#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 0.44 0.06 0.55 0.00 -1.26 -5.19 121.76 116.36 2klo s ALA 2 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 2klo s ALA 2 Cb 0.00 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.01 2klo s ALA 2 CO 0.00 -0.57 0.25 0.00 0.00 0.00 0.00 175.76 175.43 2klo s ALA 3 N -4.01 -0.48 0.46 0.00 0.00 -1.26 -5.18 121.76 111.29 2klo s ALA 3 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 2klo s ALA 3 Cb 0.05 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 2klo s ALA 3 CO 0.01 -0.43 0.71 -1.54 0.00 0.00 0.00 175.76 174.51 2klo s SER 4 N -2.29 5.99 0.79 0.00 1.04 -1.26 -5.08 113.70 112.89 2klo s SER 4 Ca -0.02 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.83 2klo s SER 4 Cb 0.00 -1.82 0.07 0.00 0.10 0.00 0.00 66.02 64.37 2klo s SER 4 CO -0.06 -0.64 1.09 -2.16 0.98 0.00 0.00 173.24 172.45 2klo s PRO 5 N -4.61 2.08 0.36 4.02 0.04 -1.26 -5.06 135.00 130.58 2klo s PRO 5 Ca 0.47 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.65 2klo s PRO 5 Cb -0.10 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2klo s PRO 5 CO 0.40 -1.73 0.18 -1.54 0.04 0.00 0.00 177.00 174.35 2klo s SER 6 N -3.45 4.68 0.21 6.66 1.04 -1.26 -5.15 113.70 116.43 2klo s SER 6 Ca 0.61 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 56.09 2klo s SER 6 Cb -0.17 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2klo s SER 6 CO 0.56 -0.39 0.43 0.00 0.98 0.00 0.00 173.24 174.82 2klo s ALA 7 N -2.46 -0.31 -0.11 5.32 0.00 -1.26 -5.15 121.76 117.79 2klo s ALA 7 Ca 0.40 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2klo s ALA 7 Cb -0.01 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.12 2klo s ALA 7 CO 0.23 -0.78 0.04 -0.51 0.00 0.00 0.00 175.76 174.74 2klo s LEU 8 N -2.97 0.53 0.00 0.00 1.02 -1.26 -5.13 118.68 110.87 2klo s LEU 8 Ca 0.18 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.04 2klo s LEU 8 Cb 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 46.19 45.86 2klo s LEU 8 CO 0.04 -0.26 0.00 1.17 0.02 0.00 0.00 176.35 177.32 2klo n LYS 9 N 5.20 0.00 -0.82 1.70 3.00 -1.26 -5.09 118.16 120.88 2klo n LYS 9 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2klo n LYS 9 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 2klo n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2klo n GLY 10 N 0.00 -0.04 3.65 3.14 0.00 -1.26 -5.10 105.19 105.58 2klo n GLY 10 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.70 3.92 -0.49 1.61 0.11 -1.26 -5.04 120.40 118.55 2klo s VAL 11 Ca 0.00 -0.76 0.24 0.00 -2.93 0.00 0.00 61.98 58.52 2klo s VAL 11 Cb 0.00 -2.76 0.26 0.00 -1.53 0.00 0.00 36.38 32.35 2klo s VAL 11 CO 0.00 0.32 1.55 0.77 -3.33 0.00 0.00 175.10 174.41 2klo h SER 12 N 4.20 0.00 0.01 3.54 4.64 -2.01 -3.33 113.55 120.60 2klo h SER 12 Ca -0.48 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2klo h SER 12 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2klo h SER 12 CO 0.56 0.01 -0.04 -0.61 -0.87 0.00 0.00 176.83 175.88 2klo h GLN 13 N 0.00 -0.08 0.00 4.77 -0.00 -1.99 -0.10 115.11 117.71 2klo h GLN 13 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2klo h GLN 13 Cb 0.93 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.43 2klo h GLN 13 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 178.83 178.78 2klo n ALA 14 N -2.20 1.25 -0.11 3.38 0.00 -1.25 -1.05 120.51 120.52 2klo n ALA 14 Ca -0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2klo n ALA 14 Cb 0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.45 1.90 -0.11 0.00 7.99 -0.44 -4.55 117.00 120.34 2klo n LEU 15 Ca 0.01 0.40 -0.06 0.00 -0.01 0.00 0.00 56.01 56.36 2klo n LEU 15 Cb 0.05 -0.88 0.02 0.00 -0.11 0.00 0.00 43.42 42.50 2klo n LEU 15 CO 0.04 0.28 0.94 -0.07 -1.51 0.00 0.00 177.39 177.07 2klo h LEU 16 N -1.00 0.12 -2.12 2.23 3.38 -0.17 -2.69 115.31 115.06 2klo h LEU 16 Ca -0.43 0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.67 2klo h LEU 16 Cb 1.33 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2klo h LEU 16 CO -0.26 0.10 0.28 1.05 0.09 0.00 0.00 178.44 179.70 2klo h GLU 17 N 0.27 0.00 0.00 1.13 4.11 -1.35 -1.35 114.58 117.40 2klo h GLU 17 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2klo h GLU 17 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2klo h GLU 17 CO -0.19 0.00 -0.39 0.54 0.07 0.00 0.00 179.01 179.04 2klo n ARG 18 N -3.91 0.02 -0.07 1.06 1.74 -1.01 -4.10 116.66 110.38 2klo n ARG 18 Ca 0.04 0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.06 2klo n ARG 18 Cb 0.43 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2klo n ARG 18 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2klo