#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 -0.19 0.18 0.55 0.00 -1.26 -5.19 121.76 115.84 2klo s ALA 2 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 2klo s ALA 2 Cb 0.00 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.19 2klo s ALA 2 CO 0.00 -0.81 0.47 0.00 0.00 0.00 0.00 175.76 175.42 2klo s ALA 3 N -4.01 -0.85 -0.42 0.00 0.00 -1.26 -5.13 121.76 110.09 2klo s ALA 3 Ca 0.21 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2klo s ALA 3 Cb 0.00 0.82 0.17 0.00 0.00 0.00 0.00 23.12 24.11 2klo s ALA 3 CO 0.07 -0.75 0.35 -1.54 0.00 0.00 0.00 175.76 173.88 2klo s SER 4 N -2.87 1.51 0.87 0.00 1.04 -1.26 -5.14 113.70 107.86 2klo s SER 4 Ca 0.08 -3.10 -0.12 0.00 0.48 0.00 0.00 55.95 53.30 2klo s SER 4 Cb 0.00 -0.47 0.11 0.00 0.10 0.00 0.00 66.02 65.76 2klo s SER 4 CO -0.05 -0.17 1.10 -2.16 0.98 0.00 0.00 173.24 172.94 2klo s PRO 5 N 0.01 1.48 0.27 4.02 0.04 -1.26 -5.09 135.00 134.47 2klo s PRO 5 Ca 0.33 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 2klo s PRO 5 Cb 0.04 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2klo s PRO 5 CO -0.20 -2.05 0.51 -1.54 0.04 0.00 0.00 177.00 173.76 2klo s SER 6 N -3.68 0.04 0.36 6.66 1.04 -1.26 -5.19 113.70 111.68 2klo s SER 6 Ca 0.63 -1.00 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 2klo s SER 6 Cb -0.16 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.62 2klo s SER 6 CO 0.56 -1.21 0.72 0.00 0.98 0.00 0.00 173.24 174.28 2klo s ALA 7 N -3.77 -0.50 0.09 5.32 0.00 -1.26 -5.19 121.76 116.45 2klo s ALA 7 Ca 0.23 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2klo s ALA 7 Cb -0.01 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 2klo s ALA 7 CO 0.11 -0.95 -0.15 -0.51 0.00 0.00 0.00 175.76 174.26 2klo s LEU 8 N -3.08 2.33 -0.31 0.00 1.43 -1.26 -5.06 118.68 112.72 2klo s LEU 8 Ca 0.18 -0.70 0.18 0.00 -1.03 0.00 0.00 54.13 52.77 2klo s LEU 8 Cb -0.04 -0.55 0.47 0.00 0.03 0.00 0.00 46.19 46.10 2klo s LEU 8 CO 0.12 -0.10 1.10 1.17 0.23 0.00 0.00 176.35 178.87 2klo n LYS 9 N 0.98 1.38 -2.29 1.70 3.00 -1.26 -5.04 118.16 116.62 2klo n LYS 9 Ca -0.19 -3.04 -0.34 0.00 -0.00 0.00 0.00 58.31 54.74 2klo n LYS 9 Cb 0.55 -1.12 -0.04 0.00 0.00 0.00 0.00 35.03 34.42 2klo n LYS 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2klo s GLY 10 N -3.02 0.77 0.10 3.14 0.00 -1.26 -4.86 107.32 102.18 2klo s GLY 10 Ca 0.25 -2.31 -0.12 0.00 0.00 0.00 0.00 44.72 42.54 2klo s GLY 10 CO -0.02 3.18 0.28 0.54 0.00 0.00 0.00 173.10 177.08 2klo s VAL 11 N 7.99 0.11 -1.94 1.40 0.11 -1.26 -5.05 120.40 121.76 2klo s VAL 11 Ca 0.61 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2klo s VAL 11 Cb -0.00 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2klo s VAL 11 CO 0.06 -0.49 0.08 -1.20 -3.33 0.00 0.00 175.10 170.22 2klo n SER 12 N -0.03 0.01 0.35 3.54 7.64 -1.26 -3.70 113.62 120.16 2klo n SER 12 Ca -0.16 -0.17 -0.14 0.00 1.01 0.00 0.00 58.87 59.42 2klo n SER 12 Cb 0.62 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.76 2klo n SER 12 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2klo h GLN 13 N 0.06 -0.86 0.00 1.43 4.15 -1.96 -0.87 115.11 117.05 2klo h GLN 13 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2klo h GLN 13 Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2klo h GLN 13 CO 0.00 -0.58 0.00 0.00 -1.93 0.00 0.00 178.83 176.32 2klo h ALA 14 N -1.45 1.00 0.01 3.38 0.00 -1.90 -0.01 119.26 120.29 2klo h ALA 14 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2klo h ALA 14 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2klo h ALA 14 CO 0.15 0.00 -0.08 1.25 0.00 0.00 0.00 179.25 180.57 2klo h LEU 15 N 0.00 0.05 -0.87 0.00 5.85 -1.77 -3.34 115.31 115.23 2klo h LEU 15 Ca 0.00 -0.97 -0.11 0.00 0.84 0.00 0.00 57.88 57.64 2klo h LEU 15 Cb 0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2klo h LEU 15 CO 0.00 1.01 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.61 2klo h LEU 16 N -0.91 0.29 -1.89 2.25 3.38 -0.52 -2.91 115.31 115.01 2klo h LEU 16 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2klo h LEU 16 Cb 1.