76 118.64 2klo s ALA 65 Ca 0.41 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.78 2klo s ALA 65 Cb 0.19 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2klo s ALA 65 CO 0.32 -0.49 -0.15 -0.51 0.00 0.00 0.00 175.76 174.93 2klo s LEU 66 N 1.66 2.47 0.67 0.00 1.43 -0.92 -4.98 118.68 119.01 2klo s LEU 66 Ca 0.04 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 2klo s LEU 66 Cb -0.13 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2klo s LEU 66 CO -0.08 -0.14 1.09 -0.89 0.23 0.00 0.00 176.35 176.56 2klo s THR 67 N -2.47 3.40 0.21 5.49 2.01 -1.26 -0.46 115.64 122.55 2klo s THR 67 Ca 0.15 0.60 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 2klo s THR 67 Cb -0.03 -3.13 0.14 0.00 0.01 0.00 0.00 72.50 69.48 2klo s THR 67 CO 0.05 -0.45 1.75 -0.03 -0.69 0.00 0.00 174.62 175.25 2klo h MET 68 N -0.15 0.41 -0.58 4.92 4.05 -1.14 -1.88 114.93 120.57 2klo h MET 68 Ca -0.46 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 58.99 2klo h MET 68 Cb 1.24 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.89 2klo h MET 68 CO 0.54 0.27 0.30 1.49 0.23 0.00 0.00 176.91 179.74 2klo h GLU 69 N 0.43 0.55 0.74 0.39 4.81 -1.92 -1.37 114.58 118.20 2klo h GLU 69 Ca 0.30 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2klo h GLU 69 Cb 0.35 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.62 2klo h GLU 69 CO -0.29 0.36 -0.36 0.28 -0.73 0.00 0.00 179.01 178.27 2klo h VAL 70 N 0.56 0.00 -0.93 0.32 2.07 -1.73 -0.20 116.25 116.35 2klo h VAL 70 Ca 0.26 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.89 2klo h VAL 70 Cb 0.18 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.88 2klo h VAL 70 CO -0.18 0.00 0.59 1.62 0.02 0.00 0.00 177.57 179.62 2klo h VAL 71 N -1.03 0.84 0.01 2.57 3.04 -1.34 -0.75 116.25 119.59 2klo h VAL 71 Ca -0.10 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2klo h VAL 71 Cb 0.77 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2klo h VAL 71 CO 0.17 0.14 -0.01 0.00 -1.01 0.00 0.00 177.57 176.86 2klo h ALA 73 N -1.99 2.62 -0.37 0.00 0.00 -0.91 0.12 119.26 118.73 2klo h ALA 73 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2klo h ALA 73 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2klo h ALA 73 CO 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 179.25 178.14 2klo h ARG 74 N 0.14 0.81 0.05 0.00 2.47 -1.12 -2.09 114.38 114.63 2klo h ARG 74 Ca 0.44 -0.37 -0.32 0.00 -1.26 0.00 0.00 59.98 58.47 2klo h ARG 74 Cb 1.53 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.80 2klo h ARG 74 CO -0.07 1.00 -1.83 -0.12 0.56 0.00 0.00 179.97 179.51 2klo n MET 75 N -4.24 0.68 -0.12 0.04 1.56 -0.44 -4.08 117.12 110.52 2klo n MET 75 Ca -0.02 0.28 -0.10 0.00 -0.27 0.00 0.00 57.70 57.59 2klo n MET 75 Cb 0.44 -1.76 -0.02 0.00 2.15 0.00 0.00 33.22 34.04 2klo n MET 75 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2klo h VAL 76 N 0.03 1.22 0.00 1.12 2.07 -0.91 -2.68 116.25 117.09 2klo h VAL 76 Ca -0.34 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2klo h VAL 76 Cb 2.03 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2klo h VAL 76 CO 0.08 0.25 -0.04 -0.78 0.02 0.00 0.00 177.57 177.10 2klo h ASP 77 N 0.44 0.00 0.10 0.57 3.58 -1.55 -1.85 116.42 117.70 2klo h ASP 77 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2klo h ASP 77 