h ILE 19 N 0.00 0.85 0.16 0.55 2.04 -1.31 0.26 117.51 120.06 2klo h ILE 19 Ca 0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2klo h ILE 19 Cb 0.52 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2klo h ILE 19 CO 0.00 0.03 -0.08 -0.09 0.00 0.00 0.00 178.15 178.01 2klo h ARG 20 N 0.14 -0.21 -0.48 2.37 9.65 -1.76 -2.36 114.38 121.73 2klo h ARG 20 Ca 0.13 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 2klo h ARG 20 Cb 0.15 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 2klo h ARG 20 CO -0.18 -0.12 0.32 0.00 2.80 0.00 0.00 179.97 182.79 2klo h ALA 21 N 0.59 1.80 -0.32 2.80 0.00 -1.59 -1.74 119.26 120.80 2klo h ALA 21 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2klo h ALA 21 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2klo h ALA 21 CO 0.04 0.14 -0.28 0.87 0.00 0.00 0.00 179.25 180.01 2klo h LYS 22 N 0.52 0.66 -0.17 0.00 1.57 -0.16 -2.84 116.57 116.15 2klo h LYS 22 Ca 0.20 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2klo h LYS 22 Cb 0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2klo h LYS 22 CO -0.05 0.87 -0.55 0.93 -0.57 0.00 0.00 179.45 180.07 2klo h GLU 23 N 0.57 0.51 -0.22 3.15 5.08 -0.82 -2.89 114.58 119.95 2klo h GLU 23 Ca 0.07 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2klo h GLU 23 Cb 0.77 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2klo h GLU 23 CO 0.06 0.93 0.15 0.28 -1.00 0.00 0.00 179.01 179.43 2klo h VAL 24 N 0.39 1.02 0.00 3.13 2.07 -1.15 -0.43 116.25 121.28 2klo h VAL 24 Ca 0.01 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2klo h VAL 24 Cb 1.09 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2klo h VAL 24 CO 0.10 0.04 -0.18 1.56 0.02 0.00 0.00 177.57 179.12 2klo h GLN 25 N 0.23 0.00 -0.15 1.57 1.08 -1.36 -2.94 115.11 113.55 2klo h GLN 25 Ca 0.09 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2klo h GLN 25 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2klo h GLN 25 CO -0.02 0.18 -0.26 0.87 -0.95 0.00 0.00 178.83 178.65 2klo h LYS 26 N 0.00 0.26 0.00 1.46 1.79 -1.03 -2.59 116.57 116.46 2klo h LYS 26 Ca -0.00 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2klo h LYS 26 Cb 0.91 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2klo h LYS 26 CO 0.02 0.51 -0.11 1.96 -1.08 0.00 0.00 179.45 180.75 2klo h GLN 27 N 0.24 0.00 0.00 3.15 4.20 -1.55 -1.39 115.11 119.76 2klo h GLN 27 Ca 0.04 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2klo h GLN 27 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2klo h GLN 27 CO 0.04 0.11 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.92 2klo h LEU 28 N 0.00 0.00 0.00 1.46 3.38 -1.58 -3.46 115.31 115.10 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 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2klo h LEU 28 CO 0.01 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.86 2klo n ALA 29 N -2.32 0.00 -2.53 1.53 0.00 -0.53 -4.92 120.51 111.74 2klo n ALA 29 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 2klo n ALA 29 Cb 0.43 -0.72 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 2klo n ALA 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2klo s ARG 30 N -0.82 3.17 -0.07 0.00 1.70 -1.26 -5.12 118.95 116.56 2klo s ARG 30 Ca 0.00 -0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 54.10 2klo s ARG 30 Cb 0.00 -2.78 0.10 0.00 -0.57 0.00 0.00 34.95 31.70 2klo s ARG 30 CO 0.00 0.07 1.35 0.00 -1.08 0.00 0.00 175.30 175.64 2klo s MET 31 N -4.21 0.14 0.12 3.89 0.23 -1.26 -5.03 119.30 113.17 2klo s MET 31 Ca 0.44 -0.09 -0.09 0.00 -1.03 0.00 0.00 55.69 54.91 2klo s MET 31 Cb -0.10 0.04 -0.00 0.00 -1.53 0.00 0.00 34.83 33.24 2klo s MET 31 CO 0.32 -0.07 0.24 -0.08 -2.03 0.00 0.00 175.02 173.40 2klo s THR 32 N -2.02 0.11 0.11 3.16 -1.32 -1.26 -5.19 115.64 109.23 2klo s THR 32 Ca 0.29 -1.20 -0.25 0.00 -1.21 0.00 0.00 61.69 59.33 2klo s THR 32 Cb 0.01 -1.49 0.08 0.00 -1.51 0.00 0.00 72.50 69.58 2klo s THR 32 CO -0.03 -0.51 0.66 0.00 -2.21 0.00 0.00 174.62 172.54 2klo s ARG 33 N -3.89 1.17 0.24 7.08 1.70 -1.26 -5.09 118.95 118.90 2klo s ARG 33 Ca 0.09 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 2klo s ARG 33 Cb 0.04 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 2klo s ARG 33 CO -0.07 -0.50 0.00 0.00 -1.08 0.00 0.00 175.30 173.65 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.07 -2.31 132.00 127.75 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 0.00 -1.91 -0.23 0.00 0.00 178.00 175.86 2klo n GLU 36 N -2.47 0.11 -0.14 0.86 4.07 -1.26 -3.51 120.64 118.30 2klo n GLU 36 Ca -0.00 0.22 0.27 0.00 -0.06 0.00 0.00 57.16 57.58 2klo n GLU 36 Cb 0.12 -1.50 0.71 0.00 -0.06 0.00 0.00 31.44 30.72 2klo n GLU 36 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2klo h GLN 37 N 0.00 0.01 -0.20 5.31 3.07 -1.83 -0.79 115.11 120.68 2klo h GLN 37 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.80 2klo h GLN 37 Cb 0.15 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 2klo h GLN 37 CO 0.00 0.01 0.24 1.05 0.09 0.00 0.00 178.83 180.21 2klo h GLU 38 N 0.01 0.00 -0.78 0.06 4.11 -1.86 0.43 114.58 116.55 2klo h GLU 38 Ca 0.39 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.84 2klo h GLU 38 Cb 1.