#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klo s ALA 2 N 0.00 2.36 0.74 0.55 0.00 -1.26 -5.07 121.76 119.08 2klo s ALA 2 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2klo s ALA 2 Cb 0.00 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.11 2klo s ALA 2 CO 0.00 -1.69 1.11 0.00 0.00 0.00 0.00 175.76 175.17 2klo s ALA 3 N -3.28 2.85 -0.44 0.00 0.00 -1.26 -5.06 121.76 114.58 2klo s ALA 3 Ca 0.61 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.07 2klo s ALA 3 Cb -0.13 -2.91 0.24 0.00 0.00 0.00 0.00 23.12 20.31 2klo s ALA 3 CO 0.53 -1.36 0.66 0.43 0.00 0.00 0.00 175.76 176.02 2klo n SER 4 N -3.09 -1.22 -3.61 0.00 7.64 -1.26 -5.15 113.62 106.93 2klo n SER 4 Ca 0.07 -2.92 -0.27 0.00 1.01 0.00 0.00 58.87 56.76 2klo n SER 4 Cb 0.59 0.43 0.21 0.00 -1.01 0.00 0.00 64.21 64.43 2klo n SER 4 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2klo n PRO 5 N 1.66 -2.00 -3.45 1.43 -0.04 -1.26 -5.11 135.00 126.23 2klo n PRO 5 Ca 0.17 -1.75 -0.12 0.00 -0.04 0.00 0.00 63.50 61.76 2klo n PRO 5 Cb 0.57 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 2klo n PRO 5 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2klo s SER 6 N -4.87 -0.53 0.31 3.54 0.01 -1.26 -5.18 113.70 105.72 2klo s SER 6 Ca 0.67 0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.88 2klo s SER 6 Cb -0.04 0.55 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2klo s SER 6 CO 0.49 -0.86 0.58 0.00 0.41 0.00 0.00 173.24 173.86 2klo s ALA 7 N -3.37 -0.19 -1.26 1.44 0.00 -1.26 -4.96 121.76 112.17 2klo s ALA 7 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2klo s ALA 7 Cb -0.01 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.08 2klo s ALA 7 CO -0.10 -0.89 0.00 1.28 0.00 0.00 0.00 175.76 176.05 2klo n LEU 8 N -0.48 -0.90 -4.68 0.00 4.32 -1.26 -4.91 117.00 109.09 2klo n LEU 8 Ca -0.03 0.29 -0.42 0.00 -0.02 0.00 0.00 56.01 55.83 2klo n LEU 8 Cb 0.61 -1.88 -0.03 0.00 -1.62 0.00 0.00 43.42 40.50 2klo n LEU 8 CO 0.25 -0.60 1.15 -0.75 -1.22 0.00 0.00 177.39 176.22 2klo s LYS 9 N -3.16 4.26 -0.18 3.23 2.47 -1.26 -4.97 119.74 120.13 2klo s LYS 9 Ca 0.00 1.98 -0.32 0.00 -1.56 0.00 0.00 55.97 56.08 2klo s LYS 9 Cb 0.00 -3.63 0.14 0.00 -1.46 0.00 0.00 37.83 32.88 2klo s LYS 9 CO 0.00 -0.62 1.15 0.20 0.16 0.00 0.00 175.35 176.24 2klo s GLY 10 N 2.07 -0.22 0.10 5.54 0.00 -1.26 -5.20 107.32 108.34 2klo s GLY 10 Ca 0.65 1.90 -0.25 0.00 0.00 0.00 0.00 44.72 47.01 2klo s GLY 10 CO 0.26 0.76 0.80 0.54 0.00 0.00 0.00 173.10 175.45 2klo s VAL 11 N -1.88 0.00 -2.00 1.40 0.11 -1.26 -5.04 120.40 111.73 2klo s VAL 11 Ca 0.06 -0.23 0.18 0.00 -2.93 0.00 0.00 61.98 59.06 2klo s VAL 11 Cb -0.01 -1.29 0.52 0.00 -1.53 0.00 0.00 36.38 34.07 2klo s VAL 11 CO -0.04 0.00 1.50 -1.54 -3.33 0.00 0.00 175.10 171.68 2klo n SER 12 N -0.35 0.00 0.02 3.54 3.41 -1.26 -3.63 113.62 115.35 2klo n SER 12 Ca -0.10 -0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 57.78 2klo n SER 12 Cb 0.62 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 2klo n SER 12 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2klo h GLN 13 N 0.00 -0.04 0.00 4.33 1.08 -1.98 -0.59 115.11 117.91 2klo h GLN 13 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2klo h GLN 13 Cb 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2klo h GLN 13 CO 0.00 0.28 0.00 0.00 -0.95 0.00 0.00 178.83 178.16 2klo n ALA 14 N -2.27 1.36 -0.10 3.87 0.00 -1.24 -1.14 120.51 120.99 2klo n ALA 14 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 2klo n ALA 14 Cb 0.18 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 2klo n ALA 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2klo n LEU 15 N -1.47 1.88 0.26 0.00 7.94 -1.06 -4.48 117.00 120.07 2klo n LEU 15 Ca 0.02 0.45 0.12 0.00 -1.11 0.00 0.00 56.01 55.49 2klo n LEU 15 Cb 0.08 -0.86 0.69 0.00 0.53 0.00 0.00 43.42 43.87 2klo n LEU 15 CO 0.07 -0.00 0.96 -0.07 -1.11 0.00 0.00 177.39 177.24 2klo h LEU 16 N -1.00 0.00 -2.21 -1.96 4.07 -0.76 -2.95 115.31 110.49 2klo h LEU 16 Ca -0.25 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.76 2klo h LEU 16 Cb 1.