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2klo h ASP 77 CO -0.00 0.04 0.00 -1.20 -2.88 0.00 0.00 179.24 175.20 2klo n SER 78 N -3.22 0.00 0.00 2.28 7.64 -1.01 -3.36 113.62 115.95 2klo n SER 78 Ca -0.01 -0.28 0.09 0.00 1.01 0.00 0.00 58.87 59.67 2klo n SER 78 Cb 0.23 -0.10 0.48 0.00 -1.01 0.00 0.00 64.21 63.80 2klo n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klo n GLN 80 N -1.17 1.79 0.00 0.00 10.64 -1.21 -4.22 117.38 123.21 2klo n GLN 80 Ca 0.10 -2.04 0.00 0.00 -1.83 0.00 0.00 57.00 53.24 2klo n GLN 80 Cb 0.11 -3.03 0.00 0.00 -0.86 0.00 0.00 30.24 26.46 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 5.91 0.00 -2.69 -0.39 5.66 -1.26 -5.09 114.28 116.42 2klo n THR 81 Ca 0.50 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.46 2klo n THR 81 Cb 0.40 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.30 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 2.27 -2.20 1.79 0.00 -1.26 -5.13 120.51 112.98 2klo n ALA 82 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 53.44 52.00 2klo n ALA 82 Cb 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.70 1.50 0.25 0.00 0.05 -1.26 -5.17 118.68 110.34 2klo s LEU 83 Ca 0.16 -1.26 -0.02 0.00 0.05 0.00 0.00 54.13 53.06 2klo s LEU 83 Cb 0.42 0.38 -0.04 0.00 -2.05 0.00 0.00 46.19 44.90 2klo s LEU 83 CO -0.10 -0.78 0.46 -0.94 -0.55 0.00 0.00 176.35 174.44 2klo s SER 84 N -3.09 6.39 0.48 1.48 1.04 -1.26 -4.93 113.70 113.82 2klo s SER 84 Ca 0.29 0.50 0.21 0.00 0.48 0.00 0.00 55.95 57.44 2klo s SER 84 Cb 0.07 -2.05 1.24 0.00 0.10 0.00 0.00 66.02 65.37 2klo s SER 84 CO 0.05 -0.13 2.03 1.55 0.98 0.00 0.00 173.24 177.73 2klo h PRO 85 N 1.72 0.00 -0.08 4.02 0.13 -1.93 -2.28 132.00 133.58 2klo h PRO 85 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2klo h PRO 85 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2klo h PRO 85 CO 0.66 0.16 -0.25 0.78 -0.23 0.00 0.00 178.00 179.12 2klo h GLY 86 N 0.70 0.15 1.81 1.56 0.00 -1.99 -1.17 103.07 104.12 2klo h GLY 86 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2klo h GLY 86 CO 0.02 0.10 -0.26 0.83 0.00 0.00 0.00 176.54 177.23 2klo h GLU 87 N 0.13 0.22 0.08 4.80 5.08 -1.81 -0.20 114.58 122.89 2klo h GLU 87 Ca 0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2klo h GLU 87 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2klo h GLU 87 CO 0.04 0.47 -0.04 1.98 -1.00 0.00 0.00 179.01 180.46 2klo h MET 88 N 0.20 -0.11 -0.78 2.33 4.05 -1.26 -2.23 114.93 117.13 2klo h MET 88 Ca 0.03 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2klo h MET 88 Cb 0.57 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.34 2klo h MET 88 CO 0.04 -0.01 0.50 0.93 0.23 0.00 0.00 176.91 178.60 2klo h GLU 89 N -0.18 0.94 -0.74 0.39 5.08 -1.07 -0.74 114.58 118.26 2klo h GLU 89 Ca -0.01 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2klo h GLU 89 Cb 0.15 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2klo h GLU 89 CO 0.02 0.62 0.49 0.87 -1.00 0.00 0.00 179.01 180.00 2klo h LYS 90 N 0.97 0.76 -0.03 2.33 1.79 -0.77 -0.85 116.57 120.76 2klo h LYS 90 Ca 0.31 -0.05 -0.20 0.00 -2.18 0.00 0.00 60.65 58.54 2klo h LYS 90 Cb 0.02 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 2klo h LYS 90 CO -0.12 0.50 -0.82 0.45 -1.08 0.00 0.00 179.45 178.39 2klo h HIS 91 N 0.78 0.47 0.12 -1.35 