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 2klo h GLU 38 CO -0.01 0.00 0.51 1.37 0.07 0.00 0.00 179.01 180.95 2klo h LEU 39 N 0.00 0.86 0.18 3.06 8.10 -1.44 0.13 115.31 126.20 2klo h LEU 39 Ca 0.10 -0.01 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 2klo h LEU 39 Cb 0.57 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2klo h LEU 39 CO -0.00 0.61 -0.09 0.03 -4.11 0.00 0.00 178.44 174.88 2klo h ARG 40 N 1.02 -0.23 -0.29 0.17 -0.00 -1.11 -2.35 114.38 111.59 2klo h ARG 40 Ca 0.30 0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.86 2klo h ARG 40 Cb -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 29.97 29.89 2klo h ARG 40 CO -0.08 0.15 -0.24 -0.07 0.00 0.00 0.00 179.97 179.73 2klo h LEU 41 N -0.69 -0.78 -0.84 3.04 3.38 -1.21 -1.73 115.31 116.47 2klo h LEU 41 Ca -0.02 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2klo h LEU 41 Cb 0.49 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2klo h LEU 41 CO 0.04 -0.27 0.53 -0.61 0.09 0.00 0.00 178.44 178.22 2klo h GLN 42 N -0.22 0.98 -0.36 1.13 4.15 -0.81 -1.58 115.11 118.39 2klo h GLN 42 Ca 0.15 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 2klo h GLN 42 Cb 0.46 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2klo h GLN 42 CO -0.42 0.65 -0.00 0.00 -1.93 0.00 0.00 178.83 177.13 2klo h ARG 43 N 1.01 0.56 0.10 1.69 3.08 -0.76 0.52 114.38 120.59 2klo h ARG 43 Ca 0.35 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2klo h ARG 43 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2klo h ARG 43 CO -0.14 0.59 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.23 2klo h LEU 44 N 0.54 -0.12 -0.07 3.04 3.38 -0.82 -3.14 115.31 118.12 2klo h LEU 44 Ca 0.11 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2klo h LEU 44 Cb 0.35 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2klo h LEU 44 CO 0.01 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.29 2klo n GLU 45 N -4.93 0.01 0.00 1.13 1.02 -0.67 -2.38 120.64 114.83 2klo n GLU 45 Ca -0.08 0.33 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 2klo n GLU 45 Cb 0.26 -1.53 0.60 0.00 -0.02 0.00 0.00 31.44 30.75 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2klo n ARG 46 N -1.55 0.04 -0.34 3.49 1.74 0.16 -4.33 116.66 115.87 2klo n ARG 46 Ca 0.02 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 2klo n ARG 46 Cb 0.13 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.99 2klo n ARG 46 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2klo n LEU 47 N -1.48 -0.84 0.22 0.55 4.77 -1.00 -0.49 117.00 118.73 2klo n LEU 47 Ca 0.07 1.45 0.07 0.00 -0.03 0.00 0.00 56.01 57.56 2klo n LEU 47 Cb 0.31 -0.19 0.51 0.00 -2.33 0.00 0.00 43.42 41.72 2klo n LEU 47 CO 0.25 -1.18 0.85 1.55 -1.33 0.00 0.00 177.39 177.53 2klo h PRO 48 N 0.00 0.00 -0.16 3.23 0.13 -1.88 -2.68 132.00 130.64 2klo h PRO 48 Ca 0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.15 2klo h PRO 48 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2klo h PRO 48 CO -0.77 0.23 -0.37 1.49 -0.23 0.00 0.00 178.00 178.36 2klo h GLU 49 N 0.00 0.54 -0.62 0.86 4.57 -1.07 -2.45 114.58 116.42 2klo h GLU 49 Ca -0.00 -0.36 0.02 0.00 -1.18 0.00 0.00 59.36 57.83 2klo h GLU 49 Cb 0.46 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 2klo h GLU 49 CO 0.03 0.98 0.39 -0.07 -1.18 0.00 0.00 179.01 179.16 2klo h LEU 50 N 0.18 0.65 -0.26 1.64 -0.00 -0.85 -0.25 115.31 116.42 2klo h LEU 50 Ca -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2klo h LEU 50 Cb 0.98 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 2klo h LEU 50 CO 0.08 0.46 0.13 0.00 -0.00 0.00 0.00 178.44 179.11 2klo h ALA 51 N 1.25 0.31 -0.28 1.53 0.00 -1.46 -2.34 119.26 118.27 2klo h ALA 51 Ca 0.24 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2klo h ALA 51 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2klo h ALA 51 CO -0.08 -0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.08 2klo h ARG 52 N 0.27 0.36 -0.88 0.00 3.08 -0.90 -2.33 114.38 113.98 2klo h ARG 52 Ca 0.11 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2klo