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 2klo h LEU 16 CO -0.15 0.13 0.16 1.05 -1.08 0.00 0.00 178.44 178.55 2klo h GLU 17 N 0.00 0.00 0.00 1.13 -0.00 -1.35 -1.20 114.58 113.16 2klo h GLU 17 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2klo h GLU 17 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2klo h GLU 17 CO 0.02 0.00 0.00 0.07 -0.00 0.00 0.00 179.01 179.10 2klo h ARG 18 N 0.00 0.00 0.00 1.06 0.11 -1.78 -3.16 114.38 110.60 2klo h ARG 18 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 2klo h ARG 18 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2klo h ARG 18 CO -0.00 0.00 0.00 -0.89 0.10 0.00 0.00 179.97 179.18 2klo n ILE 19 N -2.37 0.00 0.11 0.08 5.41 -0.45 -3.33 119.36 118.80 2klo n ILE 19 Ca 0.00 1.18 0.20 0.00 1.00 0.00 0.00 62.75 65.14 2klo n ILE 19 Cb 0.16 -2.15 0.72 0.00 -0.71 0.00 0.00 39.64 37.66 2klo n ILE 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2klo h ARG 20 N 0.00 0.00 0.00 0.38 -0.00 -1.75 0.18 114.38 113.19 2klo h ARG 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2klo h ARG 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2klo h ARG 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.97 2klo h ALA 21 N 1.37 1.00 0.03 0.08 0.00 -1.55 -2.05 119.26 118.14 2klo h ALA 21 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 2klo h ALA 21 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2klo h ALA 21 CO -0.00 0.00 -1.35 0.87 0.00 0.00 0.00 179.25 178.76 2klo h LYS 22 N 0.00 0.07 0.17 0.00 1.57 -0.72 -3.36 116.57 114.30 2klo h LYS 22 Ca 0.00 -0.12 -0.27 0.00 -1.87 0.00 0.00 60.65 58.39 2klo h LYS 22 Cb 0.21 0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.59 2klo h LYS 22 CO 0.00 0.88 -1.27 0.93 -0.57 0.00 0.00 179.45 179.42 2klo h GLU 23 N 0.02 0.37 0.00 3.15 3.07 -1.57 -3.33 114.58 116.29 2klo h GLU 23 Ca -0.15 -0.63 0.00 0.00 -0.50 0.00 0.00 59.36 58.08 2klo h GLU 23 Cb 1.91 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 30.05 2klo h GLU 23 CO 0.12 1.30 0.00 1.55 -1.40 0.00 0.00 179.01 180.58 2klo n VAL 24 N -3.90 1.11 0.30 3.13 3.14 -0.82 -3.28 118.33 118.01 2klo n VAL 24 Ca -0.19 0.71 0.16 0.00 -2.96 0.00 0.00 64.34 62.06 2klo n VAL 24 Cb 0.95 -1.70 0.80 0.00 -1.06 0.00 0.00 33.84 32.83 2klo n VAL 24 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2klo h GLN 25 N 0.00 0.00 -0.62 1.45 4.20 -1.71 -2.14 115.11 116.29 2klo h GLN 25 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2klo h GLN 25 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2klo h GLN 25 CO 0.00 0.00 0.41 0.87 -0.67 0.00 0.00 178.83 179.44 2klo h LYS 26 N 0.00 0.80 0.00 1.46 1.79 -1.86 -2.18 116.57 116.58 2klo h LYS 26 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2klo h LYS 26 Cb 0.74 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2klo h LYS 26 CO -0.00 0.53 -0.56 1.04 -1.08 0.00 0.00 179.45 179.38 2klo n GLN 27 N -4.45 0.10 0.29 3.15 1.13 -0.80 -3.88 117.38 112.92 2klo n GLN 27 Ca 0.07 0.02 0.17 0.00 -1.94 0.00 0.00 57.00 55.32 2klo n GLN 27 Cb 0.06 -1.56 0.87 0.00 0.11 0.00 0.00 30.24 29.72 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 -9.17 1.08 -0.00 -1.47 -3.43 115.31 102.31 2klo h LEU 28 Ca 0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 57.88 57.16 2klo h LEU 28 Cb 0.59 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.26 2klo h LEU 28 CO 0.00 0.05 0.88 0.00 -0.00 0.00 0.00 178.44 179.38 2klo n ALA 29 N -2.17 -0.12 -2.90 1.53 0.00 -1.24 -4.95 120.51 110.65 2klo n ALA 29 Ca -0.02 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 2klo n ALA 29 Cb 0.20 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.35 2klo n ALA 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2klo s ARG 30 N 3.31 1.13 -0.05 0.00 3.52 -1.26 -5.14 118.95 120.46 2klo s ARG 30 Ca 0.96 -0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2klo s ARG 30 Cb -1.01 0.43 0.03 0.00 -1.56 0.00 0.00 34.95 32.83 2klo s ARG 30 CO 0.62 -0.43 -0.01 -1.64 -0.81 0.00 0.00 175.30 173.03 2klo s MET 31 N -3.89 0.56 0.30 5.12 -1.94 -1.26 -5.14 119.30 113.06 2klo s MET 31 Ca 0.10 0.04 -0.18 0.00 -1.71 0.00 0.00 55.69 53.93 2klo s MET 31 Cb 0.02 -0.76 0.07 0.00 2.01 0.00 0.00 34.83 36.16 2klo s MET 31 CO -0.06 -0.18 0.90 -0.08 -0.01 0.00 0.00 175.02 175.60 2klo s THR 32 N 1.34 0.00 -0.46 2.05 -1.32 -1.26 -5.13 115.64 110.86 2klo s THR 32 Ca -0.05 -0.82 0.04 0.00 -1.21 0.00 0.00 61.69 59.65 2klo s THR 32 Cb -0.13 -2.93 0.17 0.00 -1.51 0.00 0.00 72.50 68.09 2klo s THR 32 CO -0.02 0.00 0.36 -0.13 -2.21 0.00 0.00 174.62 172.61 2klo s ARG 33 N -2.18 1.18 0.29 7.08 0.52 -1.26 -4.87 118.95 119.71 2klo s ARG 33 Ca 0.19 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.11 2klo s ARG 33 Cb -0.04 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.63 2klo s ARG 33 CO 0.09 -1.35 0.00 0.00 0.02 0.00 0.00 175.30 174.06 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.05 -2.15 132.00 127.94 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 1.05 -0.23 0.00 0.00 178.00 178.82 2klo h GLU 36 N 0.00 0.00 0.00 0.86 4.11 -1.91 -2.55 114.58 115.10 2klo h GLU 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2klo h GLU 36 