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2klo h LEU 16 CO 0.02 0.69 0.00 -0.33 0.09 0.00 0.00 178.44 178.91 2klo h GLU 17 N 0.23 0.00 0.00 1.13 5.08 -1.14 -0.84 114.58 119.04 2klo h GLU 17 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2klo h GLU 17 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2klo h GLU 17 CO 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 178.01 2klo h ARG 18 N 0.00 0.00 0.67 2.33 3.08 -1.63 -2.65 114.38 116.18 2klo h ARG 18 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2klo h ARG 18 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.09 2klo h ARG 18 CO 0.00 0.07 -0.32 0.82 -1.07 0.00 0.00 179.97 179.47 2klo h ILE 19 N 0.00 0.13 -1.01 2.04 2.04 -1.36 -3.14 117.51 116.21 2klo h ILE 19 Ca -0.00 -0.31 0.29 0.00 1.00 0.00 0.00 64.86 65.85 2klo h ILE 19 Cb 0.37 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2klo h ILE 19 CO 0.01 0.02 0.75 -0.09 0.00 0.00 0.00 178.15 178.84 2klo h ARG 20 N -1.17 0.00 -0.26 2.37 1.12 -1.62 -0.12 114.38 114.70 2klo h ARG 20 Ca -0.09 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.83 2klo h ARG 20 Cb 0.72 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 2klo h ARG 20 CO 0.15 0.00 0.18 0.00 -3.11 0.00 0.00 179.97 177.19 2klo h ALA 21 N 1.44 2.09 0.00 2.80 0.00 -1.48 -1.60 119.26 122.51 2klo h ALA 21 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2klo h ALA 21 Cb 1.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2klo h ALA 21 CO -0.01 -0.14 0.00 0.87 0.00 0.00 0.00 179.25 179.97 2klo h LYS 22 N 0.13 0.00 0.06 0.00 6.56 -1.16 -1.78 116.57 120.36 2klo h LYS 22 Ca 0.12 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.34 2klo h LYS 22 Cb 0.31 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.93 2klo h LYS 22 CO -0.01 0.00 -2.08 0.39 -2.06 0.00 0.00 179.45 175.68 2klo n GLU 23 N -2.66 0.68 0.28 3.15 -0.58 -0.62 -4.26 120.64 116.63 2klo n GLU 23 Ca -0.01 0.28 0.19 0.00 -0.42 0.00 0.00 57.16 57.20 2klo n GLU 23 Cb 0.14 -1.64 1.01 0.00 -0.57 0.00 0.00 31.44 30.38 2klo n GLU 23 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2klo h VAL 24 N -0.24 0.00 -0.37 2.62 2.07 -1.22 -2.84 116.25 116.26 2klo h VAL 24 Ca -0.49 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.11 2klo h VAL 24 Cb 1.83 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2klo h VAL 24 CO -0.07 0.00 0.26 0.06 0.02 0.00 0.00 177.57 177.84 2klo h GLN 25 N 0.00 0.09 0.00 1.57 3.07 -1.52 -0.06 115.11 118.25 2klo h GLN 25 Ca 0.00 -0.01 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 2klo h GLN 25 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.51 2klo h GLN 25 CO 0.00 0.06 -1.45 1.17 0.09 0.00 0.00 178.83 178.70 2klo n LYS 26 N -4.45 0.62 -0.01 0.06 4.81 -1.07 -4.10 118.16 114.02 2klo n LYS 26 Ca 0.05 0.22 -0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2klo n LYS 26 Cb 0.38 -1.80 -0.00 0.00 0.02 0.00 0.00 35.03 33.63 2klo n LYS 26 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2klo h GLN 27 N 0.00 0.00 0.00 1.64 4.20 -1.43 -3.46 115.11 116.07 2klo h GLN 27 Ca -0.17 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.41 2klo h GLN 27 Cb 1.61 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.37 2klo h GLN 27 CO 0.05 0.00 -1.14 1.28 -0.67 0.00 0.00 178.83 178.35 2klo n LEU 28 N -2.56 1.88 -3.80 1.46 4.77 -0.13 -5.03 117.00 113.58 2klo n LEU 28 Ca -0.00 0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 56.21 2klo n LEU 28 Cb 0.01 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.26 2klo n LEU 28 CO 0.00 -0.09 -0.14 0.00 -1.33 0.00 0.00 177.39 175.83 2klo n ALA 29 N -3.92 -2.04 -3.87 -1.18 0.00 -1.19 -4.98 120.51 103.33 2klo n ALA 29 Ca -0.22 -0.21 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2klo n ALA 29 Cb 0.52 -1.83 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 2klo n ALA 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2klo s ARG 30 N -6.21 1.10 -0.09 0.00 0.52 -1.26 -4.72 118.95 108.29 2klo s ARG 30 Ca 0.02 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 2klo s ARG 30 Cb -0.01 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.94 2klo s ARG 30 CO 0.85 -0.93 0.00 -1.33 0.02 0.00 0.00 175.30 173.91 2klo n MET 31 N 4.60 -1.04 -2.28 3.54 2.81 -1.26 -4.95 117.12 118.54 2klo n MET 31 Ca -0.01 0.31 -0.37 0.00 -1.81 0.00 0.00 57.70 55.83 2klo n MET 31 Cb 0.42 -4.12 -0.03 0.00 -0.71 0.00 0.00 33.22 28.78 2klo n MET 31 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2klo s THR 32 N -1.54 3.58 -0.22 2.03 2.01 -1.26 -4.93 115.64 115.30 2klo s THR 32 Ca 0.00 -0.04 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 2klo s THR 32 Cb 0.00 -4.43 0.07 0.00 0.01 0.00 0.00 72.50 68.15 2klo s THR 32 CO 0.00 -1.37 0.55 0.00 -0.69 0.00 0.00 174.62 173.11 2klo s ARG 33 N 6.30 0.57 0.08 4.92 1.70 -1.26 -4.98 118.95 126.28 2klo s ARG 33 Ca 0.55 0.97 0.00 0.00 -0.47 0.00 0.00 55.73 56.78 2klo s ARG 33 Cb -0.08 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2klo s ARG 33 CO 0.09 -0.14 0.00 0.00 -1.08 0.00 0.00 175.30 174.17 2klo h PRO 35 N 0.00 0.00 0.00 0.00 0.13 -2.00 -2.51 132.00 127.61 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 0.09 0.39 -0.23 0.00 0.00 178.00 178.25 2klo n GLU 36 N -3.09 0.10 0.19 