#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 -0.20 0.74 0.55 0.00 -1.26 -5.17 121.76 116.42 2klo s ALA 2 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 2klo s ALA 2 Cb 0.00 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.54 2klo s ALA 2 CO 0.00 -0.44 1.08 0.00 0.00 0.00 0.00 175.76 176.40 2klo s ALA 3 N -3.35 2.54 0.02 0.00 0.00 -1.26 -5.10 121.76 114.62 2klo s ALA 3 Ca 0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 2klo s ALA 3 Cb 0.03 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 20.08 2klo s ALA 3 CO -0.08 -1.40 0.53 -1.54 0.00 0.00 0.00 175.76 173.27 2klo s SER 4 N -3.94 -0.46 0.81 0.00 1.04 -1.26 -5.18 113.70 104.72 2klo s SER 4 Ca 0.59 0.28 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 2klo s SER 4 Cb -0.14 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.54 2klo s SER 4 CO 0.54 -0.67 1.13 -2.16 0.98 0.00 0.00 173.24 173.06 2klo s PRO 5 N -2.07 2.00 0.12 4.02 0.04 -1.26 -5.10 135.00 132.75 2klo s PRO 5 Ca -0.07 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.24 2klo s PRO 5 Cb -0.01 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2klo s PRO 5 CO 0.01 -1.63 0.31 -1.54 0.04 0.00 0.00 177.00 174.20 2klo s SER 6 N -4.19 -0.07 -0.21 6.66 1.04 -1.26 -5.15 113.70 110.52 2klo s SER 6 Ca 0.61 -0.50 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 2klo s SER 6 Cb -0.13 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.51 2klo s SER 6 CO 0.52 -0.82 0.27 0.00 0.98 0.00 0.00 173.24 174.19 2klo s ALA 7 N -3.84 -0.52 0.18 5.32 0.00 -1.26 -5.16 121.76 116.48 2klo s ALA 7 Ca 0.05 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 2klo s ALA 7 Cb 0.03 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 2klo s ALA 7 CO -0.10 -1.16 0.08 -0.51 0.00 0.00 0.00 175.76 174.07 2klo s LEU 8 N 2.40 1.57 0.23 0.00 1.43 -1.26 -5.18 118.68 117.86 2klo s LEU 8 Ca 0.08 -1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 51.80 2klo s LEU 8 Cb -0.15 0.25 -0.02 0.00 0.03 0.00 0.00 46.19 46.30 2klo s LEU 8 CO -0.13 -0.75 0.35 -0.54 0.23 0.00 0.00 176.35 175.51 2klo s LYS 9 N -4.07 1.40 0.15 1.70 3.01 -1.26 -5.19 119.74 115.47 2klo s LYS 9 Ca 0.31 -1.37 -0.20 0.00 -1.01 0.00 0.00 55.97 53.70 2klo s LYS 9 Cb 0.07 0.40 0.06 0.00 -1.01 0.00 0.00 37.83 37.34 2klo s LYS 9 CO 0.07 -0.54 0.52 0.20 0.51 0.00 0.00 175.35 176.11 2klo s GLY 10 N -3.06 -0.48 -0.15 -3.33 0.00 -1.26 -5.19 107.32 93.85 2klo s GLY 10 Ca 0.28 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 2klo s GLY 10 CO 0.09 -0.03 1.02 0.54 0.00 0.00 0.00 173.10 174.72 2klo s VAL 11 N -3.77 0.00 0.00 1.40 0.11 -1.26 -5.08 120.40 111.80 2klo s VAL 11 Ca 0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2klo s VAL 11 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2klo s VAL 11 CO -0.13 0.00 0.47 -1.54 -3.33 0.00 0.00 175.10 170.58 2klo n SER 12 N 0.52 0.95 -0.00 3.54 3.41 -1.26 -4.79 113.62 115.99 2klo n SER 12 Ca -0.09 -0.99 -0.00 0.00 -0.26 0.00 0.00 58.87 57.53 2klo n SER 12 Cb 0.59 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2klo n SER 12 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2klo h GLN 13 N 0.00 -0.01 0.00 4.33 4.15 -2.00 0.13 115.11 121.71 2klo h GLN 13 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2klo h GLN 13 Cb 0.02 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2klo h GLN 13 CO 0.00 -0.01 -0.22 0.00 -1.93 0.00 0.00 178.83 176.67 2klo h ALA 14 N -1.24 1.57 -0.55 3.38 0.00 -2.00 -2.67 119.26 117.76 2klo h ALA 14 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2klo h ALA 14 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2klo h ALA 14 CO -0.02 0.28 -0.08 -0.07 0.00 0.00 0.00 179.25 179.37 2klo h LEU 15 N 0.00 1.01 -0.03 0.00 3.38 -1.64 -1.42 115.31 116.61 2klo h LEU 15 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2klo h LEU 15 Cb 0.41 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2klo h LEU 15 CO 0.03 1.10 -0.01 -0.07 0.09 0.00 0.00 178.44 179.58 2klo h LEU 16 N 0.91 0.06 -0.81 1.67 3.38 -0.68 -3.15 115.31 116.69 2klo h LEU 16 Ca 0.15 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2klo h LEU 16 Cb 0.63 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2klo h LEU 16 CO 0.04 0.46 0.48 -0.33 0.09 0.00 0.00 178.44 179.18 2klo h GLU 17 N -0.34 0.82 0.00 1.13 5.08 -1.45 -0.66 114.58 119.16 2klo h GLU 17 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2klo h GLU 17 Cb 0.44 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2klo h GLU 17 CO 0.00 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 179.10 2klo n ARG 18 N -4.70 0.16 0.04 2.33 1.74 -0.54 -2.53 116.66 113.17 2klo