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2klo h GLU 36 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 179.01 179.45 2klo h GLN 37 N 0.00 0.00 -1.01 1.06 4.15 -1.77 -3.19 115.11 114.34 2klo h GLN 37 Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.74 2klo h GLN 37 Cb 0.03 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 27.58 2klo h GLN 37 CO 0.00 0.00 0.58 1.49 -1.93 0.00 0.00 178.83 178.97 2klo h GLU 38 N 0.00 0.33 -0.95 1.69 4.81 -1.71 0.24 114.58 119.00 2klo h GLU 38 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2klo h GLU 38 Cb 0.10 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 2klo h GLU 38 CO 0.00 0.22 0.59 -0.07 -0.73 0.00 0.00 179.01 179.02 2klo h LEU 39 N 0.34 0.90 0.11 1.64 3.38 -1.85 0.28 115.31 120.11 2klo h LEU 39 Ca 0.73 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.72 2klo h LEU 39 Cb 1.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2klo h LEU 39 CO -0.59 0.53 -0.05 0.03 0.09 0.00 0.00 178.44 178.45 2klo h ARG 40 N 1.01 -0.14 -0.25 1.13 -0.00 -1.23 -2.69 114.38 112.21 2klo h ARG 40 Ca 0.44 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.99 2klo h ARG 40 Cb 0.32 0.03 -0.07 0.00 0.00 0.00 0.00 29.97 30.24 2klo h ARG 40 CO -0.22 0.34 -0.28 -0.07 0.00 0.00 0.00 179.97 179.74 2klo h LEU 41 N -0.72 -0.89 -0.07 3.04 3.38 -1.02 -0.84 115.31 118.19 2klo h LEU 41 Ca -0.01 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2klo h LEU 41 Cb 0.54 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2klo h LEU 41 CO 0.02 -0.31 -0.07 1.56 0.09 0.00 0.00 178.44 179.74 2klo h GLN 42 N -0.28 -0.08 -0.74 1.13 4.20 -0.56 0.25 115.11 119.02 2klo h GLN 42 Ca 0.14 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2klo h GLN 42 Cb 0.50 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2klo h GLN 42 CO -0.41 -0.06 0.26 0.07 -0.67 0.00 0.00 178.83 178.02 2klo h ARG 43 N -0.09 1.13 -0.38 1.46 -0.00 -1.11 -2.69 114.38 112.70 2klo h ARG 43 Ca 0.05 -0.22 -0.10 0.00 -0.00 0.00 0.00 59.98 59.71 2klo h ARG 43 Cb 0.16 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.97 29.94 2klo h ARG 43 CO -0.12 0.94 -0.18 -0.07 -0.00 0.00 0.00 179.97 180.54 2klo h LEU 44 N 1.08 0.72 -0.15 0.08 3.38 -0.81 -2.55 115.31 117.06 2klo h LEU 44 Ca 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2klo h LEU 44 Cb 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2klo h LEU 44 CO -0.01 0.90 0.00 -0.62 0.09 0.00 0.00 178.44 178.79 2klo n GLU 45 N -4.14 0.02 0.00 1.13 -0.58 0.84 -1.88 120.64 116.04 2klo n GLU 45 Ca 0.01 0.40 0.11 0.00 -0.42 0.00 0.00 57.16 57.26 2klo n GLU 45 Cb 0.40 -1.56 0.49 0.00 -0.57 0.00 0.00 31.44 30.20 2klo n GLU 45 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2klo n ARG 46 N -1.60 0.00 -0.00 3.49 3.00 -0.96 -4.11 116.66 116.48 2klo n ARG 46 Ca 0.01 0.10 -0.04 0.00 -0.00 0.00 0.00 57.85 57.93 2klo n ARG 46 Cb 0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.02 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2klo h LEU 47 N 0.00 -0.49 -1.63 6.15 3.38 -1.57 -0.94 115.31 120.21 2klo h LEU 47 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2klo h LEU 47 Cb 0.39 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2klo h LEU 47 CO 0.00 -0.14 -0.06 1.55 0.09 0.00 0.00 178.44 179.89 2klo h PRO 48 N -0.16 0.00 0.84 1.13 0.13 -1.85 -2.72 132.00 129.37 2klo h PRO 48 Ca 0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2klo h PRO 48 Cb 0.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.33 2klo h PRO 48 CO -0.13 0.06 -0.40 1.49 -0.23 0.00 0.00 178.00 178.79 2klo h GLU 49 N 0.00 -1.09 -0.55 0.86 4.22 -1.52 -0.27 114.58 116.24 2klo h GLU 49 Ca -0.00 0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.53 2klo h GLU 49 Cb 0.47 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2klo h GLU 49 CO 0.01 -0.72 0.36 -0.07 -2.18 0.00 0.00 179.01 176.41 2klo h LEU 50 N -1.19 0.60 -0.61 1.64 -0.00 -1.16 -0.48 115.31 114.11 2klo h LEU 50 Ca -0.12 -0.01 0.08 0.00 -0.00 0.00 0.00 57.88 57.83 2klo h LEU 50 Cb 0.87 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.33 2klo h LEU 50 CO 0.19 0.43 0.27 0.00 -0.00 0.00 0.00 178.44 179.34 2klo h ALA 51 N 1.22 0.79 -0.41 1.53 0.00 -1.39 0.25 119.26 121.25 2klo h ALA 51 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2klo h ALA 51 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2klo h ALA 51 CO -0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.01 2klo h ARG 52 N 0.50 0.77 -0.20 0.00 3.08 -0.46 -2.67 114.38 115.41 2klo h ARG 52 Ca 0.29 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2klo h ARG 52 Cb 0.29 