h ARG 52 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2klo h ARG 52 CO -0.07 0.24 0.50 0.28 -1.07 0.00 0.00 179.97 179.85 2klo h VAL 53 N 0.37 1.25 -0.05 2.04 2.07 -0.95 -1.78 116.25 119.20 2klo h VAL 53 Ca 0.11 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2klo h VAL 53 Cb -0.03 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 2klo h VAL 53 CO -0.03 0.27 -0.04 0.25 0.02 0.00 0.00 177.57 178.04 2klo h LEU 54 N 1.22 -0.13 -0.59 2.57 6.46 -1.08 -2.07 115.31 121.69 2klo h LEU 54 Ca 0.31 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.20 2klo h LEU 54 Cb -0.01 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2klo h LEU 54 CO -0.05 -0.06 0.18 -0.09 -0.62 0.00 0.00 178.44 177.80 2klo h ARG 55 N -0.05 0.33 0.00 1.25 2.43 -1.06 -0.96 114.38 116.32 2klo h ARG 55 Ca 0.04 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2klo h ARG 55 Cb 0.10 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2klo h ARG 55 CO -0.08 0.22 -0.32 -0.97 -1.51 0.00 0.00 179.97 177.31 2klo h ASN 56 N 0.34 -0.94 -0.25 -3.80 -1.24 -0.66 -0.36 115.58 108.67 2klo h ASN 56 Ca 0.30 0.12 -0.08 0.00 0.71 0.00 0.00 56.30 57.36 2klo h ASN 56 Cb 0.40 0.38 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 2klo h ASN 56 CO -0.34 -0.38 -0.15 1.62 -1.29 0.00 0.00 177.43 176.89 2klo h VAL 57 N -0.47 1.31 0.00 2.57 3.04 -1.07 -1.48 116.25 120.14 2klo h VAL 57 Ca 0.06 -1.26 -0.03 0.00 -1.01 0.00 0.00 66.70 64.47 2klo h VAL 57 Cb 0.55 1.59 -0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2klo h VAL 57 CO -0.26 0.39 -0.12 -0.26 -1.01 0.00 0.00 177.57 176.31 2klo h PHE 58 N 0.26 0.00 -0.00 3.17 -1.00 -1.07 0.17 116.94 118.46 2klo h PHE 58 Ca 0.05 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.66 2klo h PHE 58 Cb 0.67 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.25 2klo h PHE 58 CO 0.07 0.12 -0.68 0.28 -1.61 0.00 0.00 178.31 176.48 2klo h VAL 59 N 0.00 1.40 -0.33 -0.55 2.07 -0.90 -3.25 116.25 114.69 2klo h VAL 59 Ca -0.00 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.38 2klo h VAL 59 Cb 0.22 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 2klo h VAL 59 CO 0.02 0.62 0.10 0.28 0.02 0.00 0.00 177.57 178.61 2klo h SER 60 N -0.01 0.42 0.45 0.57 0.02 -0.35 -1.85 113.55 112.81 2klo h SER 60 Ca -0.09 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2klo h SER 60 Cb 1.39 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 2klo h SER 60 CO 0.13 0.42 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.12 2klo h GLU 61 N 0.47 0.00 -0.81 3.45 4.57 -0.74 -3.46 114.58 118.05 2klo h GLU 61 Ca 0.11 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.98 2klo h GLU 61 Cb 0.15 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.63 2klo h GLU 61 CO -0.01 0.04 -0.29 -2.13 -1.18 0.00 0.00 179.01 175.45 2klo n ARG 62 N -3.27 -1.06 -3.83 1.92 3.00 -0.70 -5.00 116.66 107.72 2klo n ARG 62 Ca -0.01 1.01 -0.13 0.00 -0.00 0.00 0.00 57.85 58.72 2klo n ARG 62 Cb 0.20 -5.17 -0.14 0.00 0.00 0.00 0.00 32.46 27.35 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 -3.38 0.04 0.00 -0.14 -2.85 -1.26 -5.04 119.74 107.11 2klo s LYS 63 Ca 0.00 0.11 0.25 0.00 -1.00 0.00 0.00 55.97 55.33 2klo s LYS 63 Cb 0.00 -0.04 0.59 0.00 -2.06 0.00 0.00 37.83 36.32 2klo s LYS 63 CO 0.00 -0.05 1.47 -0.35 0.10 0.00 0.00 175.35 176.52 2klo n PRO 64 N 3.34 0.05 -4.08 1.78 -0.04 -1.26 -4.82 135.00 129.96 2klo n PRO 64 Ca -0.16 -0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 2klo n PRO 64 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.97 2.17 0.07 0.55 0.00 -1.26 -1.39 121.76 118.93 2klo s ALA 65 Ca 0.12 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.00 2klo s ALA 65 Cb 0.18 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2klo s ALA 65 CO 0.67 -0.42 -0.16 -0.51 0.00 0.00 0.00 175.76 175.34 2klo s LEU 66 N 1.35 2.25 0.58 0.00 1.43 -0.96 -5.00 118.68 118.32 2klo s LEU 66 Ca 0.04 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 2klo s LEU 66 Cb -0.13 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 2klo s LEU 66 CO -0.12 0.00 1.08 -0.89 0.23 0.00 0.00 176.35 176.66 2klo s THR 67 N -1.10 3.51 0.23 5.49 2.01 -1.26 -0.95 115.64 123.56 2klo s THR 67 Ca 0.02 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 2klo s THR 67 Cb -0.09 -3.30 0.19 0.00 0.01 0.00 0.00 72.50 69.30 2klo s THR 67 CO 0.02 -0.34 1.78 -0.03 -0.69 0.00 0.00 174.62 175.37 2klo h MET 68 N 0.72 0.59 -0.09 4.92 4.05 -0.90 -1.73 114.93 122.50 2klo h MET 68 Ca -0.48 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 58.93 2klo h MET 68 Cb 1.24 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 