n ARG 18 Ca 0.12 0.58 0.10 0.00 -0.77 0.00 0.00 57.85 57.88 2klo n ARG 18 Cb 0.21 -1.95 0.55 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.95 -0.69 0.55 2.04 -1.08 -2.08 117.51 117.19 2klo h ILE 19 Ca 0.00 -0.10 0.18 0.00 1.00 0.00 0.00 64.86 65.95 2klo h ILE 19 Cb 0.11 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2klo h ILE 19 CO 0.00 0.05 0.48 0.08 0.00 0.00 0.00 178.15 178.77 2klo h ARG 20 N 0.28 0.11 0.00 2.37 -0.00 -1.69 0.99 114.38 116.44 2klo h ARG 20 Ca 0.17 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 60.09 2klo h ARG 20 Cb 0.33 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.27 2klo h ARG 20 CO -0.04 0.07 -0.27 0.00 -0.00 0.00 0.00 179.97 179.73 2klo h ALA 21 N 1.66 1.00 0.01 0.08 0.00 -1.62 -2.52 119.26 117.87 2klo h ALA 21 Ca 0.33 -0.25 -0.38 0.00 0.00 0.00 0.00 54.91 54.62 2klo h ALA 21 Cb 1.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2klo h ALA 21 CO -0.04 0.34 -2.38 1.63 0.00 0.00 0.00 179.25 178.81 2klo n LYS 22 N -3.42 0.67 -0.26 0.00 4.01 -0.02 -4.38 118.16 114.75 2klo n LYS 22 Ca 0.00 0.13 -0.01 0.00 -0.51 0.00 0.00 58.31 57.92 2klo n LYS 22 Cb 0.46 -1.55 0.20 0.00 -0.51 0.00 0.00 35.03 33.63 2klo n LYS 22 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 2klo h GLU 23 N 0.01 1.09 -0.56 1.97 4.11 -0.93 -0.90 114.58 119.36 2klo h GLU 23 Ca -0.54 -0.08 0.09 0.00 0.07 0.00 0.00 59.36 58.90 2klo h GLU 23 Cb 2.01 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 2klo h GLU 23 CO -0.03 0.74 0.38 -0.24 0.07 0.00 0.00 179.01 179.92 2klo h VAL 24 N 1.12 0.90 0.06 -1.06 3.04 -1.65 0.97 116.25 119.64 2klo h VAL 24 Ca 0.30 -0.13 -0.31 0.00 -1.01 0.00 0.00 66.70 65.55 2klo h VAL 24 Cb -0.10 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 29.64 2klo h VAL 24 CO -0.06 0.07 -1.71 1.56 -1.01 0.00 0.00 177.57 176.42 2klo h GLN 25 N 0.37 0.14 -0.21 4.17 4.20 -1.57 -3.31 115.11 118.89 2klo h GLN 25 Ca 0.26 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 2klo h GLN 25 Cb 0.52 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 2klo h GLN 25 CO -0.07 0.87 -0.54 -0.22 -0.67 0.00 0.00 178.83 178.20 2klo h LYS 26 N 0.04 0.63 0.00 1.46 3.64 -0.24 -3.08 116.57 119.01 2klo h LYS 26 Ca -0.30 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 2klo h LYS 26 Cb 2.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 2klo h LYS 26 CO 0.11 1.01 0.00 -0.56 -2.27 0.00 0.00 179.45 177.73 2klo h GLN 27 N 0.48 0.00 -0.61 1.90 3.07 -1.01 -3.39 115.11 115.56 2klo h GLN 27 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.81 2klo h GLN 27 Cb 1.10 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.59 2klo h GLN 27 CO 0.11 0.00 -0.37 1.25 0.09 0.00 0.00 178.83 179.91 2klo h LEU 28 N 0.00 -1.36 0.00 0.06 5.85 -1.62 -3.43 115.31 114.81 2klo h LEU 28 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2klo h LEU 28 Cb 0.71 0.60 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2klo h LEU 28 CO 0.00 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 2klo n ALA 29 N -3.14 0.00 -1.52 1.25 0.00 -1.26 -5.06 120.51 110.77 2klo n ALA 29 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2klo n ALA 29 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2klo n ALA 29 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2klo n ARG 30 N 0.00 0.07 -3.14 0.00 1.85 -1.26 -5.06 116.66 109.12 2klo n ARG 30 Ca 0.00 -0.82 -0.42 0.00 -1.00 0.00 0.00 57.85 55.61 2klo n ARG 30 Cb 0.00 -0.53 -0.07 0.00 -1.05 0.00 0.00 32.46 30.82 2klo n ARG 30 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2klo s MET 31 N -0.07 3.47 -0.01 2.89 -1.94 -1.26 -4.81 119.30 117.57 2klo s MET 31 Ca 0.01 -0.20 0.02 0.00 -1.71 0.00 0.00 55.69 53.80 2klo s MET 31 Cb 0.00 -3.88 0.03 0.00 2.01 0.00 0.00 34.83 33.00 2klo s MET 31 CO 0.00 -0.85 0.80 -2.37 -0.01 0.00 0.00 175.02 172.59 2klo n THR 32 N 5.68 0.37 -2.15 2.05 5.66 -1.26 -5.09 114.28 119.54 2klo n THR 32 Ca -0.02 -0.41 -0.34 0.00 -3.05 0.00 0.00 64.05 60.23 2klo n THR 32 Cb 0.48 0.63 0.01 0.00 -1.55 0.00 0.00 70.33 69.91 2klo n THR 32 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2klo s ARG 33 N -0.48 3.26 0.00 1.09 3.00 -1.26 -4.98 118.95 119.59 2klo s ARG 33 Ca 0.04 1.50 0.00 0.00 0.00 0.00 0.00 55.73 57.27 2klo s ARG 33 Cb 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 34.95 32.98 2klo s ARG 33 CO 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 175.30 174.40 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.06 -1.92 132.00 128.15 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 0.39 -0.23 0.00 0.00 178.00 178.16 2klo n GLU 36 N -2.72 0.06 -0.25 0.86 1.02 -1.26 -2.10 