0.86 4.71 -1.26 -2.23 120.64 119.91 2klo n GLU 36 Ca -0.03 0.58 0.16 0.00 -0.01 0.00 0.00 57.16 57.86 2klo n GLU 36 Cb 0.08 -1.92 0.78 0.00 -1.01 0.00 0.00 31.44 29.37 2klo n GLU 36 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 2klo h GLN 37 N 0.00 0.00 -0.26 3.49 3.07 -1.86 -1.90 115.11 117.66 2klo h GLN 37 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.81 2klo h GLN 37 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2klo h GLN 37 CO 0.00 0.00 0.21 1.05 0.09 0.00 0.00 178.83 180.18 2klo h GLU 38 N 0.00 0.00 -0.57 0.06 4.11 -1.74 0.23 114.58 116.67 2klo h GLU 38 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 2klo h GLU 38 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2klo h GLU 38 CO -0.00 0.00 -0.02 1.25 0.07 0.00 0.00 179.01 180.31 2klo h LEU 39 N 0.00 0.98 -0.40 3.06 7.12 -1.61 0.15 115.31 124.60 2klo h LEU 39 Ca 0.12 -0.28 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 2klo h LEU 39 Cb 0.54 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.39 2klo h LEU 39 CO -0.00 1.04 0.15 0.03 -0.13 0.00 0.00 178.44 179.53 2klo h ARG 40 N 0.91 0.61 -0.50 1.25 2.47 -1.12 0.33 114.38 118.33 2klo h ARG 40 Ca 0.16 -0.12 -0.12 0.00 -1.26 0.00 0.00 59.98 58.64 2klo h ARG 40 Cb 0.56 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2klo h ARG 40 CO 0.03 0.59 -0.17 -0.07 0.56 0.00 0.00 179.97 180.91 2klo h LEU 41 N 0.51 1.01 -1.72 3.04 3.38 -1.23 -1.87 115.31 118.43 2klo h LEU 41 Ca 0.13 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2klo h LEU 41 Cb 0.21 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2klo h LEU 41 CO -0.01 1.16 -0.15 -0.61 0.09 0.00 0.00 178.44 178.92 2klo h GLN 42 N 0.87 0.00 0.06 1.13 5.75 -0.41 -2.49 115.11 120.02 2klo h GLN 42 Ca 0.12 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.51 2klo h GLN 42 Cb 0.74 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.30 2klo h GLN 42 CO 0.06 0.15 -0.54 0.00 -2.65 0.00 0.00 178.83 175.85 2klo h ARG 43 N 0.00 0.13 0.00 1.69 2.47 -0.56 -3.34 114.38 114.77 2klo h ARG 43 Ca -0.00 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.44 2klo h ARG 43 Cb 0.44 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2klo h ARG 43 CO 0.02 1.11 -0.25 1.37 0.56 0.00 0.00 179.97 182.77 2klo h LEU 44 N -0.71 0.00 -0.00 3.04 8.10 -1.23 -2.56 115.31 121.96 2klo h LEU 44 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 2klo h LEU 44 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.55 2klo h LEU 44 CO 0.04 0.25 0.00 -0.62 -4.11 0.00 0.00 178.44 174.00 2klo n GLU 45 N -4.23 1.00 0.00 0.17 -0.58 -0.95 -3.47 120.64 112.58 2klo n GLU 45 Ca -0.02 -0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.82 2klo n GLU 45 Cb 0.31 -1.48 0.62 0.00 -0.57 0.00 0.00 31.44 30.32 2klo n GLU 45 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2klo n ARG 46 N -0.98 0.56 -0.40 3.49 1.74 -0.96 -4.13 116.66 115.99 2klo n ARG 46 Ca 0.23 0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.24 2klo n ARG 46 Cb 0.11 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.10 -1.00 -0.17 0.55 4.77 -1.23 -0.83 117.00 117.99 2klo n LEU 47 Ca 0.15 1.71 -0.04 0.00 -0.03 0.00 0.00 56.01 57.79 2klo n LEU 47 Cb 0.11 -0.23 0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2klo n LEU 47 CO 0.14 -1.38 0.97 1.55 -1.33 0.00 0.00 177.39 177.33 2klo h PRO 48 N 0.00 0.93 -0.07 3.23 0.13 -1.92 -2.69 132.00 131.61 2klo h PRO 48 Ca 0.15 -0.20 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2klo h PRO 48 Cb 0.39 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2klo h PRO 48 CO -0.89 0.83 -0.08 1.49 -0.23 0.00 0.00 178.00 179.12 2klo h GLU 49 N 0.89 -0.11 -0.32 0.86 4.57 -1.24 -0.39 114.58 118.85 2klo h GLU 49 Ca 0.19 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 2klo h GLU 49 Cb 0.32 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2klo h GLU 49 CO -0.00 -0.07 0.19 -0.07 -1.18 0.00 0.00 179.01 177.88 2klo h LEU 50 N -0.11 0.30 -0.12 1.64 -0.00 -0.90 0.18 115.31 116.29 2klo h LEU 50 Ca 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.96 2klo h LEU 50 Cb 0.19 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 2klo h LEU 50 CO -0.14 0.22 0.01 0.00 -0.00 0.00 0.00 178.44 178.54 2klo h ALA 51 N 1.14 0.11 -0.11 1.53 0.00 -1.13 0.70 119.26 121.51 2klo h ALA 51 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2klo h ALA 51 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2klo h ALA 51 CO -0.06 -0.44 0.02 0.00 0.00 0.00 0.00 179.25 178.77 2klo h ARG 52 N 0.06 0.18 -0.57 0.00 3.08 -0.88 -2.67 114.38 113.58 2klo h ARG 52 Ca 0.05 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2klo h ARG 52 Cb 