2klo h MET 68 CO 0.57 0.39 -0.06 1.49 0.23 0.00 0.00 176.91 179.53 2klo h GLU 69 N 0.61 -0.06 0.28 0.39 4.81 -1.92 -0.94 114.58 117.74 2klo h GLU 69 Ca 0.37 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2klo h GLU 69 Cb 0.40 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2klo h GLU 69 CO -0.28 -0.04 -0.38 0.28 -0.73 0.00 0.00 179.01 177.86 2klo h VAL 70 N -0.07 0.23 0.00 0.32 2.07 -1.71 0.30 116.25 117.38 2klo h VAL 70 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2klo h VAL 70 Cb 0.15 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2klo h VAL 70 CO -0.13 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 177.91 2klo h VAL 71 N -0.71 0.86 0.40 2.57 2.07 -1.25 -1.04 116.25 119.15 2klo h VAL 71 Ca -0.01 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2klo h VAL 71 Cb 0.67 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2klo h VAL 71 CO -0.13 0.12 -0.19 0.00 0.02 0.00 0.00 177.57 177.39 2klo h ALA 73 N -0.70 1.15 -0.78 0.00 0.00 -0.81 0.29 119.26 118.41 2klo h ALA 73 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2klo h ALA 73 Cb 0.54 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2klo h ALA 73 CO 0.09 0.29 0.52 0.00 0.00 0.00 0.00 179.25 180.14 2klo h ARG 74 N 0.97 1.02 0.03 0.00 2.47 -1.21 -2.30 114.38 115.36 2klo h ARG 74 Ca 0.36 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.96 2klo h ARG 74 Cb 0.13 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 2klo h ARG 74 CO -0.16 0.67 -0.28 1.98 0.56 0.00 0.00 179.97 182.75 2klo h MET 75 N 1.05 0.06 0.00 0.04 4.05 -0.53 -3.35 114.93 116.26 2klo h MET 75 Ca 0.29 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2klo h MET 75 Cb -0.11 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 2klo h MET 75 CO -0.06 1.05 -0.00 -0.24 0.23 0.00 0.00 176.91 177.89 2klo h VAL 76 N -0.87 0.73 -0.02 -5.77 3.04 -0.95 -1.41 116.25 111.01 2klo h VAL 76 Ca -0.06 -0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.63 2klo h VAL 76 Cb 1.16 1.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2klo h VAL 76 CO 0.01 0.00 0.06 -0.78 -1.01 0.00 0.00 177.57 175.85 2klo h ASP 77 N 0.00 0.00 0.67 3.17 1.82 -1.54 0.17 116.42 120.71 2klo h ASP 77 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2klo h ASP 77 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2klo h ASP 77 CO 0.00 0.00 0.00 -0.24 -1.61 0.00 0.00 179.24 177.39 2klo n SER 78 N -3.34 0.00 0.00 2.28 2.88 -0.53 -3.79 113.62 111.12 2klo n SER 78 Ca -0.02 0.11 0.09 0.00 -1.33 0.00 0.00 58.87 57.72 2klo n SER 78 Cb 0.13 -0.36 0.55 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.01 1.11 0.00 0.00 10.64 -1.25 -4.25 117.38 122.63 2klo n GLN 80 Ca 0.14 -0.54 0.00 0.00 -1.83 0.00 0.00 57.00 54.77 2klo n GLN 80 Cb 0.07 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 27.69 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 2.66 0.00 -2.46 -0.39 5.66 -1.26 -5.10 114.28 113.40 2klo n THR 81 Ca 0.23 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.21 2klo n THR 81 Cb 0.51 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.36 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 1.76 -2.51 1.79 0.00 -1.26 -5.15 120.51 112.15 2klo n ALA 82 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 53.44 52.52 2klo n ALA 82 Cb 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.35 2.72 0.46 0.00 0.05 -1.26 -5.15 118.68 113.14 2klo s LEU 83 Ca 0.05 -0.96 -0.13 0.00 0.05 0.00 0.00 54.13 53.15 2klo s LEU 83 Cb 0.26 -1.22 -0.07 0.00 -2.05 0.00 0.00 46.19 43.11 2klo s LEU 83 CO -0.07 0.03 0.87 -0.55 -0.55 0.00 0.00 176.35 176.07 2klo s SER 84 N -3.55 6.55 0.39 1.48 0.15 -1.26 -4.98 113.70 112.48 2klo s SER 84 Ca 0.30 1.32 0.09 0.00 0.70 0.00 0.00 55.95 58.36 2klo s SER 84 Cb -0.05 -2.40 0.79 0.00 -1.71 0.00 0.00 66.02 62.65 2klo s SER 84 CO 0.16 -0.50 1.94 1.55 1.20 0.00 0.00 173.24 177.59 2klo h PRO 85 N 1.04 0.29 0.00 5.44 0.13 -1.99 -2.02 132.00 134.89 2klo h PRO 85 Ca -0.47 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.63 0.38 -0.17 0.78 -0.23 0.00 0.00 178.00 179.39 2klo h GLY 86 N 0.69 0.00 1.08 1.56 0.00 -2.01 -1.89 103.07 102.50 2klo h GLY 86 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2klo h GLY 86 CO 0.01 0.00 0.40 0.83 0.00 0.00 0.00 176.54 177.78 2klo h GLU 87 N 0.00 1.19 -0.37 4.80 3.07 -1.75 -2.40 114.58 119.11 2klo h GLU 87 Ca -0.00 -0.17 0.06 0.00 -0.50 0.00 0.00 59.36 58.75 2klo h GLU 87 Cb 0.39 -0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 28.03 2klo h GLU 87 CO 0.02 0.91 0.02 1.98 -1.40 0.00 0.00 179.01 180.55 2klo h MET 88 N 1.18 0.12 -0.96 