120.64 116.24 2klo n GLU 36 Ca -0.01 0.53 0.28 0.00 -0.02 0.00 0.00 57.16 57.95 2klo n GLU 36 Cb 0.14 -1.69 0.67 0.00 -0.02 0.00 0.00 31.44 30.55 2klo n GLU 36 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2klo h GLN 37 N 0.00 0.11 -0.94 3.49 5.75 -1.73 0.37 115.11 122.17 2klo h GLN 37 Ca 0.00 -0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.64 2klo h GLN 37 Cb 0.03 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.47 2klo h GLN 37 CO 0.00 0.07 0.55 1.05 -2.65 0.00 0.00 178.83 177.85 2klo h GLU 38 N 0.12 0.78 -0.15 1.69 4.11 -1.71 0.20 114.58 119.63 2klo h GLU 38 Ca 0.50 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.80 2klo h GLU 38 Cb 1.78 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 2klo h GLU 38 CO -0.08 0.52 -0.28 -0.07 0.07 0.00 0.00 179.01 179.17 2klo h LEU 39 N 0.80 0.27 -0.17 3.06 3.38 -1.18 0.64 115.31 122.13 2klo h LEU 39 Ca 0.50 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 2klo h LEU 39 Cb 0.62 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2klo h LEU 39 CO -0.32 0.55 -0.12 0.03 0.09 0.00 0.00 178.44 178.66 2klo h ARG 40 N 0.24 0.38 0.05 1.13 -0.00 -1.05 -0.93 114.38 114.20 2klo h ARG 40 Ca 0.04 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.98 59.33 2klo h ARG 40 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 2klo h ARG 40 CO 0.04 0.72 -0.02 -0.07 0.00 0.00 0.00 179.97 180.64 2klo h LEU 41 N 0.03 -0.06 -0.69 3.04 3.38 -0.92 -0.86 115.31 119.23 2klo h LEU 41 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2klo h LEU 41 Cb 0.64 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2klo h LEU 41 CO 0.03 0.00 0.44 1.56 0.09 0.00 0.00 178.44 180.57 2klo h GLN 42 N -0.12 0.92 -0.20 1.13 4.20 -0.88 -1.28 115.11 118.88 2klo h GLN 42 Ca -0.01 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 2klo h GLN 42 Cb 0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2klo h GLN 42 CO 0.01 0.63 -0.54 0.07 -0.67 0.00 0.00 178.83 178.34 2klo h ARG 43 N 0.94 0.59 0.00 1.46 0.11 -1.01 -2.60 114.38 113.87 2klo h ARG 43 Ca 0.25 -0.37 0.00 0.00 0.10 0.00 0.00 59.98 59.96 2klo h ARG 43 Cb -0.07 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2klo h ARG 43 CO -0.05 0.98 0.00 1.37 0.10 0.00 0.00 179.97 182.37 2klo h LEU 44 N 0.46 0.00 0.00 0.08 8.10 -0.75 -2.91 115.31 120.28 2klo h LEU 44 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2klo h LEU 44 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 2klo h LEU 44 CO 0.10 0.00 -0.90 -1.84 -4.11 0.00 0.00 178.44 171.69 2klo n GLU 45 N -2.83 0.03 0.00 0.17 -0.00 -0.52 -4.24 120.64 113.26 2klo n GLU 45 Ca 0.02 -0.01 0.13 0.00 -0.00 0.00 0.00 57.16 57.30 2klo n GLU 45 Cb 0.36 -1.50 0.75 0.00 -0.00 0.00 0.00 31.44 31.04 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2klo n ARG 46 N -1.54 0.87 -0.29 3.44 1.74 -0.99 -4.31 116.66 115.58 2klo n ARG 46 Ca 0.04 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.18 2klo n ARG 46 Cb 0.34 -1.45 0.15 0.00 -1.02 0.00 0.00 32.46 30.48 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2klo h LEU 47 N 0.00 -0.58 -1.28 0.55 4.07 -1.74 0.12 115.31 116.46 2klo h LEU 47 Ca 0.00 0.24 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 2klo h LEU 47 Cb 0.00 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 2klo h LEU 47 CO 0.00 -0.25 0.00 1.55 -1.08 0.00 0.00 178.44 178.66 2klo h PRO 48 N 0.04 0.49 -0.40 1.13 0.13 -1.95 -2.55 132.00 128.88 2klo h PRO 48 Ca 0.43 -0.10 -0.11 0.00 -0.87 0.00 0.00 66.00 65.36 2klo h PRO 48 Cb 0.74 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2klo h PRO 48 CO -0.80 0.51 -0.16 1.49 -0.23 0.00 0.00 178.00 178.81 2klo h GLU 49 N 0.47 0.82 0.14 0.86 4.57 -1.13 -2.03 114.58 118.29 2klo h GLU 49 Ca 0.10 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2klo h GLU 49 Cb 0.31 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2klo h GLU 49 CO 0.01 0.98 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.55 2klo h LEU 50 N 0.63 -0.53 -0.35 1.64 -0.00 -0.87 -0.34 115.31 115.49 2klo h LEU 50 Ca 0.09 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 58.05 2klo h LEU 50 Cb 0.71 0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.54 2klo h LEU 50 CO 0.05 -0.28 0.19 0.00 -0.00 0.00 0.00 178.44 178.40 2klo h ALA 51 N 0.40 0.44 -0.58 1.53 0.00 -1.46 -0.92 119.26 118.66 2klo h ALA 51 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2klo h ALA 51 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2klo h ALA 51 CO -0.08 -0.17 0.33 0.00 0.00 0.00 0.00 179.25 179.32 2klo h ARG 52 N 0.39 0.81 -0.13 0.00 3.08 -1.12 -1.04 114.38 116.37 2klo h ARG 52 Ca 0.14 