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2klo h ARG 52 CO -0.24 0.89 0.07 0.28 -1.07 0.00 0.00 179.97 179.89 2klo h VAL 53 N 0.60 0.96 -0.18 2.04 2.07 -0.27 -0.67 116.25 120.79 2klo h VAL 53 Ca 0.11 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2klo h VAL 53 Cb 0.58 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2klo h VAL 53 CO 0.03 0.03 -0.24 0.25 0.02 0.00 0.00 177.57 177.66 2klo h LEU 54 N 0.16 -0.77 -1.06 2.57 5.85 -0.88 0.30 115.31 121.49 2klo h LEU 54 Ca 0.08 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2klo h LEU 54 Cb 0.05 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2klo h LEU 54 CO -0.08 -0.29 0.17 0.08 -0.34 0.00 0.00 178.44 177.97 2klo h ARG 55 N -0.28 0.84 0.17 1.25 0.11 -1.27 -1.61 114.38 113.59 2klo h ARG 55 Ca 0.12 -0.16 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2klo h ARG 55 Cb 0.46 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 2klo h ARG 55 CO -0.34 0.73 -0.20 -0.91 0.10 0.00 0.00 179.97 179.35 2klo h ASN 56 N 0.82 -0.53 0.32 0.08 2.35 0.51 -0.08 115.58 119.06 2klo h ASN 56 Ca 0.18 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2klo h ASN 56 Cb 0.25 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2klo h ASN 56 CO -0.01 -0.29 -0.24 0.58 -1.65 0.00 0.00 177.43 175.82 2klo h VAL 57 N -0.41 0.49 -0.89 2.81 2.07 -0.79 -0.75 116.25 118.78 2klo h VAL 57 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2klo h VAL 57 Cb 0.40 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2klo h VAL 57 CO -0.06 0.00 0.58 -0.26 0.02 0.00 0.00 177.57 177.84 2klo h PHE 58 N -0.57 0.96 -0.22 1.57 -1.00 -1.13 0.19 116.94 116.74 2klo h PHE 58 Ca -0.03 0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 2klo h PHE 58 Cb 0.49 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.74 2klo h PHE 58 CO -0.13 0.45 -0.38 0.28 -1.61 0.00 0.00 178.31 176.92 2klo h VAL 59 N 0.90 1.32 -0.23 -0.55 2.07 -0.77 -3.20 116.25 115.79 2klo h VAL 59 Ca 0.41 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 2klo h VAL 59 Cb 0.39 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2klo h VAL 59 CO -0.17 0.50 -0.14 -1.28 0.02 0.00 0.00 177.57 176.50 2klo h SER 60 N 0.34 0.36 0.42 0.57 0.87 0.00 -2.86 113.55 113.25 2klo h SER 60 Ca 0.01 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2klo h SER 60 Cb 0.98 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2klo h SER 60 CO 0.09 0.53 0.00 1.21 -0.53 0.00 0.00 176.83 178.13 2klo n GLU 61 N -4.22 0.11 -1.00 2.24 4.07 0.54 -4.87 120.64 117.51 2klo n GLU 61 Ca 0.00 0.44 -0.00 0.00 -0.06 0.00 0.00 57.16 57.54 2klo n GLU 61 Cb 0.31 -1.76 -0.00 0.00 -0.06 0.00 0.00 31.44 29.93 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 -1.98 -1.72 -4.60 5.31 3.00 -1.08 -4.96 116.66 110.63 2klo n ARG 62 Ca 0.01 0.43 -0.22 0.00 -0.00 0.00 0.00 57.85 58.07 2klo n ARG 62 Cb 0.14 -4.72 -0.15 0.00 0.00 0.00 0.00 32.46 27.73 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 -1.72 1.21 0.14 -0.14 -2.85 -1.26 -5.04 119.74 110.08 2klo s LYS 63 Ca 0.00 -0.46 0.26 0.00 -1.00 0.00 0.00 55.97 54.77 2klo s LYS 63 Cb 0.00 -1.12 0.83 0.00 -2.06 0.00 0.00 37.83 35.48 2klo s LYS 63 CO 0.00 0.23 1.74 -0.35 0.10 0.00 0.00 175.35 177.07 2klo n PRO 64 N 2.98 0.20 -5.03 1.78 -0.04 -1.26 -4.79 135.00 128.84 2klo n PRO 64 Ca -0.16 0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.17 2klo n PRO 64 Cb 0.55 -1.71 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 -3.08 1.81 0.03 0.55 0.00 -1.26 -2.48 121.76 117.32 2klo s ALA 65 Ca 0.11 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2klo s ALA 65 Cb 0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2klo s ALA 65 CO 0.60 0.44 -0.13 -0.51 0.00 0.00 0.00 175.76 176.16 2klo s LEU 66 N -0.59 2.15 0.58 0.00 2.01 -0.06 -4.99 118.68 117.79 2klo s LEU 66 Ca 0.08 -0.41 -0.16 0.00 0.01 0.00 0.00 54.13 53.66 2klo s LEU 66 Cb -0.08 -0.56 -0.04 0.00 0.01 0.00 0.00 46.19 45.52 2klo s LEU 66 CO -0.01 0.04 1.05 -0.89 1.01 0.00 0.00 176.35 177.55 2klo s THR 67 N -0.77 3.92 0.29 5.49 2.01 -1.26 -1.01 115.64 124.32 2klo s THR 67 Ca 0.01 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.92 2klo s THR 67 Cb -0.07 -3.43 0.28 0.00 0.01 0.00 0.00 72.50 69.29 2klo s THR 67 CO 0.01 -0.54 1.89 -0.03 -0.69 0.00 0.00 174.62 175.25 2klo h MET 68 N 0.47 1.01 0.53 4.92 4.05 -1.35 -2.01 114.93 122.54 2klo h MET 68 Ca -0.47 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 2klo h MET 68 Cb 1.21 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.77 2klo h MET 68 CO 0.58 0.67 -0.42 1.49 0.23 0.00 0.00 176.91 179.46 2klo h GLU 69 N 1.04 -0.90 0.28 0.39 4.81 -1.92 -0.10 114.58 