3.86 -0.56 -1.58 115.15 116.89 2klo h HIS 91 Ca 0.32 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2klo h HIS 91 Cb 0.24 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2klo h HIS 91 CO -0.00 1.01 -0.08 -0.07 0.86 0.00 0.00 177.93 179.65 2klo h LEU 92 N 0.20 -0.21 -0.20 2.43 3.38 -0.37 -1.43 115.31 119.10 2klo h LEU 92 Ca -0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2klo h LEU 92 Cb 1.42 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2klo h LEU 92 CO 0.14 -0.13 -0.10 1.62 0.09 0.00 0.00 178.44 180.05 2klo h VAL 93 N -0.20 1.31 -0.57 1.22 3.04 -1.36 -2.70 116.25 116.98 2klo h VAL 93 Ca -0.01 -1.16 0.05 0.00 -1.01 0.00 0.00 66.70 64.58 2klo h VAL 93 Cb 0.18 1.63 -0.05 0.00 -2.01 0.00 0.00 31.29 31.04 2klo h VAL 93 CO -0.00 0.35 0.30 0.17 -1.01 0.00 0.00 177.57 177.38 2klo h LEU 94 N 0.13 0.43 0.30 3.16 8.10 -1.22 -0.45 115.31 125.76 2klo h LEU 94 Ca 0.05 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 2klo h LEU 94 Cb 0.59 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2klo h LEU 94 CO 0.03 0.29 -0.14 -0.07 -4.11 0.00 0.00 178.44 174.44 2klo h LEU 95 N 0.57 -0.34 -2.36 0.17 3.38 -1.27 -0.28 115.31 115.18 2klo h LEU 95 Ca 0.25 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2klo h LEU 95 Cb 0.16 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2klo h LEU 95 CO -0.17 -0.18 0.03 0.00 0.09 0.00 0.00 178.44 178.22 2klo h ALA 96 N 0.20 1.65 0.18 1.53 0.00 -1.13 -0.13 119.26 121.57 2klo h ALA 96 Ca -0.04 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 2klo h ALA 96 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.18 2klo h ALA 96 CO 0.07 -0.05 -1.08 1.49 0.00 0.00 0.00 179.25 179.67 2klo h GLU 97 N 0.00 0.39 0.00 0.00 4.57 -0.63 -2.87 114.58 116.04 2klo h GLU 97 Ca 0.02 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 2klo h GLU 97 Cb 0.08 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2klo h GLU 97 CO -0.00 1.32 -0.04 1.28 -1.18 0.00 0.00 179.01 180.39 2klo n LEU 98 N -3.97 0.74 -2.81 1.64 4.77 -0.16 -4.48 117.00 112.74 2klo n LEU 98 Ca -0.15 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 2klo n LEU 98 Cb 0.93 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2klo n LEU 98 CO 0.53 -0.16 0.15 0.00 -1.33 0.00 0.00 177.39 176.57 2klo n LEU 99 N -2.19 -2.41 0.19 2.23 -0.00 -0.10 -4.95 117.00 109.77 2klo n LEU 99 Ca 0.06 -3.55 0.14 0.00 -0.00 0.00 0.00 56.01 52.65 2klo n LEU 99 Cb 0.42 0.82 0.64 0.00 -0.00 0.00 0.00 43.42 45.31 2klo n LEU 99 CO 0.30 2.02 0.91 1.55 -0.00 0.00 0.00 177.39 182.18 2klo h PRO 100 N 3.88 0.00 0.00 1.47 0.13 -1.71 -1.61 132.00 134.16 2klo h PRO 100 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2klo h PRO 100 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2klo h PRO 100 CO 0.33 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.32 2klo h ASP 101 N 0.00 0.00 0.00 1.44 3.58 -1.95 -3.32 116.42 116.18 2klo h ASP 101 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2klo h ASP 101 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2klo h ASP 101 CO 0.00 0.00 -0.65 -0.25 -2.88 0.00 0.00 179.24 175.46 2klo h TRP 102 N 0.00 0.00 -3.28 0.28 7.01 -1.67 -3.45 115.95 114.84 2klo h TRP 102 Ca 0.00 0.00 -0.63 0.00 2.11 0.00 0.00 58.89 60.37 2klo h TRP 102 Cb 0.67 0.00 -0.18 0.00 -2.10 0.00 0.00 