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2klo h ARG 52 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2klo h ARG 52 CO -0.08 0.62 0.05 0.28 -1.07 0.00 0.00 179.97 179.76 2klo h VAL 53 N 0.79 1.15 -0.49 2.04 2.07 -0.77 -1.86 116.25 119.18 2klo h VAL 53 Ca 0.21 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.38 2klo h VAL 53 Cb 0.04 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 2klo h VAL 53 CO -0.03 0.13 -0.06 0.25 0.02 0.00 0.00 177.57 177.88 2klo h LEU 54 N 0.05 -0.33 -1.33 2.57 5.85 -0.84 0.17 115.31 121.45 2klo h LEU 54 Ca 0.04 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2klo h LEU 54 Cb 0.17 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2klo h LEU 54 CO -0.00 -0.12 0.46 -0.09 -0.34 0.00 0.00 178.44 178.35 2klo h ARG 55 N 0.06 0.89 -0.01 1.25 2.43 -0.97 -0.56 114.38 117.47 2klo h ARG 55 Ca 0.25 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2klo h ARG 55 Cb 0.38 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2klo h ARG 55 CO -0.46 0.59 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.67 2klo h ASN 56 N 0.92 0.02 -0.76 -3.80 2.35 -0.17 -2.38 115.58 111.76 2klo h ASN 56 Ca 0.26 -0.53 0.07 0.00 -0.55 0.00 0.00 56.30 55.56 2klo h ASN 56 Cb -0.07 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.23 2klo h ASN 56 CO -0.06 0.54 0.43 0.58 -1.65 0.00 0.00 177.43 177.27 2klo h VAL 57 N -0.50 0.95 -0.47 2.81 2.07 -0.42 -1.76 116.25 118.93 2klo h VAL 57 Ca 0.00 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 2klo h VAL 57 Cb 0.54 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2klo h VAL 57 CO 0.00 0.14 -0.24 -0.26 0.02 0.00 0.00 177.57 177.24 2klo h PHE 58 N 0.77 1.13 -0.14 1.57 -1.00 -1.14 -2.09 116.94 116.04 2klo h PHE 58 Ca 0.35 -0.28 -0.07 0.00 2.81 0.00 0.00 57.97 60.78 2klo h PHE 58 Cb 0.26 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2klo h PHE 58 CO -0.07 1.11 -0.23 -0.24 -1.61 0.00 0.00 178.31 177.27 2klo h VAL 59 N 0.84 1.23 0.00 -0.55 3.04 -0.85 -2.75 116.25 117.21 2klo h VAL 59 Ca 0.10 -1.07 -0.13 0.00 -1.01 0.00 0.00 66.70 64.60 2klo h VAL 59 Cb 0.82 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 2klo h VAL 59 CO 0.07 0.33 -0.60 -1.28 -1.01 0.00 0.00 177.57 175.08 2klo h SER 60 N 0.23 0.00 0.88 3.17 0.87 -1.15 -3.24 113.55 114.31 2klo h SER 60 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2klo h SER 60 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2klo h SER 60 CO 0.04 0.60 0.00 -0.08 -0.53 0.00 0.00 176.83 176.85 2klo h GLU 61 N 0.00 0.00 0.00 2.24 4.57 -1.07 -3.47 114.58 116.86 2klo h GLU 61 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2klo h GLU 61 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2klo h GLU 61 CO 0.08 0.00 0.00 -2.13 -1.18 0.00 0.00 179.01 175.78 2klo n ARG 62 N -2.87 0.00 -4.72 1.92 3.00 -1.22 -5.00 116.66 107.77 2klo n ARG 62 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 2klo n ARG 62 Cb 0.27 -2.56 -0.16 0.00 0.00 0.00 0.00 32.46 30.00 2klo n ARG 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2klo s LYS 63 N -0.12 1.78 0.00 -0.14 -2.85 -1.26 -5.03 119.74 112.13 2klo s LYS 63 Ca 0.00 -0.52 0.29 0.00 -1.00 0.00 0.00 55.97 54.74 2klo s LYS 63 Cb 0.00 -1.49 1.44 0.00 -2.06 0.00 0.00 37.83 35.71 2klo s LYS 63 CO 0.00 0.13 1.99 -0.35 0.10 0.00 0.00 175.35 177.23 2klo n PRO 64 N 3.48 0.38 -4.09 1.78 -0.04 -1.26 -4.72 135.00 130.53 2klo n PRO 64 Ca -0.20 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 2klo n PRO 64 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.60 0.58 0.16 0.55 0.00 -1.26 -1.69 121.76 117.50 2klo s ALA 65 Ca 0.26 -0.00 0.09 0.00 0.00 0.00 0.00 51.96 52.31 2klo s ALA 65 Cb 0.19 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2klo s ALA 65 CO 0.45 -0.05 -0.20 -0.51 0.00 0.00 0.00 175.76 175.45 2klo s LEU 66 N 0.98 2.42 0.53 0.00 1.02 -0.60 -4.97 118.68 118.05 2klo s LEU 66 Ca -0.10 -0.84 -0.20 0.00 0.02 0.00 0.00 54.13 53.01 2klo s LEU 66 Cb -0.14 -0.89 -0.06 0.00 0.02 0.00 0.00 46.19 45.11 2klo s LEU 66 CO -0.01 0.01 1.11 -0.89 0.02 0.00 0.00 176.35 176.59 2klo s THR 67 N -1.85 3.28 0.17 5.49 2.01 -1.26 -0.95 115.64 122.53 2klo s THR 67 Ca 0.15 0.80 -0.19 0.00 0.31 0.00 0.00 61.69 62.76 2klo s THR 67 Cb -0.07 -3.33 0.11 0.00 0.01 0.00 0.00 72.50 69.22 2klo s THR 67 CO 0.07 -0.16 1.63 -0.03 -0.69 0.00 0.00 174.62 175.43 2klo h MET 68 N 1.30 -0.13 -0.79 4.92 4.05 -1.08 -1.46 114.93 121.74 2klo h MET 68 Ca -0.50 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 58.94 2klo h MET 68 Cb 1.25 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.04 2klo h MET 68 CO 0.57 -0.08 0.53 1.49 0.23 0.00 