118.17 2klo h GLU 69 Ca 0.42 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.72 2klo h GLU 69 Cb 0.27 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2klo h GLU 69 CO -0.18 -0.60 -0.40 0.28 -0.73 0.00 0.00 179.01 177.39 2klo h VAL 70 N -0.93 0.19 0.00 0.32 2.07 -1.83 -0.16 116.25 115.91 2klo h VAL 70 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2klo h VAL 70 Cb 0.79 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2klo h VAL 70 CO -0.00 0.00 -0.15 1.62 0.02 0.00 0.00 177.57 179.06 2klo h VAL 71 N -0.74 0.81 0.20 2.57 3.04 -1.37 -1.47 116.25 119.29 2klo h VAL 71 Ca -0.01 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 2klo h VAL 71 Cb 0.70 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2klo h VAL 71 CO -0.14 0.14 -0.10 0.00 -1.01 0.00 0.00 177.57 176.47 2klo h ALA 73 N -0.24 0.84 -0.63 0.00 0.00 -0.91 0.26 119.26 118.57 2klo h ALA 73 Ca -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2klo h ALA 73 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2klo h ALA 73 CO 0.05 0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.45 2klo h ARG 74 N 0.63 0.99 -0.03 0.00 2.47 -1.24 -0.56 114.38 116.64 2klo h ARG 74 Ca 0.28 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2klo h ARG 74 Cb 0.19 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2klo h ARG 74 CO -0.19 0.88 -0.10 0.52 0.56 0.00 0.00 179.97 181.65 2klo h MET 75 N 0.95 0.11 -0.31 0.04 2.86 -0.15 -2.97 114.93 115.45 2klo h MET 75 Ca 0.20 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2klo h MET 75 Cb 0.34 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2klo h MET 75 CO 0.00 0.73 0.04 -0.24 1.06 0.00 0.00 176.91 178.49 2klo h VAL 76 N -0.48 1.17 0.00 -2.22 3.04 -0.94 -1.07 116.25 115.75 2klo h VAL 76 Ca -0.00 -0.64 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 2klo h VAL 76 Cb 0.74 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 2klo h VAL 76 CO 0.02 0.22 -0.03 0.44 -1.01 0.00 0.00 177.57 177.21 2klo h ASP 77 N 0.46 0.00 0.74 3.17 3.32 -1.05 0.32 116.42 123.37 2klo h ASP 77 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2klo h ASP 77 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2klo h ASP 77 CO 0.00 0.03 0.00 -1.20 -1.72 0.00 0.00 179.24 176.35 2klo n SER 78 N -3.36 0.25 0.00 6.45 7.64 -0.40 -3.48 113.62 120.73 2klo n SER 78 Ca -0.02 0.55 0.08 0.00 1.01 0.00 0.00 58.87 60.49 2klo n SER 78 Cb 0.15 -0.61 0.45 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.01 0.24 -0.00 0.00 1.13 -1.23 -1.80 117.38 114.71 2klo n GLN 80 Ca 0.11 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.22 2klo n GLN 80 Cb 0.05 -1.04 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2klo n THR 81 N -0.20 0.00 -1.93 5.09 5.66 -1.25 -5.07 114.28 116.58 2klo n THR 81 Ca 0.00 -0.24 -0.01 0.00 -3.05 0.00 0.00 64.05 60.74 2klo n THR 81 Cb 0.02 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 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 -1.30 -3.09 -2.17 1.79 0.00 -0.74 -5.13 120.51 109.86 2klo n ALA 82 Ca 0.02 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 2klo n ALA 82 Cb 0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.05 1.67 0.59 0.00 0.05 -1.26 -5.16 118.68 113.51 2klo s LEU 83 Ca 0.04 -1.22 -0.16 0.00 0.05 0.00 0.00 54.13 52.84 2klo s LEU 83 Cb -0.01 0.33 -0.04 0.00 -2.05 0.00 0.00 46.19 44.42 2klo s LEU 83 CO 0.26 -0.75 1.06 -0.94 -0.55 0.00 0.00 176.35 175.43 2klo s SER 84 N -3.06 5.79 0.52 1.48 1.04 -1.26 -4.94 113.70 113.27 2klo s SER 84 Ca 0.26 1.82 0.16 0.00 0.48 0.00 0.00 55.95 58.67 2klo s SER 84 Cb 0.07 -2.53 1.27 0.00 0.10 0.00 0.00 66.02 64.93 2klo s SER 84 CO 0.03 -1.16 2.15 1.55 0.98 0.00 0.00 173.24 176.79 2klo h PRO 85 N 0.46 0.00 0.00 4.02 0.13 -2.01 -1.64 132.00 132.95 2klo h PRO 85 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2klo h PRO 85 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2klo h PRO 85 CO 0.57 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.13 2klo h GLY 86 N 0.01 0.00 1.16 1.56 0.00 -2.00 -3.13 103.07 100.67 2klo h GLY 86 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2klo h GLY 86 CO 0.00 0.00 -0.05 0.83 0.00 0.00 0.00 176.54 177.33 2klo h GLU 87 N 0.00 1.00 -0.48 4.80 5.08 -1.66 -1.15 114.58 122.17 2klo h GLU 87 Ca 0.00 -0.33 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2klo h GLU 87 Cb 0.79 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2klo h GLU 87 CO 0.00 1.01 0.12 1.98 -1.00 0.00 0.00 179.01 181.11 2klo h MET 88 N 0.90 0.25 -0.40 2.33 4.05 -1.64 -0.44 114.93 119.98 2klo h MET 88 Ca 0.15 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2klo