2.33 4.05 -1.43 -1.52 114.93 118.70 2klo h MET 88 Ca 0.28 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2klo h MET 88 Cb 0.12 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 2klo h MET 88 CO -0.04 0.08 0.62 1.49 0.23 0.00 0.00 176.91 179.30 2klo h GLU 89 N 0.13 1.28 -0.60 0.39 4.57 -1.50 -1.13 114.58 117.72 2klo h GLU 89 Ca 0.18 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2klo h GLU 89 Cb 0.24 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2klo h GLU 89 CO -0.28 0.86 0.38 0.87 -1.18 0.00 0.00 179.01 179.66 2klo h LYS 90 N 1.31 0.79 -0.11 1.92 1.79 -0.81 -1.44 116.57 120.03 2klo h LYS 90 Ca 0.35 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.62 2klo h LYS 90 Cb -0.13 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.34 2klo h LYS 90 CO -0.07 0.54 -0.56 0.45 -1.08 0.00 0.00 179.45 178.72 2klo h HIS 91 N 0.81 0.41 0.29 -1.35 3.86 -0.68 -1.91 115.15 116.59 2klo h HIS 91 Ca 0.22 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2klo h HIS 91 Cb -0.07 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 2klo h HIS 91 CO 0.00 0.81 -0.16 -0.07 0.86 0.00 0.00 177.93 179.37 2klo h LEU 92 N 0.25 -0.39 -0.10 2.43 3.38 -0.68 -1.83 115.31 118.36 2klo h LEU 92 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2klo h LEU 92 Cb 1.07 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2klo h LEU 92 CO 0.09 -0.26 -0.01 1.62 0.09 0.00 0.00 178.44 179.97 2klo h VAL 93 N -0.42 1.27 -0.65 1.22 3.04 -1.48 -2.66 116.25 116.56 2klo h VAL 93 Ca -0.03 -0.85 0.14 0.00 -1.01 0.00 0.00 66.70 64.94 2klo h VAL 93 Cb 0.34 1.63 -0.12 0.00 -2.01 0.00 0.00 31.29 31.14 2klo h VAL 93 CO 0.05 0.24 -0.08 0.25 -1.01 0.00 0.00 177.57 177.02 2klo h LEU 94 N -0.11 -0.45 -0.22 3.16 5.85 -1.29 0.26 115.31 122.51 2klo h LEU 94 Ca 0.03 0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 2klo h LEU 94 Cb 0.38 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2klo h LEU 94 CO 0.01 -0.18 -0.38 0.25 -0.34 0.00 0.00 178.44 177.80 2klo h LEU 95 N 0.05 0.71 -1.09 2.25 7.12 -1.33 -3.22 115.31 119.79 2klo h LEU 95 Ca 0.33 -0.53 -0.04 0.00 0.13 0.00 0.00 57.88 57.76 2klo h LEU 95 Cb 0.53 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2klo h LEU 95 CO -0.62 1.11 -0.21 0.00 -0.13 0.00 0.00 178.44 178.59 2klo h ALA 96 N 0.62 1.01 -0.17 1.25 0.00 -0.97 -2.23 119.26 118.77 2klo h ALA 96 Ca 0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2klo h ALA 96 Cb 0.97 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2klo h ALA 96 CO 0.09 0.26 -0.18 1.49 0.00 0.00 0.00 179.25 180.90 2klo h GLU 97 N 0.00 0.42 0.00 0.00 4.22 -0.54 -2.64 114.58 116.05 2klo h GLU 97 Ca -0.00 -0.23 -0.09 0.00 0.08 0.00 0.00 59.36 59.12 2klo h GLU 97 Cb 0.75 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2klo h GLU 97 CO 0.03 0.80 -0.64 -0.07 -2.18 0.00 0.00 179.01 176.94 2klo h LEU 98 N 0.07 0.00 -5.42 1.64 -0.00 -1.57 -3.38 115.31 106.64 2klo h LEU 98 Ca 0.03 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.34 2klo h LEU 98 Cb 0.73 0.00 -0.42 0.00 -0.00 0.00 0.00 40.66 40.97 2klo h LEU 98 CO 0.04 0.40 -0.77 0.18 -0.00 0.00 0.00 178.44 178.29 2klo n LEU 99 N -3.10 3.65 0.22 1.67 4.77 -0.84 -4.90 117.00 118.48 2klo n LEU 99 Ca -0.00 -5.50 0.09 0.00 -0.03 0.00 0.00 56.01 50.56 2klo n LEU 99 Cb 0.71 -0.26 0.50 0.00 -2.33 0.00 0.00 43.42 42.04 2klo n LEU 99 CO 0.40 2.33 0.82 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 -1.65 -1.03 132.00 135.65 2klo h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2klo h PRO 100 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2klo h PRO 100 CO 0.75 0.25 0.00 -0.44 -0.23 0.00 0.00 178.00 178.32 2klo h ASP 101 N 0.00 0.00 0.00 1.44 3.32 -1.90 -3.35 116.42 115.92 2klo h ASP 101 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2klo h ASP 101 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2klo h ASP 101 CO 0.03 0.00 -0.29 -0.25 -1.72 0.00 0.00 179.24 177.01 2klo h TRP 102 N 0.00 0.00 -3.59 4.55 7.01 -1.81 -3.45 115.95 118.66 2klo h TRP 102 Ca 0.00 0.00 -0.62 0.00 2.11 0.00 0.00 58.89 60.38 2klo h TRP 102 Cb 0.88 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.81 2klo h TRP 102 CO 0.00 0.00 -0.33 -0.51 -2.79 0.00 0.00 178.44 174.81 2klo s LEU 103 N -6.89 4.11 0.16 0.65 1.43 -0.44 -2.21 118.68 115.49 2klo s LEU 103 Ca -0.08 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2klo s LEU 103 Cb 0.01 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2klo s LEU 103 CO 0.13 -0.05 -0.14 -0.44 0.23 0.00 0.00 176.35 176.07 2klo s SER 104 N 1.21 2.26 0.02 2.29 0.01 -0.14 -4.30 113.70 115.05 2klo s SER 104 Ca 0.14 