0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2klo h ARG 52 CO -0.08 0.36 0.33 0.28 -1.07 0.00 0.00 179.97 179.79 2klo h VAL 53 N -0.03 1.04 -0.26 2.04 2.07 -0.84 -1.61 116.25 118.66 2klo h VAL 53 Ca 0.03 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2klo h VAL 53 Cb 0.26 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 2klo h VAL 53 CO 0.00 0.12 -0.24 0.25 0.02 0.00 0.00 177.57 177.72 2klo h LEU 54 N 0.65 -0.78 -0.31 2.57 6.46 -0.72 0.16 115.31 123.33 2klo h LEU 54 Ca 0.23 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 58.20 2klo h LEU 54 Cb 0.05 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 2klo h LEU 54 CO -0.11 -0.28 -0.03 -0.09 -0.62 0.00 0.00 178.44 177.30 2klo h ARG 55 N -0.24 0.05 -0.15 1.25 2.43 -1.13 -1.02 114.38 115.58 2klo h ARG 55 Ca 0.14 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2klo h ARG 55 Cb 0.46 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2klo h ARG 55 CO -0.40 0.03 0.02 -0.91 -1.51 0.00 0.00 179.97 177.20 2klo h ASN 56 N 0.05 -0.02 -0.51 -3.80 2.35 -0.25 0.43 115.58 113.83 2klo h ASN 56 Ca 0.15 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 2klo h ASN 56 Cb 0.22 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 2klo h ASN 56 CO -0.28 0.01 0.19 0.58 -1.65 0.00 0.00 177.43 176.28 2klo h VAL 57 N 0.07 0.83 -0.26 2.81 2.07 -0.29 -0.44 116.25 121.05 2klo h VAL 57 Ca 0.07 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 2klo h VAL 57 Cb 0.07 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2klo h VAL 57 CO -0.10 0.07 -0.37 -0.26 0.02 0.00 0.00 177.57 176.93 2klo h PHE 58 N 0.37 0.87 0.09 1.57 -1.00 -0.89 -2.82 116.94 115.13 2klo h PHE 58 Ca 0.25 -0.29 0.02 0.00 2.81 0.00 0.00 57.97 60.76 2klo h PHE 58 Cb 0.26 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 2klo h PHE 58 CO -0.16 1.06 -0.27 0.28 -1.61 0.00 0.00 178.31 177.61 2klo h VAL 59 N 0.43 0.41 0.00 -0.55 2.07 -0.30 -2.55 116.25 115.76 2klo h VAL 59 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2klo h VAL 59 Cb 0.96 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2klo h VAL 59 CO 0.09 0.00 0.00 0.28 0.02 0.00 0.00 177.57 177.96 2klo h SER 60 N -0.46 0.00 0.39 0.57 0.02 -1.16 -2.70 113.55 110.22 2klo h SER 60 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2klo h SER 60 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2klo h SER 60 CO -0.18 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 176.72 2klo n GLU 61 N -3.07 0.26 -0.91 3.45 4.07 -0.96 -4.87 120.64 118.62 2klo n GLU 61 Ca -0.00 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2klo n GLU 61 Cb 0.26 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 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 -1.30 -0.98 -3.78 5.31 0.63 -1.02 -4.96 116.66 110.56 2klo n ARG 62 Ca 0.09 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 57.13 2klo n ARG 62 Cb 0.16 -4.20 -0.15 0.00 0.45 0.00 0.00 32.46 28.73 2klo n ARG 62 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2klo s LYS 63 N -1.16 0.05 0.00 -0.14 -2.85 -1.25 -5.03 119.74 109.36 2klo s LYS 63 Ca 0.00 0.25 0.25 0.00 -1.00 0.00 0.00 55.97 55.47 2klo s LYS 63 Cb 0.00 -0.15 1.36 0.00 -2.06 0.00 0.00 37.83 36.99 2klo s LYS 63 CO 0.00 -0.13 1.90 -0.35 0.10 0.00 0.00 175.35 176.87 2klo n PRO 64 N 3.91 1.18 -4.05 1.78 -0.04 -1.26 -4.72 135.00 131.79 2klo n PRO 64 Ca -0.23 -0.26 -0.16 0.00 -0.04 0.00 0.00 63.50 62.80 2klo n PRO 64 Cb 0.53 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 2klo n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klo s ALA 65 N -1.97 0.35 0.04 0.55 0.00 -1.26 -1.08 121.76 118.39 2klo s ALA 65 Ca 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2klo s ALA 65 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2klo s ALA 65 CO 0.30 0.03 -0.06 -0.51 0.00 0.00 0.00 175.76 175.51 2klo s LEU 66 N 0.31 2.29 0.67 0.00 2.01 -0.71 -4.97 118.68 118.28 2klo s LEU 66 Ca -0.03 -0.60 -0.16 0.00 0.01 0.00 0.00 54.13 53.35 2klo s LEU 66 Cb -0.06 -0.07 0.01 0.00 0.01 0.00 0.00 46.19 46.08 2klo s LEU 66 CO -0.01 -0.27 1.18 -0.89 1.01 0.00 0.00 176.35 177.37 2klo s THR 67 N -1.73 2.65 0.17 5.49 2.01 -1.26 -0.69 115.64 122.27 2klo s THR 67 Ca -0.09 0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 2klo s THR 67 Cb -0.08 -2.93 0.10 0.00 0.01 0.00 0.00 72.50 69.60 2klo s THR 67 CO -0.01 -0.15 1.66 -0.03 -0.69 0.00 0.00 174.62 175.40 2klo h MET 68 N 0.10 -0.01 -0.26 4.92 4.05 -1.19 -0.89 114.93 121.64 2klo h MET 68 Ca -0.48 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 58.77 2klo h MET 68 Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2klo h MET 68 CO 0.52 -0.01 -0.52 