h MET 88 Cb 0.59 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2klo h MET 88 CO 0.04 0.17 0.18 0.93 0.23 0.00 0.00 176.91 178.45 2klo h GLU 89 N 0.26 0.59 -0.50 0.39 5.08 -1.59 -2.04 114.58 116.77 2klo h GLU 89 Ca 0.24 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2klo h GLU 89 Cb 0.29 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2klo h GLU 89 CO -0.29 0.54 0.33 0.87 -1.00 0.00 0.00 179.01 179.46 2klo h LYS 90 N 0.51 0.65 0.03 2.33 1.79 -0.22 0.97 116.57 122.63 2klo h LYS 90 Ca 0.14 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.35 2klo h LYS 90 Cb 0.15 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2klo h LYS 90 CO -0.01 0.43 -0.98 0.45 -1.08 0.00 0.00 179.45 178.26 2klo h HIS 91 N 0.67 0.33 -0.18 -1.35 3.86 -0.76 -2.13 115.15 115.59 2klo h HIS 91 Ca 0.18 -0.20 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 2klo h HIS 91 Cb -0.07 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2klo h HIS 91 CO -0.00 1.06 -0.31 -0.07 0.86 0.00 0.00 177.93 179.47 2klo h LEU 92 N 0.10 0.58 -0.37 2.43 3.38 -0.68 -2.64 115.31 118.11 2klo h LEU 92 Ca -0.06 -0.54 -0.11 0.00 0.09 0.00 0.00 57.88 57.26 2klo h LEU 92 Cb 1.65 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2klo h LEU 92 CO 0.15 1.01 -0.20 1.62 0.09 0.00 0.00 178.44 181.11 2klo h VAL 93 N 0.17 1.28 -0.81 1.22 3.04 -0.89 -1.94 116.25 118.34 2klo h VAL 93 Ca 0.01 -1.33 0.05 0.00 -1.01 0.00 0.00 66.70 64.42 2klo h VAL 93 Cb 0.90 1.34 -0.06 0.00 -2.01 0.00 0.00 31.29 31.47 2klo h VAL 93 CO 0.07 0.44 0.50 0.17 -1.01 0.00 0.00 177.57 177.74 2klo h LEU 94 N 0.59 0.80 0.30 3.16 8.10 -1.41 0.65 115.31 127.50 2klo h LEU 94 Ca 0.08 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 2klo h LEU 94 Cb 0.75 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 2klo h LEU 94 CO 0.06 0.53 -0.14 -0.07 -4.11 0.00 0.00 178.44 174.70 2klo h LEU 95 N 0.94 -0.34 -1.96 0.17 3.38 -1.26 0.16 115.31 116.39 2klo h LEU 95 Ca 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2klo h LEU 95 Cb 0.11 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2klo h LEU 95 CO -0.15 -0.13 -0.07 0.00 0.09 0.00 0.00 178.44 178.18 2klo h ALA 96 N 0.12 1.75 0.21 1.53 0.00 -0.94 0.14 119.26 122.07 2klo h ALA 96 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2klo h ALA 96 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2klo h ALA 96 CO 0.07 0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.80 2klo h GLU 97 N 0.00 -0.27 0.00 0.00 4.57 -0.64 -3.23 114.58 115.00 2klo h GLU 97 Ca -0.00 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 2klo h GLU 97 Cb 0.13 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2klo h GLU 97 CO 0.01 -0.18 -0.48 -0.07 -1.18 0.00 0.00 179.01 177.11 2klo h LEU 98 N -0.98 0.00 -6.10 1.64 4.07 -0.97 -3.37 115.31 109.60 2klo h LEU 98 Ca -0.03 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.34 2klo h LEU 98 Cb 0.21 0.00 -0.42 0.00 1.08 0.00 0.00 40.66 41.54 2klo h LEU 98 CO 0.05 0.48 -0.64 0.18 -1.08 0.00 0.00 178.44 177.42 2klo n LEU 99 N -3.57 3.51 0.16 1.67 4.77 0.50 -4.92 117.00 119.12 2klo n LEU 99 Ca -0.00 -5.40 0.02 0.00 -0.03 0.00 0.00 56.01 50.60 2klo n LEU 99 Cb 0.58 -0.54 0.35 0.00 -2.33 0.00 0.00 43.42 41.48 2klo n LEU 99 CO 0.39 2.09 0.75 1.55 -1.33 0.00 0.00 177.39 180.84 2klo h PRO 100 N 4.06 0.08 0.00 3.23 0.13 -1.73 -1.88 132.00 135.88 2klo h PRO 100 Ca 0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2klo h PRO 100 Cb 0.67 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2klo h PRO 100 CO 0.80 0.39 0.00 -0.25 -0.23 0.00 0.00 178.00 178.72 2klo n ASP 101 N -4.13 0.00 -0.13 1.44 8.00 -1.26 -3.74 116.55 116.73 2klo n ASP 101 Ca -0.02 -0.29 -0.24 0.00 0.71 0.00 0.00 54.79 54.95 2klo n ASP 101 Cb 0.38 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2klo n TRP 102 N -1.21 0.00 -4.27 1.24 -0.00 -0.73 -4.60 117.44 107.86 2klo n TRP 102 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.31 2klo n TRP 102 Cb 0.18 -0.96 -0.12 0.00 -0.00 0.00 0.00 31.31 30.40 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 -7.04 3.21 -0.06 5.87 1.43 -1.08 -2.36 118.68 118.65 2klo s LEU 103 Ca -0.36 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2klo s LEU 103 Cb 0.12 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2klo s LEU 103 CO 0.52 0.12 -0.05 -0.44 0.23 0.00 0.00 176.35 176.73 2klo s SER 104 N 0.65 1.38 0.33 2.29 0.01 -0.55 -4.72 113.70 113.08 2klo s SER 104 Ca -0.02 -0.17 -0.17 0.00 1.31 0.00 0.00 55.95 56.90 2klo s SER 104 Cb -0.14 -0.56 -0.09 0.00 0.21 0.00 0.00 66.02 65.43 2klo s SER 104 CO 0.02 -0.08 0.78 -0.76 0.41 0.00 