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2klo s SER 104 Cb -0.15 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 2klo s SER 104 CO 0.07 -0.17 -0.05 -1.48 0.41 0.00 0.00 173.24 172.02 2klo s LEU 105 N -2.89 2.18 -0.15 2.44 0.05 -1.26 -0.25 118.68 118.79 2klo s LEU 105 Ca 0.16 -0.40 -0.07 0.00 0.05 0.00 0.00 54.13 53.87 2klo s LEU 105 Cb -0.02 -0.10 0.06 0.00 -2.05 0.00 0.00 46.19 44.08 2klo s LEU 105 CO 0.04 -0.16 0.34 -1.38 -0.55 0.00 0.00 176.35 174.65 2klo s HIS 106 N -1.02 -0.53 0.15 3.48 -3.43 -0.31 -4.99 115.29 108.64 2klo s HIS 106 Ca -0.08 1.13 -0.18 0.00 -0.80 0.00 0.00 55.06 55.12 2klo s HIS 106 Cb -0.07 0.16 -0.07 0.00 -1.43 0.00 0.00 32.58 31.16 2klo s HIS 106 CO -0.00 -0.34 0.63 0.50 -2.00 0.00 0.00 174.74 173.53 2klo s ARG 107 N 1.73 4.19 0.23 -0.38 3.00 -1.26 -1.21 118.95 125.24 2klo s ARG 107 Ca -0.06 0.74 0.10 0.00 -1.00 0.00 0.00 55.73 55.51 2klo s ARG 107 Cb -0.10 -3.04 -0.05 0.00 0.00 0.00 0.00 34.95 31.76 2klo s ARG 107 CO -0.11 0.51 -0.17 0.42 0.00 0.00 0.00 175.30 175.95 2klo s ILE 108 N -1.34 2.08 -0.98 4.11 -1.09 0.64 -4.96 121.20 119.65 2klo s ILE 108 Ca 0.36 -2.27 0.00 0.00 -2.23 0.00 0.00 60.65 56.51 2klo s ILE 108 Cb -0.18 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2klo s ILE 108 CO 0.20 -0.48 0.59 -2.11 -1.23 0.00 0.00 174.94 171.91 2klo n ARG 109 N -0.42 0.00 0.00 2.79 1.85 -1.26 -2.06 116.66 117.57 2klo n ARG 109 Ca -0.07 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2klo n ARG 109 Cb 0.60 -1.59 0.00 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 -1.09 0.00 0.00 8.89 5.66 -1.26 -5.14 114.28 121.35 2klo n THR 110 Ca 0.00 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2klo n THR 110 Cb 0.09 0.44 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.56 0.00 -4.79 1.09 -0.08 -0.87 -5.17 116.55 106.17 2klo n ASP 111 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 2klo n ASP 111 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 4.73 0.18 5.18 2.01 -1.26 -0.26 115.64 124.21 2klo s THR 112 Ca 0.00 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2klo s THR 112 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2klo s THR 112 CO 0.00 0.30 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.91 2klo s TYR 113 N -1.24 1.25 0.13 4.92 1.51 -0.35 -0.23 117.35 123.35 2klo s TYR 113 Ca 0.25 -0.99 0.08 0.00 -1.01 0.00 0.00 57.07 55.40 2klo s TYR 113 Cb -0.12 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 2klo s TYR 113 CO 0.16 -0.17 -0.18 0.08 -1.11 0.00 0.00 175.55 174.33 2klo s VAL 114 N -3.60 1.65 0.03 0.71 1.01 -0.13 -1.17 120.40 118.91 2klo s VAL 114 Ca 0.24 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.56 2klo s VAL 114 Cb 0.06 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2klo s VAL 114 CO 0.04 -0.25 -0.20 -0.54 0.00 0.00 0.00 175.10 174.15 2klo s LYS 115 N -2.44 1.36 -0.04 2.72 -0.14 0.65 -2.27 119.74 119.59 2klo s LYS 115 Ca 0.10 -0.88 -0.02 0.00 -1.36 0.00 0.00 55.97 53.82 2klo s LYS 115 Cb -0.07 -1.44 0.02 0.00 -1.68 0.00 0.00 37.83 34.66 2klo s LYS 115 CO 0.05 0.37 0.09 -1.17 -0.76 0.00 0.00 175.35 173.92 2klo s LEU 116 N -1.05 1.38 -0.74 3.17 2.96 -0.48 -0.97 118.68 122.94 2klo s LEU 116 Ca 0.07 0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 54.00 2klo s LEU 116 Cb -0.08 0.23 0.19 0.00 0.50 0.00 0.00 46.19 47.03 2klo s LEU 116 CO 0.01 -0.07 0.68 -1.81 -1.32 0.00 0.00 176.35 173.84 2klo s ASP 117 N 0.47 6.56 0.52 3.68 1.11 -0.94 -4.70 116.67 123.37 2klo s ASP 117 Ca -0.04 -2.43 0.28 0.00 0.18 0.00 0.00 52.55 50.55 2klo s ASP 117 Cb -0.05 -2.20 1.43 0.00 1.07 0.00 0.00 42.92 43.17 2klo s ASP 117 CO -0.02 -0.65 2.05 0.11 1.18 0.00 0.00 175.17 177.84 2klo h LYS 118 N 8.09 0.00 0.00 8.23 6.56 -1.96 -2.84 116.57 134.65 2klo h LYS 118 Ca -0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2klo h LYS 118 Cb 1.06 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.71 2klo h LYS 118 CO 0.83 0.12 -0.16 0.00 -2.06 0.00 0.00 179.45 178.19 2klo h ALA 119 N 1.88 1.55 -2.92 3.86 0.00 -2.01 -3.45 119.26 118.17 2klo h ALA 119 Ca -0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 2klo h ALA 119 Cb 0.39 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.25 2klo h ALA 119 CO 0.02 0.20 0.74 0.08 0.00 0.00 0.00 179.25 180.28 2klo s VAL 120 N -4.49 2.25 -0.18 0.00 1.01 -1.07 -4.92 120.40 113.00 2klo s VAL 120 Ca -0.04 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2klo s VAL 120 Cb 0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2klo s VAL 120 CO 0.65 0.06 1.55 -0.62 0.00 0.00 0.00 175.10 176.74 2klo s ASP 121 N -0.23 6.55 0.46 3.32 -1.08 -1.26 -4.92 116.67 119.51 2klo s ASP 121 Ca 0.52 1.74 0.22 0.00 -0.52 0.00 0.00 52.55 54.51 2klo s ASP 121 Cb -0.45 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 39.62 2klo s ASP 121 CO 0.60 -1.09 1.96 0.25 0.52 0.00 0.00 175.17 177.41 2klo h LEU 122 N 11.00 0.00 -0.32 -1.34 7.12 -1.93 -2.85 115.31 126.99 2klo h LEU 122 Ca -0.33 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.68 2klo h LEU 122 Cb 1.15 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 2klo h LEU 122 CO 0.99 0.21 0.20 0.00 -0.13 0.00 0.00 178.44 179.70 2klo h ALA 123 N 1.79 0.41 -0.48 1.25 0.00 -1.99 0.15 119.26 120.39 2klo h ALA 123 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2klo h ALA 123 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2klo h ALA 123 CO 0.03 -0.09 -0.15 0.78 0.00 0.00 0.00 179.25 179.81 2klo h GLY 124 N 0.42 1.04 0.97 0.00 0.00 -1.96 -2.45 103.07 101.09 2klo h GLY 124 Ca 0.12 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2klo h GLY 124 CO -0.02 0.80 0.05 1.41 0.00 0.00 0.00 176.54 178.78 2klo h LEU 125 N 0.81 0.09 -0.76 3.11 3.38 -1.25 -1.83 115.31 118.86 2klo h LEU 125 Ca 0.12 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2klo h LEU 125 Cb 0.72 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 2klo h LEU 125 CO 0.05 0.10 0.34 0.74 0.09 0.00 0.00 178.44 179.77 2klo h THR 126 N 0.08 0.73 0.85 0.22 2.02 -0.62 0.45 112.91 116.65 2klo h THR 126 Ca 0.03 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2klo h THR 126 Cb 0.02 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2klo h THR 126 CO -0.01 0.10 -0.41 0.00 0.37 0.00 0.00 175.52 175.57 2klo h ALA 127 N 1.51 -1.15 -0.71 6.16 0.00 -0.92 -1.15 119.26 123.01 2klo h ALA 127 Ca 0.40 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2klo h ALA 127 Cb 0.55 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2klo h ALA 127 CO -0.35 -1.07 0.43 0.07 0.00 0.00 0.00 179.25 178.33 2klo h ARG 128 N -1.30 0.96 0.58 0.00 0.11 -1.17 -2.10 114.38 111.47 2klo h ARG 128 Ca -0.12 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 59.86 2klo h ARG 128 Cb 0.88 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2klo h ARG 128 CO 0.19 0.67 -0.30 1.25 0.10 0.00 0.00 179.97 181.88 2klo h LEU 129 N 0.97 -0.73 -1.99 0.08 5.85 -0.87 -2.78 115.31 115.84 2klo h LEU 129 Ca 0.26 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2klo h LEU 129 Cb -0.04 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2klo h LEU 129 CO -0.05 -0.50 -0.10 0.00 -0.34 0.00 0.00 178.44 177.45 2klo h ALA 130 N -0.41 1.34 0.00 1.25 0.00 -1.02 -2.85 119.26 117.57 2klo h ALA 130 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2klo h ALA 130 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2klo h ALA 130 CO 0.11 0.13 -0.04 0.45 0.00 0.00 0.00 179.25 179.90 2klo h HIS 131 N 0.00 0.00 -6.61 0.00 3.86 -1.11 -3.48 115.15 107.81 2klo h HIS 131 Ca -0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 2klo h HIS 131 Cb 0.28 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.60 2klo h HIS 131 CO 0.00 0.00 -0.74 0.72 0.86 0.00 0.00 177.93 178.77 2klo n HIS 132 N -2.37 -0.96 -0.15 2.45 -0.00 -1.08 -4.83 115.22 108.29 2klo n HIS 132 Ca 0.05 0.44 -0.03 0.00 -0.00 0.00 0.00 57.72 58.18 2klo n HIS 132 Cb 0.44 -2.12 0.05 0.00 -0.00 0.00 0.00 29.99 28.37 2klo n HIS 132 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 2klo h VAL 133 N -1.12 0.76 -0.42 1.59 -1.51 -1.90 -2.19 116.25 111.46 2klo h VAL 133 Ca -0.50 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.87 2klo h VAL 133 Cb 1.06 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2klo h VAL 133 CO 0.53 0.04 0.01 0.00 -1.23 0.00 0.00 177.57 176.93 2klo n HIS 134 N -5.09 1.52 -3.61 5.19 -0.00 -1.26 -4.98 115.22 106.99 2klo n HIS 134 Ca 0.04 -0.84 0.00 0.00 -0.00 0.00 0.00 57.72 56.92 2klo n HIS 134 Cb 0.22 -0.43 0.00 0.00 -0.00 0.00 0.00 29.99 29.78 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2klo n ALA 135 N -0.02 0.00 0.09 1.59 0.00 -0.82 -5.06 120.51 116.29 2klo n ALA 135 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2klo n ALA 135 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 2klo n ALA 135 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2klo n GLU 136 N 0.00 0.00 0.00 0.00 0.28 -1.26 -4.88 120.64 114.78 2klo n GLU 136 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2klo n GLU 136 Cb 0.00 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 32.72 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 2.08 -0.58 0.00 -1.84 0.00 -1.26 -4.94 105.19 98.65 2klo n GLY 137 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36