0.00 176.91 179.65 2klo h GLU 69 N -0.13 1.04 0.48 0.39 4.81 -1.92 -0.34 114.58 118.91 2klo h GLU 69 Ca 0.20 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2klo h GLU 69 Cb 0.45 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2klo h GLU 69 CO -0.50 0.69 -0.23 0.28 -0.73 0.00 0.00 179.01 178.52 2klo h VAL 70 N 1.07 0.46 0.00 0.32 2.07 -1.66 -2.53 116.25 115.99 2klo h VAL 70 Ca 0.29 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2klo h VAL 70 Cb -0.12 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2klo h VAL 70 CO -0.06 0.06 -0.12 0.58 0.02 0.00 0.00 177.57 178.04 2klo h VAL 71 N -0.88 0.98 0.46 2.57 2.07 -1.27 -2.34 116.25 117.84 2klo h VAL 71 Ca -0.07 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2klo h VAL 71 Cb 0.58 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2klo h VAL 71 CO 0.11 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.56 2klo h ALA 73 N -1.56 0.46 -0.54 0.00 0.00 -1.41 -1.30 119.26 114.90 2klo h ALA 73 Ca -0.06 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2klo h ALA 73 Cb 0.53 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2klo h ALA 73 CO 0.08 -0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.43 2klo h ARG 74 N 0.27 0.13 0.00 0.00 2.47 -1.32 -0.22 114.38 115.71 2klo h ARG 74 Ca 0.19 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.67 2klo h ARG 74 Cb 0.19 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 2klo h ARG 74 CO -0.21 0.08 -1.25 1.98 0.56 0.00 0.00 179.97 181.13 2klo h MET 75 N 0.13 0.00 -0.25 0.04 4.05 -0.45 -3.39 114.93 115.07 2klo h MET 75 Ca 0.26 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.63 2klo h MET 75 Cb 0.85 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 2klo h MET 75 CO -0.03 1.00 -0.05 -0.24 0.23 0.00 0.00 176.91 177.82 2klo h VAL 76 N -0.98 1.18 0.00 -5.77 3.04 -1.11 -2.38 116.25 110.23 2klo h VAL 76 Ca -0.35 -0.75 -0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2klo h VAL 76 Cb 1.31 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2klo h VAL 76 CO -0.20 0.25 -0.02 -0.78 -1.01 0.00 0.00 177.57 175.80 2klo h ASP 77 N 0.37 0.00 0.02 3.17 3.58 -1.24 -0.70 116.42 121.62 2klo h ASP 77 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2klo h ASP 77 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2klo h ASP 77 CO 0.01 0.02 0.00 -0.24 -2.88 0.00 0.00 179.24 176.15 2klo n SER 78 N -3.36 0.00 0.00 2.28 2.88 -0.90 -3.48 113.62 111.05 2klo n SER 78 Ca -0.02 -0.56 0.04 0.00 -1.33 0.00 0.00 58.87 56.99 2klo n SER 78 Cb 0.13 -0.02 0.16 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.49 0.60 0.00 0.00 10.64 -1.23 -4.02 117.38 121.88 2klo n GLN 80 Ca 0.02 -0.26 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 2klo n GLN 80 Cb 0.09 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 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 2.63 0.00 -2.38 -0.39 5.66 -1.26 -5.07 114.28 113.46 2klo n THR 81 Ca 0.11 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.09 2klo n THR 81 Cb 0.28 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.11 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 2.02 -2.18 1.79 0.00 -1.26 -5.14 120.51 112.75 2klo n ALA 82 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 2klo n ALA 82 Cb 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.11 2.39 0.37 0.00 0.05 -1.26 -4.93 118.68 113.18 2klo s LEU 83 Ca 0.05 -1.05 -0.05 0.00 0.05 0.00 0.00 54.13 53.13 2klo s LEU 83 Cb 0.23 -0.03 -0.05 0.00 -2.05 0.00 0.00 46.19 44.29 2klo s LEU 83 CO -0.07 -0.51 0.64 -0.44 -0.55 0.00 0.00 176.35 175.42 2klo s SER 84 N -3.06 6.38 0.47 1.48 0.01 -1.26 -4.85 113.70 112.87 2klo s SER 84 Ca 0.15 0.77 0.13 0.00 1.31 0.00 0.00 55.95 58.30 2klo s SER 84 Cb 0.06 -2.17 1.11 0.00 0.21 0.00 0.00 66.02 65.22 2klo s SER 84 CO -0.03 -0.34 2.09 1.55 0.41 0.00 0.00 173.24 176.92 2klo h PRO 85 N 1.06 0.23 -0.00 12.44 0.13 -1.94 -2.76 132.00 141.16 2klo h PRO 85 Ca -0.48 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 2klo h PRO 85 Cb 1.20 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2klo h PRO 85 CO 0.64 0.15 -0.55 0.78 -0.23 0.00 0.00 178.00 178.79 2klo h GLY 86 N 0.24 0.01 1.15 1.56 0.00 -1.99 -3.09 103.07 100.94 2klo h GLY 86 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2klo h GLY 86 CO -0.02 0.01 0.45 0.83 0.00 0.00 0.00 176.54 177.81 2klo h GLU 87 N 0.01 1.12 -0.24 4.80 4.39 -1.90 -1.30 114.58 121.47 2klo h GLU 87 Ca -0.01 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.61 2klo h GLU 87 Cb 0.98 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2klo h GLU 87 CO 0.07 0.82 0.03 1.98 -1.16 0.00 0.00 179.01 180.75 2klo h MET 88 N 1.13 0.11 -0.33 2.33 4.05 -1.64 -1.62 114.93 118.95 2klo h MET 88 Ca 0.29 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.66 2klo h MET 88 Cb 0.02 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2klo h MET 88 CO -0.05 0.07 0.03 0.93 0.23 0.00 0.00 176.91 178.13 2klo h GLU 89 N 0.11 0.50 -0.65 0.39 5.08 -1.40 -1.51 114.58 117.10 2klo h GLU 89 Ca 0.