0.00 173.24 173.61 2klo s LEU 105 N 1.21 4.09 -0.27 2.44 1.43 -1.26 -0.03 118.68 126.29 2klo s LEU 105 Ca -0.06 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2klo s LEU 105 Cb -0.14 -4.08 0.11 0.00 0.03 0.00 0.00 46.19 42.11 2klo s LEU 105 CO -0.02 -0.19 0.21 -1.00 0.23 0.00 0.00 176.35 175.58 2klo s HIS 106 N -1.93 -0.09 -0.24 0.29 3.76 0.46 -4.92 115.29 112.62 2klo s HIS 106 Ca 0.54 -0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 54.79 2klo s HIS 106 Cb -0.11 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 2klo s HIS 106 CO 0.17 -0.82 0.82 0.50 -0.85 0.00 0.00 174.74 174.56 2klo s ARG 107 N 2.24 4.17 0.10 1.40 6.06 -1.26 -0.84 118.95 130.83 2klo s ARG 107 Ca 0.08 0.91 0.06 0.00 -2.50 0.00 0.00 55.73 54.29 2klo s ARG 107 Cb -0.15 -3.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.17 2klo s ARG 107 CO -0.30 -0.52 -0.04 0.42 -2.50 0.00 0.00 175.30 172.36 2klo s ILE 108 N 2.83 3.75 -1.87 4.11 -1.09 -0.01 -4.99 121.20 123.92 2klo s ILE 108 Ca 0.34 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 2klo s ILE 108 Cb -0.15 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 2klo s ILE 108 CO 0.07 0.09 0.49 -2.11 -1.23 0.00 0.00 174.94 172.26 2klo n ARG 109 N 0.54 0.00 0.00 2.79 -4.01 -1.26 -1.45 116.66 113.27 2klo n ARG 109 Ca -0.12 0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.71 2klo n ARG 109 Cb 0.52 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.44 2klo n ARG 109 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2klo n THR 110 N -0.99 0.00 -3.63 8.89 5.66 -1.26 -5.13 114.28 117.81 2klo n THR 110 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2klo n THR 110 Cb 0.00 -0.89 -0.01 0.00 -1.55 0.00 0.00 70.33 67.89 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 -2.80 -0.07 0.09 1.09 2.15 -0.53 -5.17 116.67 111.43 2klo s ASP 111 Ca 0.00 -0.16 -0.07 0.00 0.43 0.00 0.00 52.55 52.75 2klo s ASP 111 Cb 0.00 0.19 -0.05 0.00 -0.30 0.00 0.00 42.92 42.76 2klo s ASP 111 CO 0.00 -0.36 0.35 -0.89 -0.17 0.00 0.00 175.17 174.11 2klo s THR 112 N -2.51 5.18 0.16 1.71 2.01 -1.26 -0.83 115.64 120.09 2klo s THR 112 Ca 0.14 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 2klo s THR 112 Cb 0.04 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2klo s THR 112 CO -0.03 0.19 0.17 -0.31 -0.69 0.00 0.00 174.62 173.95 2klo s TYR 113 N -1.49 0.71 0.09 4.92 1.51 -0.02 -0.88 117.35 122.20 2klo s TYR 113 Ca 0.35 -1.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 2klo s TYR 113 Cb -0.13 -0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 2klo s TYR 113 CO 0.21 -0.64 -0.09 0.08 -1.11 0.00 0.00 175.55 174.00 2klo s VAL 114 N -4.04 0.85 0.15 0.71 1.01 -0.18 -0.40 120.40 118.50 2klo s VAL 114 Ca 0.24 -1.63 0.08 0.00 0.00 0.00 0.00 61.98 60.66 2klo s VAL 114 Cb 0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2klo s VAL 114 CO 0.03 -0.60 -0.17 -0.54 0.00 0.00 0.00 175.10 173.82 2klo s LYS 115 N -2.85 1.20 -0.03 2.72 1.02 0.96 -0.88 119.74 121.87 2klo s LYS 115 Ca 0.05 -1.34 -0.10 0.00 0.02 0.00 0.00 55.97 54.60 2klo s LYS 115 Cb -0.02 -1.23 0.01 0.00 -0.52 0.00 0.00 37.83 36.08 2klo s LYS 115 CO -0.01 0.25 0.21 -1.17 -0.92 0.00 0.00 175.35 173.71 2klo s LEU 116 N -2.54 1.23 -0.77 3.17 2.96 -1.04 -1.49 118.68 120.20 2klo s LEU 116 Ca 0.13 0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 2klo s LEU 116 Cb -0.06 0.87 0.13 0.00 0.50 0.00 0.00 46.19 47.63 2klo s LEU 116 CO 0.05 -0.30 0.90 -1.81 -1.32 0.00 0.00 176.35 173.88 2klo s ASP 117 N -0.90 6.45 0.20 3.68 1.11 -0.99 -4.85 116.67 121.37 2klo s ASP 117 Ca -0.10 -1.84 0.25 0.00 0.18 0.00 0.00 52.55 51.05 2klo s ASP 117 Cb -0.05 -2.33 0.88 0.00 1.07 0.00 0.00 42.92 42.49 2klo s ASP 117 CO 0.02 -1.04 1.76 0.29 1.18 0.00 0.00 175.17 177.39 2klo n LYS 118 N 6.15 0.22 0.00 8.23 5.02 -1.26 -3.38 118.16 133.13 2klo n LYS 118 Ca 0.08 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.76 2klo n LYS 118 Cb 0.46 -1.79 0.55 0.00 -0.02 0.00 0.00 35.03 34.23 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2klo n ALA 119 N -1.75 2.73 -1.34 7.82 0.00 -1.26 -4.94 120.51 121.76 2klo n ALA 119 Ca 0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 2klo n ALA 119 Cb 0.36 -1.22 0.10 0.00 0.00 0.00 0.00 19.45 18.69 2klo n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2klo s VAL 120 N -2.18 3.18 -0.57 0.00 0.11 -1.22 -4.97 120.40 114.74 2klo s VAL 120 Ca 0.35 0.38 -0.25 0.00 -2.93 0.00 0.00 61.98 59.53 2klo s VAL 120 Cb 0.21 -2.95 0.04 0.00 -1.53 0.00 0.00 36.38 32.14 2klo s VAL 120 CO 0.40 -0.50 1.01 -0.62 -3.33 0.00 0.00 175.10 172.06 2klo s ASP 121 N -3.55 6.34 0.52 