1.49 0.23 0.00 0.00 176.91 178.62 2klo h GLU 69 N -0.01 0.74 0.16 0.39 4.81 -1.92 -2.28 114.58 116.46 2klo h GLU 69 Ca 0.20 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2klo h GLU 69 Cb 0.32 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2klo h GLU 69 CO -0.43 1.08 -0.09 0.28 -0.73 0.00 0.00 179.01 179.11 2klo h VAL 70 N 0.57 0.82 -0.21 0.32 2.07 -1.68 0.11 116.25 118.26 2klo h VAL 70 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 2klo h VAL 70 Cb 1.10 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2klo h VAL 70 CO 0.11 0.00 -0.19 1.62 0.02 0.00 0.00 177.57 179.13 2klo h VAL 71 N -0.23 1.23 0.58 2.57 3.04 -1.24 -1.02 116.25 121.19 2klo h VAL 71 Ca -0.02 -1.05 -0.03 0.00 -1.01 0.00 0.00 66.70 64.59 2klo h VAL 71 Cb 0.19 1.28 0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2klo h VAL 71 CO 0.02 0.33 -0.28 0.00 -1.01 0.00 0.00 177.57 176.63 2klo h ALA 73 N -0.67 0.85 -0.50 0.00 0.00 -0.70 0.90 119.26 119.13 2klo h ALA 73 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2klo h ALA 73 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2klo h ALA 73 CO 0.13 -0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.56 2klo h ARG 74 N 0.48 0.66 0.00 0.00 2.47 -1.07 -2.17 114.38 114.74 2klo h ARG 74 Ca 0.32 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.90 2klo h ARG 74 Cb 0.38 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2klo h ARG 74 CO -0.29 0.45 -0.56 1.98 0.56 0.00 0.00 179.97 182.11 2klo h MET 75 N 0.68 0.00 -0.85 0.04 4.05 0.13 -3.38 114.93 115.60 2klo h MET 75 Ca 0.18 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.73 2klo h MET 75 Cb -0.07 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.67 2klo h MET 75 CO -0.04 0.90 0.55 -0.24 0.23 0.00 0.00 176.91 178.31 2klo h VAL 76 N -1.00 0.87 -0.17 -5.77 3.04 -0.87 -1.55 116.25 110.80 2klo h VAL 76 Ca -0.15 -0.24 0.05 0.00 -1.01 0.00 0.00 66.70 65.35 2klo h VAL 76 Cb 1.05 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 2klo h VAL 76 CO -0.09 0.13 0.25 -0.78 -1.01 0.00 0.00 177.57 176.07 2klo h ASP 77 N 0.69 0.00 0.38 3.17 3.58 -1.56 0.51 116.42 123.20 2klo h ASP 77 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2klo h ASP 77 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2klo h ASP 77 CO -0.18 0.00 0.00 -0.24 -2.88 0.00 0.00 179.24 175.94 2klo n SER 78 N -3.54 0.00 0.00 2.28 2.88 -0.58 -3.39 113.62 111.27 2klo n SER 78 Ca 0.02 0.45 0.06 0.00 -1.33 0.00 0.00 58.87 58.06 2klo n SER 78 Cb 0.37 -0.47 0.29 0.00 -0.75 0.00 0.00 64.21 63.65 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 -1.30 1.40 0.00 0.00 10.64 -1.22 -4.14 117.38 122.76 2klo n GLN 80 Ca 0.05 -0.79 0.00 0.00 -1.83 0.00 0.00 57.00 54.43 2klo n GLN 80 Cb 0.10 -1.94 0.00 0.00 -0.86 0.00 0.00 30.24 27.53 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 3.04 0.00 -2.70 -0.39 5.66 -1.26 -5.08 114.28 113.54 2klo n THR 81 Ca 0.30 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.27 2klo n THR 81 Cb 0.45 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.34 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 2.61 -2.16 1.79 0.00 -1.26 -5.13 120.51 113.36 2klo n ALA 82 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 53.44 51.95 2klo n ALA 82 Cb 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 2klo n ALA 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2klo s LEU 83 N -3.89 1.82 0.61 0.00 0.05 -1.26 -5.19 118.68 110.81 2klo s LEU 83 Ca 0.15 -1.18 -0.03 0.00 0.05 0.00 0.00 54.13 53.11 2klo s LEU 83 Cb 0.42 0.32 0.04 0.00 -2.05 0.00 0.00 46.19 44.91 2klo s LEU 83 CO -0.10 -0.72 0.88 -0.94 -0.55 0.00 0.00 176.35 174.92 2klo s SER 84 N -3.03 5.21 0.51 1.48 1.04 -1.26 -4.88 113.70 112.76 2klo s SER 84 Ca 0.22 0.34 0.29 0.00 0.48 0.00 0.00 55.95 57.29 2klo s SER 84 Cb 0.07 -1.19 1.25 0.00 0.10 0.00 0.00 66.02 66.25 2klo s SER 84 CO 0.01 -1.26 1.95 1.55 0.98 0.00 0.00 173.24 176.47 2klo h PRO 85 N -0.21 0.00 -0.53 4.02 0.13 -1.96 -3.12 132.00 130.34 2klo h PRO 85 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2klo h PRO 85 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2klo h PRO 85 CO 0.58 0.12 0.23 0.78 -0.23 0.00 0.00 178.00 179.47 2klo h GLY 86 N 1.73 0.83 1.74 1.56 0.00 -1.99 -2.58 103.07 104.36 2klo h GLY 86 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2klo h GLY 86 CO 0.02 0.41 0.11 0.83 0.00 0.00 0.00 176.54 177.91 2klo h GLU 87 N 0.71 0.34 0.37 4.80 4.39 -1.95 0.69 114.58 123.93 2klo h GLU 87 Ca 0.18 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2klo h GLU 87 Cb 0.16 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2klo h GLU 87 CO -0.02 0.27 -0.18 