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2klo h GLU 89 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2klo h GLU 89 CO -0.16 0.51 0.37 0.87 -1.00 0.00 0.00 179.01 179.59 2klo h LYS 90 N 0.49 0.89 -0.17 2.33 1.57 -0.31 -1.97 116.57 119.40 2klo h LYS 90 Ca 0.11 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2klo h LYS 90 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2klo h LYS 90 CO 0.00 0.65 -0.47 1.25 -0.57 0.00 0.00 179.45 180.31 2klo h HIS 91 N 0.90 0.54 -0.17 -1.35 2.76 -0.79 -2.28 115.15 114.76 2klo h HIS 91 Ca 0.23 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2klo h HIS 91 Cb 0.01 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 2klo h HIS 91 CO 0.00 0.83 0.08 -0.07 -1.30 0.00 0.00 177.93 177.48 2klo h LEU 92 N 0.36 0.23 -0.14 0.26 3.38 -0.83 -1.49 115.31 117.07 2klo h LEU 92 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2klo h LEU 92 Cb 0.96 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2klo h LEU 92 CO 0.08 0.30 0.03 1.62 0.09 0.00 0.00 178.44 180.56 2klo h VAL 93 N 0.14 1.21 -0.11 1.22 3.04 -1.45 -2.68 116.25 117.62 2klo h VAL 93 Ca 0.06 -0.67 0.02 0.00 -1.01 0.00 0.00 66.70 65.10 2klo h VAL 93 Cb 0.13 1.38 -0.05 0.00 -2.01 0.00 0.00 31.29 30.75 2klo h VAL 93 CO -0.01 0.20 -0.38 0.25 -1.01 0.00 0.00 177.57 176.62 2klo h LEU 94 N 0.02 -1.21 -0.54 3.16 5.85 -1.29 -2.00 115.31 119.31 2klo h LEU 94 Ca 0.04 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2klo h LEU 94 Cb 0.28 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2klo h LEU 94 CO 0.00 -0.33 0.10 -0.07 -0.34 0.00 0.00 178.44 177.80 2klo h LEU 95 N -0.40 0.84 -2.38 2.25 4.07 -1.35 0.13 115.31 118.48 2klo h LEU 95 Ca 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 2klo h LEU 95 Cb 0.47 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2klo h LEU 95 CO -0.31 0.88 -0.04 0.00 -1.08 0.00 0.00 178.44 177.89 2klo h ALA 96 N 0.99 1.29 0.03 1.53 0.00 -1.28 -1.34 119.26 120.49 2klo h ALA 96 Ca 0.16 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 2klo h ALA 96 Cb 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2klo h ALA 96 CO 0.01 0.04 -2.20 -1.91 0.00 0.00 0.00 179.25 175.20 2klo n GLU 97 N -3.55 0.69 0.19 0.00 4.07 -0.77 -3.16 120.64 118.11 2klo n GLU 97 Ca -0.02 0.17 0.07 0.00 -0.06 0.00 0.00 57.16 57.31 2klo n GLU 97 Cb 0.14 -1.62 0.33 0.00 -0.06 0.00 0.00 31.44 30.23 2klo n GLU 97 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2klo h LEU 98 N 0.02 0.00 -5.75 4.31 3.38 -0.52 -3.38 115.31 113.37 2klo h LEU 98 Ca -0.48 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.04 2klo h LEU 98 Cb 2.03 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 42.47 2klo h LEU 98 CO 0.01 0.34 -0.89 0.00 0.09 0.00 0.00 178.44 177.99 2klo n LEU 99 N -3.44 -0.96 0.00 1.67 -0.00 -0.52 -4.86 117.00 108.88 2klo n LEU 99 Ca 0.00 -4.17 0.06 0.00 -0.00 0.00 0.00 56.01 51.91 2klo n LEU 99 Cb 0.51 0.68 0.29 0.00 -0.00 0.00 0.00 43.42 44.90 2klo n LEU 99 CO 0.36 2.00 0.71 -0.81 -0.00 0.00 0.00 177.39 179.66 2klo n PRO 100 N 1.86 0.01 0.18 1.47 -0.04 -1.19 -2.11 135.00 135.17 2klo n PRO 100 Ca 0.20 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2klo n PRO 100 Cb 0.55 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.78 2klo n PRO 100 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2klo h ASP 101 N 0.00 0.00 0.08 3.54 2.03 -1.94 -3.33 116.42 116.80 2klo h ASP 101 Ca 0.00 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.93 2klo h ASP 101 Cb 0.23 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.68 2klo h ASP 101 CO 0.00 0.00 -2.22 1.87 -1.03 0.00 0.00 179.24 177.86 2klo n TRP 102 N -2.81 0.62 -4.42 4.15 -0.00 -0.90 -4.83 117.44 109.25 2klo n TRP 102 Ca 0.04 0.14 -0.34 0.00 -0.00 0.00 0.00 57.50 57.35 2klo n TRP 102 Cb 0.49 -1.08 -0.15 0.00 -0.00 0.00 0.00 31.31 30.57 2klo n TRP 102 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2klo s LEU 103 N -6.66 2.64 -0.08 5.87 1.43 -1.20 -3.29 118.68 117.39 2klo s LEU 103 Ca -0.26 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2klo s LEU 103 Cb 0.08 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.69 2klo s LEU 103 CO 0.70 0.08 -0.15 -0.44 0.23 0.00 0.00 176.35 176.77 2klo s SER 