3.54 -1.08 -1.26 -4.89 116.67 116.29 2klo s ASP 121 Ca 0.61 -0.30 0.20 0.00 -0.52 0.00 0.00 52.55 52.54 2klo s ASP 121 Cb -0.16 -2.46 1.37 0.00 -1.46 0.00 0.00 42.92 40.20 2klo s ASP 121 CO 0.56 -1.31 2.13 0.25 0.52 0.00 0.00 175.17 177.31 2klo h LEU 122 N 11.27 0.00 -0.96 -1.34 7.12 -1.94 -1.76 115.31 127.70 2klo h LEU 122 Ca -0.26 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.68 2klo h LEU 122 Cb 1.07 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.18 2klo h LEU 122 CO 1.12 0.06 0.02 0.00 -0.13 0.00 0.00 178.44 179.51 2klo h ALA 123 N 1.94 1.14 -0.16 1.25 0.00 -1.99 0.20 119.26 121.63 2klo h ALA 123 Ca -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2klo h ALA 123 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2klo h ALA 123 CO 0.01 0.56 -0.14 0.78 0.00 0.00 0.00 179.25 180.46 2klo h GLY 124 N 0.96 0.41 0.91 0.00 0.00 -1.75 -2.44 103.07 101.16 2klo h GLY 124 Ca 0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2klo h GLY 124 CO 0.02 0.37 -0.08 1.41 0.00 0.00 0.00 176.54 178.25 2klo h LEU 125 N 0.03 -0.20 -1.04 3.11 3.38 -1.17 -2.08 115.31 117.34 2klo h LEU 125 Ca 0.03 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2klo h LEU 125 Cb 0.66 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2klo h LEU 125 CO 0.04 -0.06 0.64 0.74 0.09 0.00 0.00 178.44 179.88 2klo h THR 126 N -0.33 1.08 0.33 0.22 2.02 -0.68 -0.59 112.91 114.96 2klo h THR 126 Ca -0.02 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 2klo h THR 126 Cb 0.26 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2klo h THR 126 CO 0.04 0.21 -0.16 0.00 0.37 0.00 0.00 175.52 175.98 2klo h ALA 127 N 1.47 -0.45 -0.33 6.16 0.00 -1.08 0.17 119.26 125.21 2klo h ALA 127 Ca 0.43 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2klo h ALA 127 Cb 0.19 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2klo h ALA 127 CO -0.17 -0.67 0.22 0.07 0.00 0.00 0.00 179.25 178.70 2klo h ARG 128 N -0.61 0.32 0.00 0.00 0.11 -1.11 -0.08 114.38 113.01 2klo h ARG 128 Ca -0.05 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.84 2klo h ARG 128 Cb 0.44 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.43 2klo h ARG 128 CO 0.08 0.21 -0.83 1.25 0.10 0.00 0.00 179.97 180.78 2klo h LEU 129 N 0.33 0.04 -0.17 0.08 6.46 -0.82 -3.27 115.31 117.96 2klo h LEU 129 Ca 0.13 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2klo h LEU 129 Cb 0.12 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2klo h LEU 129 CO -0.03 0.85 -0.60 0.00 -0.62 0.00 0.00 178.44 178.05 2klo n ALA 130 N -2.40 3.81 -0.04 1.25 0.00 0.57 -4.51 120.51 119.19 2klo n ALA 130 Ca -0.01 -0.45 0.17 0.00 0.00 0.00 0.00 53.44 53.15 2klo n ALA 130 Cb 0.79 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.86 2klo n ALA 130 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2klo h HIS 131 N 0.41 0.18 0.00 0.00 2.07 -1.09 -3.46 115.15 113.26 2klo h HIS 131 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2klo h HIS 131 Cb 0.52 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.45 2klo h HIS 131 CO 0.00 0.07 0.00 0.72 -3.07 0.00 0.00 177.93 175.65 2klo n HIS 132 N -4.42 0.00 -0.17 6.12 -0.00 -1.26 -4.84 115.22 110.64 2klo n HIS 132 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.79 2klo n HIS 132 Cb 0.54 -1.16 0.03 0.00 -0.00 0.00 0.00 29.99 29.40 2klo n HIS 132 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2klo h VAL 133 N 0.00 0.32 -0.20 1.59 2.07 -1.95 -2.06 116.25 116.03 2klo h VAL 133 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2klo h VAL 133 Cb 0.00 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2klo h VAL 133 CO 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.59 2klo n HIS 134 N -5.42 0.72 -2.36 1.57 -0.00 -1.26 -5.02 115.22 103.45 2klo n HIS 134 Ca 0.05 -0.93 -0.26 0.00 -0.00 0.00 0.00 57.72 56.57 2klo n HIS 134 Cb 0.32 -0.28 0.04 0.00 -0.00 0.00 0.00 29.99 30.07 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 -2.86 3.29 0.00 1.59 0.00 -0.77 -5.03 121.76 117.98 2klo s ALA 135 Ca 0.40 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2klo s ALA 135 Cb 0.33 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2klo s ALA 135 CO 0.07 -0.89 0.00 0.39 0.00 0.00 0.00 175.76 175.33 2klo n GLU 136 N -2.64 1.68 0.00 0.00 1.02 -1.26 -5.02 120.64 114.42 2klo n GLU 136 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2klo n GLU 136 Cb 0.58 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 2klo n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2klo n GLY 137 N 2.06 -0.47 0.00 0.62 0.00 -1.26 -5.22 105.19 100.92 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