1.98 -1.16 0.00 0.00 179.01 179.90 2klo h MET 88 N 0.34 -0.48 -0.79 2.33 4.05 -1.60 -2.42 114.93 116.36 2klo h MET 88 Ca 0.09 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2klo h MET 88 Cb 0.05 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 2klo h MET 88 CO -0.01 -0.20 0.50 1.49 0.23 0.00 0.00 176.91 178.93 2klo h GLU 89 N -0.75 0.95 -0.89 0.39 4.81 -1.06 -0.85 114.58 117.19 2klo h GLU 89 Ca -0.05 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2klo h GLU 89 Cb 0.51 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 2klo h GLU 89 CO 0.08 0.63 0.53 0.87 -0.73 0.00 0.00 179.01 180.40 2klo h LYS 90 N 0.98 0.86 -0.15 1.92 1.79 -0.86 -1.27 116.57 119.84 2klo h LYS 90 Ca 0.32 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.61 2klo h LYS 90 Cb 0.02 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 2klo h LYS 90 CO -0.11 0.57 -0.46 1.25 -1.08 0.00 0.00 179.45 179.61 2klo h HIS 91 N 0.89 0.46 0.13 -1.35 2.76 -0.65 -1.45 115.15 115.93 2klo h HIS 91 Ca 0.43 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2klo h HIS 91 Cb 0.37 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2klo h HIS 91 CO -0.04 0.78 -0.06 -0.07 -1.30 0.00 0.00 177.93 177.24 2klo h LEU 92 N 0.31 -0.15 -0.44 0.26 3.38 -0.64 -2.45 115.31 115.58 2klo h LEU 92 Ca 0.02 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2klo h LEU 92 Cb 0.94 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2klo h LEU 92 CO 0.08 -0.06 -0.01 1.62 0.09 0.00 0.00 178.44 180.16 2klo h VAL 93 N -0.22 1.26 -0.54 1.22 3.04 -1.35 -2.72 116.25 116.93 2klo h VAL 93 Ca -0.02 -1.05 0.07 0.00 -1.01 0.00 0.00 66.70 64.69 2klo h VAL 93 Cb 0.18 1.08 -0.06 0.00 -2.01 0.00 0.00 31.29 30.47 2klo h VAL 93 CO 0.03 0.36 0.22 0.17 -1.01 0.00 0.00 177.57 177.34 2klo h LEU 94 N 0.62 0.24 0.73 3.16 8.10 -1.17 0.11 115.31 127.10 2klo h LEU 94 Ca 0.12 0.06 -0.03 0.00 0.11 0.00 0.00 57.88 58.14 2klo h LEU 94 Cb 0.51 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2klo h LEU 94 CO 0.02 0.16 -0.40 -0.07 -4.11 0.00 0.00 178.44 174.04 2klo h LEU 95 N 0.41 -0.99 -1.88 0.17 3.38 -1.40 -2.68 115.31 112.33 2klo h LEU 95 Ca 0.26 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.37 2klo h LEU 95 Cb 0.27 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2klo h LEU 95 CO -0.25 -0.65 0.29 0.00 0.09 0.00 0.00 178.44 177.92 2klo h ALA 96 N -0.83 2.20 0.00 1.53 0.00 -1.14 0.40 119.26 121.42 2klo h ALA 96 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2klo h ALA 96 Cb 0.83 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2klo h ALA 96 CO 0.13 -0.30 -0.09 1.49 0.00 0.00 0.00 179.25 180.47 2klo h GLU 97 N 0.14 0.00 -0.00 0.00 4.57 -0.62 -2.96 114.58 115.71 2klo h GLU 97 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2klo h GLU 97 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2klo h GLU 97 CO -0.03 0.09 -0.01 1.47 -1.18 0.00 0.00 179.01 179.36 2klo n LEU 98 N -3.54 0.48 -2.82 1.64 -0.00 -0.78 -4.81 117.00 107.17 2klo n LEU 98 Ca -0.02 -0.73 -0.28 0.00 -0.00 0.00 0.00 56.01 54.99 2klo n LEU 98 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.62 2klo n LEU 98 CO 0.29 0.12 0.21 0.18 -0.00 0.00 0.00 177.39 178.19 2klo n LEU 99 N -0.54 4.68 0.06 1.47 4.77 0.06 -4.86 117.00 122.64 2klo n LEU 99 Ca 0.00 -5.53 0.10 0.00 -0.03 0.00 0.00 56.01 50.55 2klo n LEU 99 Cb 0.01 -0.55 0.43 0.00 -2.33 0.00 0.00 43.42 40.97 2klo n LEU 99 CO 0.00 2.31 0.82 -0.81 -1.33 0.00 0.00 177.39 178.39 2klo n PRO 100 N -0.32 0.10 0.00 3.23 -0.04 -1.23 -1.93 135.00 134.81 2klo n PRO 100 Ca 0.34 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 64.16 2klo n PRO 100 Cb 0.47 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 2klo n PRO 100 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2klo n ASP 101 N -1.85 1.55 -0.10 3.54 2.03 -1.26 -4.57 116.55 115.90 2klo n ASP 101 Ca 0.04 -1.28 -0.17 0.00 0.52 0.00 0.00 54.79 53.90 2klo n ASP 101 Cb 0.25 0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 41.19 2klo n ASP 101 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2klo n TRP 102 N -0.41 0.00 -3.57 -0.67 -0.00 -1.05 -4.87 117.44 106.88 2klo n TRP 102 Ca 0.07 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.24 2klo n TRP 102 Cb 0.36 -0.65 -0.05 0.00 -0.00 0.00 0.00 31.31 30.97 2klo n TRP 102 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 2klo s LEU 103 N -7.59 4.29 0.20 5.87 2.96 -0.81 -2.81 118.68 120.78 2klo s LEU 103 Ca -0.30 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.27 2klo s LEU 103 Cb 0.08 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 2klo s LEU 103 CO 0.41 0.08 0.34 -0.55 -1.32 0.00 0.00 176.35 