104 N 0.85 2.13 -0.19 2.29 0.01 -0.46 -4.55 113.70 113.79 2klo s SER 104 Ca -0.04 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 2klo s SER 104 Cb -0.15 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 2klo s SER 104 CO 0.00 0.06 0.34 -0.76 0.41 0.00 0.00 173.24 173.29 2klo s LEU 105 N 0.62 4.18 -0.17 2.44 1.43 -1.26 -0.70 118.68 125.21 2klo s LEU 105 Ca -0.15 0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2klo s LEU 105 Cb -0.16 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.68 2klo s LEU 105 CO 0.04 -0.00 -0.04 -1.38 0.23 0.00 0.00 176.35 175.21 2klo s HIS 106 N 1.01 1.64 -0.13 0.29 -3.43 -0.34 -5.00 115.29 109.33 2klo s HIS 106 Ca 0.17 -1.09 -0.25 0.00 -0.80 0.00 0.00 55.06 53.09 2klo s HIS 106 Cb -0.14 -1.28 -0.02 0.00 -1.43 0.00 0.00 32.58 29.71 2klo s HIS 106 CO 0.06 -0.62 0.80 0.50 -2.00 0.00 0.00 174.74 173.48 2klo s ARG 107 N 1.65 4.35 0.13 -0.38 3.00 -1.26 -0.77 118.95 125.67 2klo s ARG 107 Ca -0.00 0.98 0.09 0.00 -1.00 0.00 0.00 55.73 55.80 2klo s ARG 107 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 34.95 31.22 2klo s ARG 107 CO -0.07 -0.20 -0.18 0.42 0.00 0.00 0.00 175.30 175.26 2klo s ILE 108 N 1.71 2.81 0.66 4.11 -1.09 0.14 -4.98 121.20 124.57 2klo s ILE 108 Ca 0.38 -1.58 0.31 0.00 -2.23 0.00 0.00 60.65 57.53 2klo s ILE 108 Cb -0.17 -2.31 0.31 0.00 -1.58 0.00 0.00 42.46 38.71 2klo s ILE 108 CO 0.15 0.06 1.94 0.08 -1.23 0.00 0.00 174.94 175.94 2klo h ARG 109 N 3.60 0.00 0.03 2.79 0.11 -2.02 -0.90 114.38 117.98 2klo h ARG 109 Ca -0.49 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.22 2klo h ARG 109 Cb 1.18 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.20 2klo h ARG 109 CO 0.47 0.00 -2.23 -2.37 0.10 0.00 0.00 179.97 175.93 2klo n THR 110 N -2.89 1.55 -3.71 0.08 5.66 -1.26 -5.08 114.28 108.63 2klo n THR 110 Ca -0.02 -0.70 0.03 0.00 -3.05 0.00 0.00 64.05 60.32 2klo n THR 110 Cb 0.36 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 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 -6.31 -0.01 0.27 1.09 -1.08 -0.34 -5.17 116.67 105.11 2klo s ASP 111 Ca -0.21 -0.05 -0.10 0.00 -0.52 0.00 0.00 52.55 51.66 2klo s ASP 111 Cb 0.08 0.05 -0.07 0.00 -1.46 0.00 0.00 42.92 41.52 2klo s ASP 111 CO 0.73 -0.10 0.60 -0.89 0.52 0.00 0.00 175.17 176.03 2klo s THR 112 N -2.09 4.89 0.16 1.71 2.01 -1.26 -0.68 115.64 120.38 2klo s THR 112 Ca 0.20 0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.67 2klo s THR 112 Cb 0.05 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2klo s THR 112 CO -0.05 -0.17 0.14 -0.31 -0.69 0.00 0.00 174.62 173.55 2klo s TYR 113 N -1.93 0.83 -0.05 4.92 1.51 0.05 -0.48 117.35 122.20 2klo s TYR 113 Ca 0.48 -1.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2klo s TYR 113 Cb -0.11 -0.38 0.02 0.00 -0.11 0.00 0.00 41.96 41.38 2klo s TYR 113 CO 0.23 -0.62 -0.08 0.08 -1.11 0.00 0.00 175.55 174.05 2klo s VAL 114 N -4.06 0.80 -0.03 0.71 1.01 -0.13 -1.19 120.40 117.51 2klo s VAL 114 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2klo s VAL 114 Cb 0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2klo s VAL 114 CO 0.05 0.28 0.13 -0.75 0.00 0.00 0.00 175.10 174.80 2klo s LYS 115 N 0.76 3.27 0.04 2.72 2.36 0.12 -1.56 119.74 127.46 2klo s LYS 115 Ca -0.13 -0.36 -0.04 0.00 -2.55 0.00 0.00 55.97 52.90 2klo s LYS 115 Cb -0.15 -3.01 -0.02 0.00 -1.05 0.00 0.00 37.83 33.61 2klo s LYS 115 CO 0.02 0.68 0.05 -1.17 1.55 0.00 0.00 175.35 176.48 2klo s LEU 116 N -1.67 2.02 -0.27 5.43 2.96 -0.68 -1.35 118.68 125.12 2klo s LEU 116 Ca 0.23 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2klo s LEU 116 Cb -0.12 0.45 0.07 0.00 0.50 0.00 0.00 46.19 47.09 2klo s LEU 116 CO 0.14 -0.51 -0.05 -0.62 -1.32 0.00 0.00 176.35 173.99 2klo s ASP 117 N -2.26 4.27 0.49 3.68 2.15 -1.21 -4.79 116.67 119.00 2klo s ASP 117 Ca -0.03 -1.48 0.33 0.00 0.43 0.00 0.00 52.55 51.80 2klo s ASP 117 Cb 0.00 -1.39 1.46 0.00 -0.30 0.00 0.00 42.92 42.69 2klo s ASP 117 CO -0.06 -0.26 1.97 0.11 -0.17 0.00 0.00 175.17 176.77 2klo h LYS 118 N 7.83 0.00 0.00 4.34 1.57 -1.96 -3.06 116.57 125.29 2klo h LYS 118 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2klo h LYS 118 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2klo h LYS 118 CO 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 2klo n ALA 119 N -1.99 1.98 -1.77 3.86 0.00 -1.26 -4.85 120.51 116.47 2klo n ALA 119 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 2klo n ALA 119 Cb 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.05 2.21 -0.65 0.00 1.01 -1.16 -4.86 120.40 113.91 2klo s VAL 120 Ca 0.10 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 2klo s