29.16 27.55 2klo h TRP 102 CO 0.00 0.47 -0.61 -1.17 -2.79 0.00 0.00 178.44 174.34 2klo s LEU 103 N -8.16 3.59 0.15 0.65 2.96 -1.15 -2.18 118.68 114.54 2klo s LEU 103 Ca -0.17 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2klo s LEU 103 Cb 0.03 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2klo s LEU 103 CO 0.32 0.20 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.94 2klo s SER 104 N 0.23 1.45 -0.14 3.68 0.15 -0.14 -4.53 113.70 114.40 2klo s SER 104 Ca 0.01 -1.07 0.02 0.00 0.70 0.00 0.00 55.95 55.61 2klo s SER 104 Cb -0.13 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.25 2klo s SER 104 CO 0.01 -0.45 -0.21 -0.76 1.20 0.00 0.00 173.24 173.04 2klo s LEU 105 N -3.15 2.05 -0.32 3.45 1.43 -1.26 -1.63 118.68 119.25 2klo s LEU 105 Ca 0.18 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2klo s LEU 105 Cb 0.05 -1.39 0.09 0.00 0.03 0.00 0.00 46.19 44.96 2klo s LEU 105 CO 0.01 0.06 0.02 -1.00 0.23 0.00 0.00 176.35 175.67 2klo s HIS 106 N 0.88 3.66 -0.30 0.29 3.76 0.02 -5.00 115.29 118.60 2klo s HIS 106 Ca -0.06 -2.85 -0.27 0.00 -0.15 0.00 0.00 55.06 51.72 2klo s HIS 106 Cb -0.15 -2.71 0.01 0.00 1.11 0.00 0.00 32.58 30.84 2klo s HIS 106 CO -0.03 -0.93 0.99 0.50 -0.85 0.00 0.00 174.74 174.41 2klo s ARG 107 N 0.95 4.08 0.13 1.40 3.00 -1.26 -0.77 118.95 126.47 2klo s ARG 107 Ca 0.07 1.00 0.04 0.00 -1.00 0.00 0.00 55.73 55.83 2klo s ARG 107 Cb -0.19 -3.71 -0.04 0.00 0.00 0.00 0.00 34.95 31.01 2klo s ARG 107 CO -0.07 -0.78 0.11 0.42 0.00 0.00 0.00 175.30 174.98 2klo s ILE 108 N 3.36 4.49 0.53 4.11 -1.09 0.50 -4.97 121.20 128.14 2klo s ILE 108 Ca 0.41 -0.94 0.28 0.00 -2.23 0.00 0.00 60.65 58.17 2klo s ILE 108 Cb -0.13 -3.23 0.43 0.00 -1.58 0.00 0.00 42.46 37.94 2klo s ILE 108 CO 0.13 -0.00 1.95 0.03 -1.23 0.00 0.00 174.94 175.82 2klo h ARG 109 N 2.82 0.00 0.23 2.79 3.08 -2.03 -0.47 114.38 120.79 2klo h ARG 109 Ca -0.47 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.24 2klo h ARG 109 Cb 1.18 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.26 2klo h ARG 109 CO 0.64 0.00 -1.56 0.00 -1.07 0.00 0.00 179.97 177.98 2klo h THR 110 N 0.00 1.18 0.00 2.04 1.03 -2.01 -3.50 112.91 111.65 2klo h THR 110 Ca 0.32 -2.66 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 2klo h THR 110 Cb 1.28 2.95 0.00 0.00 -1.07 0.00 0.00 68.15 71.31 2klo h THR 110 CO -0.00 0.83 0.00 -0.67 -0.01 0.00 0.00 175.52 175.67 2klo n ASP 111 N -3.66 0.00 -4.84 0.00 -0.08 -0.19 -5.17 116.55 102.62 2klo n ASP 111 Ca -0.19 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.74 2klo n ASP 111 Cb 1.09 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.49 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 -2.00 4.72 0.11 5.18 2.01 -1.26 -0.37 115.64 124.02 2klo s THR 112 Ca 0.00 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.02 2klo s THR 112 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2klo s THR 112 CO 0.00 0.10 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.65 2klo s TYR 113 N -1.64 0.98 0.14 4.92 1.51 0.05 -0.57 117.35 122.75 2klo s TYR 113 Ca 0.44 -0.82 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 2klo s TYR 113 Cb -0.14 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 2klo s TYR 113 CO 0.20 -0.07 -0.10 0.08 -1.11 0.00 0.00 175.55 174.55 2klo s VAL 114 N -3.25 3.29 -0.04 0.71 1.01 0.39 -0.80 120.40 121.71 2klo s VAL 114 Ca 0.11 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.66 2klo s VAL 114 Cb 0.03 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2klo s VAL 114 CO -0.03 0.02 -0.03 -0.54 0.00 0.00 0.00 175.10 174.52 2klo s LYS 115 N -2.47 0.67 0.24 2.72 -0.14 -0.64 -2.17 119.74 117.94 2klo s LYS 115 Ca 0.23 -0.04 0.10 0.00 -1.36 0.00 0.00 55.97 54.90 2klo s LYS 115 Cb -0.10 -0.76 -0.05 0.00 -1.68 0.00 0.00 37.83 35.24 2klo s LYS 115 CO 0.14 -0.12 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.27 2klo s LEU 116 N 1.05 2.57 -0.38 3.17 1.98 -0.86 -0.97 118.68 125.24 2klo s LEU 116 Ca -0.09 -1.01 0.02 0.00 -2.89 0.00 0.00 54.13 50.16 2klo s LEU 116 Cb -0.14 -0.90 0.11 0.00 0.66 0.00 0.00 46.19 45.92 2klo s LEU 116 CO -0.01 -0.06 0.13 -0.62 -1.89 0.00 0.00 176.35 173.91 2klo s ASP 117 N -3.37 4.31 0.15 3.68 -1.08 -0.93 -4.85 116.67 114.59 2klo s ASP 117 Ca 0.26 -2.26 0.18 0.00 -0.52 0.00 0.00 52.55 50.20 2klo s ASP 117 Cb -0.03 -1.34 0.78 0.00 -1.46 0.00 0.00 42.92 40.87 2klo s ASP 117 CO 0.11 -0.34 1.54 0.29 0.52 0.00 0.00 175.17 177.29 2klo n LYS 118 N 4.07 0.10 -0.05 4.34 5.02 -1.26 -3.18 118.16 127.20 2klo n LYS 118 Ca 0.03 0.40 -0.16 0.00 -2.02 0.00 0.00 58.31 56.57 2klo n LYS 118 Cb 0.39 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2klo h ALA 119 N 2.28 0.41 -1.86 7.82 0.00 -2.01 -3.46 119.26 122.44 2klo h ALA 119 Ca 0.00 -0.55 -0.65 0.00 0.00 0.00 0.00 54.91 53.71 2klo h ALA 119 Cb 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.03 2klo h ALA 119 CO 0.00 0.68 0.58 0.28 0.00 0.00 0.00 179.25 180.80 2klo n VAL 120 N -3.97 0.02 -1.81 0.00 0.31 -1.19 -4.84 118.33 106.84 2klo n VAL 120 Ca -0.06 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 2klo n VAL 120 Cb 0.68 -1.07 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 2klo n VAL 120 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2klo s ASP 121 N 0.79 5.84 0.52 4.52 1.01 -1.26 -4.87 116.67 123.22 2klo s ASP 121 Ca 0.83 1.76 0.17 0.00 0.71 0.00 0.00 52.55 56.02 2klo s ASP 121 Cb -0.87 -2.52 1.28 0.00 1.01 0.00 0.00 42.92 41.81 2klo s ASP 121 CO 0.45 -1.67 2.13 0.25 0.21 0.00 0.00 175.17 176.54 2klo h LEU 122 N 13.63 0.01 -0.81 1.23 7.12 -1.94 -2.24 115.31 132.31 2klo h LEU 122 Ca -0.39 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.69 2klo h LEU 122 Cb 1.20 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.27 2klo h LEU 122 CO 0.99 0.00 0.48 0.00 -0.13 0.00 0.00 178.44 179.78 2klo h ALA 123 N 1.97 1.11 -0.47 1.25 0.00 -1.99 0.28 119.26 121.41 2klo h ALA 123 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2klo h ALA 123 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2klo h ALA 123 CO -0.00 0.19 -0.20 0.78 0.00 0.00 0.00 179.25 180.01 2klo h GLY 124 N 0.87 1.02 0.60 0.00 0.00 -1.81 -2.34 103.07 101.41 2klo h GLY 124 Ca 0.36 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2klo h GLY 124 CO -0.19 0.81 -0.08 1.41 0.00 0.00 0.00 176.54 178.49 2klo h LEU 125 N 0.82 -0.20 -0.69 3.11 3.38 -1.24 -2.23 115.31 118.27 2klo h LEU 125 Ca 0.11 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 57.92 2klo h LEU 125 Cb 0.76 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 2klo h LEU 125 CO 0.06 0.21 0.23 0.74 0.09 0.00 0.00 178.44 