175.31 2klo s SER 104 N -2.10 -0.00 -0.02 3.68 0.15 -0.20 -4.58 113.70 110.63 2klo s SER 104 Ca 0.39 -0.94 0.03 0.00 0.70 0.00 0.00 55.95 56.12 2klo s SER 104 Cb -0.13 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2klo s SER 104 CO 0.21 -0.98 -0.10 -0.76 1.20 0.00 0.00 173.24 172.81 2klo s LEU 105 N -3.01 1.93 -0.28 3.45 1.43 -1.26 -1.61 118.68 119.33 2klo s LEU 105 Ca 0.22 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2klo s LEU 105 Cb 0.02 -0.57 0.09 0.00 0.03 0.00 0.00 46.19 45.76 2klo s LEU 105 CO 0.05 0.11 0.10 -1.00 0.23 0.00 0.00 176.35 175.84 2klo s HIS 106 N -0.07 1.01 -0.12 0.29 3.76 -0.01 -4.96 115.29 115.19 2klo s HIS 106 Ca 0.01 -1.22 -0.27 0.00 -0.15 0.00 0.00 55.06 53.44 2klo s HIS 106 Cb -0.06 -1.26 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 2klo s HIS 106 CO 0.00 -0.80 0.88 0.50 -0.85 0.00 0.00 174.74 174.47 2klo s ARG 107 N 1.86 4.38 0.15 1.40 3.00 -1.26 -1.61 118.95 126.88 2klo s ARG 107 Ca 0.07 1.16 0.09 0.00 -1.00 0.00 0.00 55.73 56.05 2klo s ARG 107 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 34.95 31.21 2klo s ARG 107 CO -0.26 -0.24 -0.20 0.42 0.00 0.00 0.00 175.30 175.02 2klo s ILE 108 N 1.79 1.88 -1.76 4.11 -1.09 -0.20 -5.00 121.20 120.94 2klo s ILE 108 Ca 0.43 -1.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.08 2klo s ILE 108 Cb -0.18 -1.82 0.16 0.00 -1.58 0.00 0.00 42.46 39.05 2klo s ILE 108 CO 0.17 -0.21 0.95 -2.11 -1.23 0.00 0.00 174.94 172.51 2klo n ARG 109 N 0.50 0.16 -0.05 2.79 1.85 -1.26 -1.88 116.66 118.78 2klo n ARG 109 Ca -0.15 0.09 -0.03 0.00 -1.00 0.00 0.00 57.85 56.76 2klo n ARG 109 Cb 0.56 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.37 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 -1.12 0.69 0.00 8.89 5.66 -1.26 -5.10 114.28 122.03 2klo n THR 110 Ca 0.04 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 2klo n THR 110 Cb 0.04 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 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 -2.37 0.00 -4.76 1.09 -0.08 -0.79 -5.17 116.55 104.48 2klo n ASP 111 Ca -0.17 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.78 2klo n ASP 111 Cb 0.79 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.18 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 4.61 0.11 5.18 2.01 -1.26 -1.03 115.64 123.25 2klo s THR 112 Ca 0.00 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 2klo s THR 112 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2klo s THR 112 CO 0.00 0.34 0.05 -0.31 -0.69 0.00 0.00 174.62 174.01 2klo s TYR 113 N -1.18 0.70 0.12 4.92 1.51 -0.63 -0.61 117.35 122.18 2klo s TYR 113 Ca 0.23 -1.13 0.08 0.00 -1.01 0.00 0.00 57.07 55.24 2klo s TYR 113 Cb -0.12 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 2klo s TYR 113 CO 0.14 -0.49 -0.15 0.08 -1.11 0.00 0.00 175.55 174.02 2klo s VAL 114 N -4.00 3.03 -0.01 0.71 1.01 0.13 -0.83 120.40 120.44 2klo s VAL 114 Ca 0.18 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.76 2klo s VAL 114 Cb 0.07 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2klo s VAL 114 CO -0.03 0.07 -0.22 -0.75 0.00 0.00 0.00 175.10 174.17 2klo s LYS 115 N -2.26 1.78 -0.14 2.72 2.20 -0.64 -1.74 119.74 121.67 2klo s LYS 115 Ca 0.20 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 2klo s LYS 115 Cb -0.10 -1.74 0.05 0.00 -1.51 0.00 0.00 37.83 34.53 2klo s LYS 115 CO 0.12 0.47 0.33 -1.17 -0.36 0.00 0.00 175.35 174.75 2klo s LEU 116 N -0.61 0.13 -0.60 5.43 2.96 -0.24 -1.04 118.68 124.71 2klo s LEU 116 Ca 0.09 0.72 -0.21 0.00 -0.22 0.00 0.00 54.13 54.51 2klo s LEU 116 Cb -0.09 1.06 0.07 0.00 0.50 0.00 0.00 46.19 47.74 2klo s LEU 116 CO -0.01 -0.18 0.84 -1.81 -1.32 0.00 0.00 176.35 173.87 2klo s ASP 117 N 1.37 6.20 0.00 3.68 1.01 -1.12 -4.75 116.67 123.06 2klo s ASP 117 Ca -0.09 -1.03 0.18 0.00 0.71 0.00 0.00 52.55 52.32 2klo s ASP 117 Cb -0.09 -2.37 1.09 0.00 1.01 0.00 0.00 42.92 42.56 2klo s ASP 117 CO -0.11 -1.24 1.49 0.29 0.21 0.00 0.00 175.17 175.81 2klo n LYS 118 N 7.05 0.57 0.00 8.23 4.01 -1.26 -2.85 118.16 133.91 2klo n LYS 118 Ca -0.05 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.84 2klo n LYS 118 Cb 0.45 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.55 2klo n LYS 118 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2klo n ALA 119 N -1.00 2.47 -1.76 7.82 0.00 -1.26 -4.98 120.51 121.80 2klo n ALA 119 Ca 0.14 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.52 2klo n ALA 119 Cb 0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.60 3.23 -0.58 0.00 1.01 -1.13 -4.92 120.40 116.40 2klo s VAL 120 Ca 0.22 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 2klo s VAL 120 