VAL 120 Cb 0.13 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2klo s VAL 120 CO 0.42 0.04 2.09 -1.81 0.00 0.00 0.00 175.10 175.84 2klo s ASP 121 N -0.39 4.85 0.38 3.32 1.11 -1.26 -4.85 116.67 119.83 2klo s ASP 121 Ca 0.56 0.33 0.08 0.00 0.18 0.00 0.00 52.55 53.70 2klo s ASP 121 Cb -0.44 -2.53 0.83 0.00 1.07 0.00 0.00 42.92 41.86 2klo s ASP 121 CO 0.58 -2.76 1.95 0.25 1.18 0.00 0.00 175.17 176.37 2klo h LEU 122 N 18.30 0.58 -1.04 1.23 7.12 -1.92 -1.38 115.31 138.20 2klo h LEU 122 Ca -0.16 0.01 0.02 0.00 0.13 0.00 0.00 57.88 57.88 2klo h LEU 122 Cb 1.15 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 41.11 2klo h LEU 122 CO 1.18 0.36 0.65 0.00 -0.13 0.00 0.00 178.44 180.49 2klo h ALA 123 N 1.63 1.32 -0.16 1.25 0.00 -1.99 0.16 119.26 121.47 2klo h ALA 123 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2klo h ALA 123 Cb 0.39 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2klo h ALA 123 CO -0.11 0.61 -0.19 0.78 0.00 0.00 0.00 179.25 180.34 2klo h GLY 124 N 1.30 0.44 0.60 0.00 0.00 -1.70 -2.47 103.07 101.24 2klo h GLY 124 Ca 0.37 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2klo h GLY 124 CO -0.09 0.43 -0.25 1.41 0.00 0.00 0.00 176.54 178.03 2klo h LEU 125 N 0.04 -0.70 -0.95 3.11 3.38 -0.68 -1.03 115.31 118.47 2klo h LEU 125 Ca 0.02 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2klo h LEU 125 Cb 0.74 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2klo h LEU 125 CO 0.05 -0.35 0.58 0.74 0.09 0.00 0.00 178.44 179.55 2klo h THR 126 N -0.48 0.90 0.70 0.22 2.02 -0.75 -0.43 112.91 115.10 2klo h THR 126 Ca 0.02 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2klo h THR 126 Cb 0.49 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2klo h THR 126 CO -0.12 0.17 -0.34 0.00 0.37 0.00 0.00 175.52 175.60 2klo h ALA 127 N 1.52 -0.95 0.00 6.16 0.00 -0.80 -0.84 119.26 124.36 2klo h ALA 127 Ca 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2klo h ALA 127 Cb 0.48 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2klo h ALA 127 CO -0.27 -0.98 -0.04 0.07 0.00 0.00 0.00 179.25 178.04 2klo h ARG 128 N -1.06 0.00 0.41 0.00 0.11 -0.93 -1.66 114.38 111.25 2klo h ARG 128 Ca -0.10 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 2klo h ARG 128 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2klo h ARG 128 CO 0.16 0.04 -0.20 1.25 0.10 0.00 0.00 179.97 181.32 2klo h LEU 129 N 0.00 -0.47 -2.10 0.08 6.46 -0.96 -3.24 115.31 115.09 2klo h LEU 129 Ca -0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2klo h LEU 129 Cb 0.07 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2klo h LEU 129 CO 0.00 -0.25 0.00 0.00 -0.62 0.00 0.00 178.44 177.58 2klo h ALA 130 N -1.57 1.00 0.00 1.25 0.00 -0.99 -2.56 119.26 116.38 2klo h ALA 130 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2klo h ALA 130 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2klo h ALA 130 CO 0.09 0.00 -0.20 1.25 0.00 0.00 0.00 179.25 180.39 2klo h HIS 131 N 0.00 0.00 -6.30 0.00 6.17 -1.32 -3.48 115.15 110.21 2klo h HIS 131 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 60.37 60.75 2klo h HIS 131 Cb 0.04 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.98 2klo h HIS 131 CO 0.00 0.20 -0.80 0.72 0.71 0.00 0.00 177.93 178.76 2klo n HIS 132 N -4.09 -2.43 -0.09 5.26 -0.00 -0.97 -4.96 115.22 107.94 2klo n HIS 132 Ca -0.02 0.98 -0.10 0.00 -0.00 0.00 0.00 57.72 58.58 2klo n HIS 132 Cb 0.27 -3.06 -0.11 0.00 -0.00 0.00 0.00 29.99 27.09 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo n VAL 133 N -2.01 1.11 -1.04 1.59 0.31 -1.26 -4.51 118.33 112.53 2klo n VAL 133 Ca -0.19 -0.59 0.09 0.00 -0.01 0.00 0.00 64.34 63.63 2klo n VAL 133 Cb 0.63 -0.80 0.22 0.00 -0.91 0.00 0.00 33.84 32.99 2klo n VAL 133 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2klo n HIS 134 N -2.76 0.67 0.00 3.52 -0.00 -1.26 -4.71 115.22 110.67 2klo n HIS 134 Ca -0.29 -0.94 0.00 0.00 -0.00 0.00 0.00 57.72 56.49 2klo n HIS 134 Cb 0.97 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.69 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 -0.81 0.00 -0.63 1.57 0.00 -1.26 -4.86 120.51 114.51 2klo n ALA 135 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2klo n ALA 135 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.00 -0.77 0.00 0.00 0.28 -1.26 -1.98 120.64 114.91 2klo n GLU 136 Ca 0.00 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2klo n GLU 136 Cb 0.00 -4.42 0.00 0.00 1.43 0.00 0.00 31.44 28.45 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 -0.71 -0.55 0.00 -1.84 0.00 -1.26 -5.23 105.19 95.60 2klo n GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36