179.77 2klo h THR 126 N -0.64 0.66 0.43 0.22 2.02 -0.50 0.42 112.91 115.52 2klo h THR 126 Ca -0.02 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2klo h THR 126 Cb 0.47 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2klo h THR 126 CO 0.04 0.07 -0.25 0.00 0.37 0.00 0.00 175.52 175.75 2klo h ALA 127 N 1.51 -1.12 -0.65 6.16 0.00 -1.39 -1.01 119.26 122.76 2klo h ALA 127 Ca 0.37 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2klo h ALA 127 Cb 0.55 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2klo h ALA 127 CO -0.40 -1.09 0.43 0.07 0.00 0.00 0.00 179.25 178.26 2klo h ARG 128 N -0.63 0.55 0.73 0.00 0.11 -1.14 -0.20 114.38 113.79 2klo h ARG 128 Ca -0.06 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 2klo h ARG 128 Cb 0.50 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.46 2klo h ARG 128 CO 0.07 0.36 -0.35 -0.07 0.10 0.00 0.00 179.97 180.09 2klo h LEU 129 N 0.57 -0.83 0.00 0.08 3.38 -0.82 -2.98 115.31 114.71 2klo h LEU 129 Ca 0.29 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2klo h LEU 129 Cb 0.40 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2klo h LEU 129 CO -0.09 -0.48 0.00 0.00 0.09 0.00 0.00 178.44 177.96 2klo n ALA 130 N -2.65 1.58 0.17 1.53 0.00 -0.39 -3.23 120.51 117.52 2klo n ALA 130 Ca -0.13 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.29 2klo n ALA 130 Cb 0.40 -1.20 0.34 0.00 0.00 0.00 0.00 19.45 18.98 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 0.02 -6.76 0.00 6.17 -0.87 -3.48 115.15 110.24 2klo h HIS 131 Ca 0.00 -0.01 -0.50 0.00 0.71 0.00 0.00 60.37 60.58 2klo h HIS 131 Cb 0.21 -0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.14 2klo h HIS 131 CO 0.00 0.40 -1.07 0.72 0.71 0.00 0.00 177.93 178.69 2klo n HIS 132 N -4.08 -1.96 -0.05 5.26 8.25 -1.20 -4.94 115.22 116.50 2klo n HIS 132 Ca -0.02 0.73 -0.09 0.00 -0.26 0.00 0.00 57.72 58.08 2klo n HIS 132 Cb 0.42 -2.79 -0.03 0.00 1.12 0.00 0.00 29.99 28.70 2klo n HIS 132 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2klo n VAL 133 N -2.97 0.51 -0.96 1.59 0.24 -1.26 -4.75 118.33 110.73 2klo n VAL 133 Ca -0.29 -0.14 0.09 0.00 -2.04 0.00 0.00 64.34 61.96 2klo n VAL 133 Cb 0.67 -1.47 0.22 0.00 -1.47 0.00 0.00 33.84 31.79 2klo n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2klo n HIS 134 N -3.29 0.63 -2.91 6.34 -0.00 -1.26 -5.02 115.22 109.71 2klo n HIS 134 Ca -0.18 -0.89 -0.21 0.00 -0.00 0.00 0.00 57.72 56.44 2klo n HIS 134 Cb 0.64 -0.25 0.08 0.00 -0.00 0.00 0.00 29.99 30.46 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 -2.73 4.43 0.00 1.59 0.00 -1.26 -5.06 121.76 118.73 2klo s ALA 135 Ca 0.38 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2klo s ALA 135 Cb 0.31 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2klo s ALA 135 CO 0.07 -1.08 0.00 -0.85 0.00 0.00 0.00 175.76 173.90 2klo n GLU 136 N -2.44 3.54 -1.28 0.00 0.00 -1.26 -5.07 120.64 114.12 2klo n GLU 136 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 2klo n GLU 136 Cb 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 31.44 31.69 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2klo n GLY 137 N 0.23 0.62 0.00 -1.84 0.00 -1.26 -5.23 105.19 97.71 2klo n GLY 137 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.74 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36