Cb 0.16 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 2klo s VAL 120 CO 0.24 0.29 2.24 -1.81 0.00 0.00 0.00 175.10 176.06 2klo s ASP 121 N -0.76 4.62 0.36 3.32 1.11 -1.26 -4.83 116.67 119.23 2klo s ASP 121 Ca 0.46 0.67 0.05 0.00 0.18 0.00 0.00 52.55 53.92 2klo s ASP 121 Cb -0.34 -2.52 0.72 0.00 1.07 0.00 0.00 42.92 41.85 2klo s ASP 121 CO 0.45 -2.87 1.97 0.25 1.18 0.00 0.00 175.17 176.15 2klo h LEU 122 N 19.05 0.67 -0.76 1.23 7.12 -1.96 -2.17 115.31 138.50 2klo h LEU 122 Ca -0.20 -0.00 0.11 0.00 0.13 0.00 0.00 57.88 57.92 2klo h LEU 122 Cb 1.20 -0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 41.10 2klo h LEU 122 CO 1.16 0.45 0.37 0.00 -0.13 0.00 0.00 178.44 180.29 2klo h ALA 123 N 1.61 1.07 -0.60 1.25 0.00 -2.00 0.29 119.26 120.89 2klo h ALA 123 Ca 0.30 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2klo h ALA 123 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2klo h ALA 123 CO -0.09 -0.08 0.14 0.78 0.00 0.00 0.00 179.25 180.00 2klo h GLY 124 N 0.59 0.99 0.85 0.00 0.00 -1.80 -2.52 103.07 101.18 2klo h GLY 124 Ca 0.39 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2klo h GLY 124 CO -0.31 0.55 -0.04 1.41 0.00 0.00 0.00 176.54 178.15 2klo h LEU 125 N 0.89 0.47 -0.84 3.11 3.38 -0.71 -1.07 115.31 120.54 2klo h LEU 125 Ca 0.19 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.93 2klo h LEU 125 Cb 0.32 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 2klo h LEU 125 CO -0.00 0.70 0.46 0.74 0.09 0.00 0.00 178.44 180.43 2klo h THR 126 N 0.22 0.83 0.33 0.22 2.02 -0.24 0.10 112.91 116.40 2klo h THR 126 Ca 0.07 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2klo h THR 126 Cb 0.49 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2klo h THR 126 CO 0.02 0.13 -0.16 0.00 0.37 0.00 0.00 175.52 175.88 2klo h ALA 127 N 1.50 -0.44 0.00 6.16 0.00 -1.31 0.31 119.26 125.48 2klo h ALA 127 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2klo h ALA 127 Cb 0.49 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2klo h ALA 127 CO -0.30 -0.50 0.00 2.89 0.00 0.00 0.00 179.25 181.34 2klo n ARG 128 N -5.10 0.02 -0.08 0.00 -4.01 -0.42 -1.31 116.66 105.76 2klo n ARG 128 Ca -0.09 0.46 -0.22 0.00 -1.04 0.00 0.00 57.85 56.96 2klo n ARG 128 Cb 0.26 -1.56 -0.12 0.00 -3.04 0.00 0.00 32.46 28.00 2klo n ARG 128 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2klo n LEU 129 N -1.61 2.45 0.04 2.89 7.94 0.34 -4.11 117.00 124.94 2klo n LEU 129 Ca 0.01 0.18 0.06 0.00 -1.11 0.00 0.00 56.01 55.15 2klo n LEU 129 Cb 0.05 -0.97 0.28 0.00 0.53 0.00 0.00 43.42 43.31 2klo n LEU 129 CO 0.05 0.71 0.69 0.00 -1.11 0.00 0.00 177.39 177.73 2klo n ALA 130 N -3.40 1.38 0.21 1.96 0.00 0.09 -2.82 120.51 117.94 2klo n ALA 130 Ca -0.40 0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.21 2klo n ALA 130 Cb 0.93 -1.20 0.81 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 0.00 -2.93 0.00 2.07 -1.35 -3.46 115.15 109.48 2klo h HIS 131 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 2klo h HIS 131 Cb 0.16 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.11 2klo h HIS 131 CO 0.00 0.00 -0.12 0.72 -3.07 0.00 0.00 177.93 175.46 2klo n HIS 132 N -3.97 -1.17 0.10 6.12 -0.00 -1.13 -4.88 115.22 110.30 2klo n HIS 132 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.65 2klo n HIS 132 Cb 0.27 -1.74 -0.05 0.00 -0.00 0.00 0.00 29.99 28.48 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 0.00 -0.08 1.59 2.07 -1.88 -3.36 116.25 114.58 2klo h VAL 133 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2klo h VAL 133 Cb 0.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2klo h VAL 133 CO 0.17 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.76 2klo n HIS 134 N -3.79 0.10 0.20 1.57 -0.00 -1.26 -4.82 115.22 107.22 2klo n HIS 134 Ca -0.05 -0.19 -0.15 0.00 -0.00 0.00 0.00 57.72 57.33 2klo n HIS 134 Cb 0.20 -0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 30.11 2klo n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2klo h ALA 135 N 1.24 -0.48 -3.71 1.59 0.00 -1.97 -3.47 119.26 112.47 2klo h ALA 135 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2klo h ALA 135 Cb 0.41 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2klo h ALA 135 CO 0.00 -0.78 -0.09 -0.85 0.00 0.00 0.00 179.25 177.53 2klo n GLU 136 N -5.32 -2.21 -2.91 0.00 0.28 -1.26 -0.00 120.64 109.22 2klo n GLU 136 Ca -0.10 0.20 -0.10 0.00 -0.16 0.00 0.00 57.16 57.00 2klo n GLU 136 Cb 0.23 -4.58 0.04 0.00 1.43 0.00 0.00 31.44 28.56 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 -0.42 0.22 0.00 -1.84 0.00 -1.26 -5.25 105.19 96.63 2klo n GLY 137 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36