#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 2.91 0.16 0.55 0.00 -1.26 -5.13 121.76 118.99 2klo s ALA 2 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 2klo s ALA 2 Cb 0.00 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 2klo s ALA 2 CO 0.00 -1.81 0.29 0.00 0.00 0.00 0.00 175.76 174.24 2klo s ALA 3 N -3.49 -0.11 -0.59 0.00 0.00 -1.26 -5.13 121.76 111.17 2klo s ALA 3 Ca 0.67 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.89 2klo s ALA 3 Cb -0.07 0.81 0.17 0.00 0.00 0.00 0.00 23.12 24.03 2klo s ALA 3 CO 0.48 -0.64 0.42 -1.54 0.00 0.00 0.00 175.76 174.48 2klo s SER 4 N -2.95 3.76 0.69 0.00 1.04 -1.26 -5.11 113.70 109.87 2klo s SER 4 Ca 0.15 -3.50 -0.11 0.00 0.48 0.00 0.00 55.95 52.97 2klo s SER 4 Cb 0.03 -1.25 0.01 0.00 0.10 0.00 0.00 66.02 64.91 2klo s SER 4 CO -0.02 -0.13 1.06 -2.16 0.98 0.00 0.00 173.24 172.97 2klo s PRO 5 N -0.84 2.96 -0.16 4.02 0.04 -1.26 -5.06 135.00 134.70 2klo s PRO 5 Ca 0.26 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 2klo s PRO 5 Cb -0.05 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2klo s PRO 5 CO -0.16 -1.08 -0.00 -1.12 0.04 0.00 0.00 177.00 174.68 2klo s SER 6 N -3.80 5.09 0.72 6.66 0.01 -1.26 -5.10 113.70 116.02 2klo s SER 6 Ca 0.58 -0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.66 2klo s SER 6 Cb -0.14 -1.84 0.03 0.00 0.21 0.00 0.00 66.02 64.28 2klo s SER 6 CO 0.55 0.17 1.11 0.00 0.41 0.00 0.00 173.24 175.48 2klo s ALA 7 N 0.35 2.34 0.25 1.44 0.00 -1.26 -5.07 121.76 119.81 2klo s ALA 7 Ca -0.02 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2klo s ALA 7 Cb -0.13 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2klo s ALA 7 CO 0.02 -1.54 0.07 -0.51 0.00 0.00 0.00 175.76 173.79 2klo s LEU 8 N -5.37 1.81 0.17 0.00 1.43 -1.26 -5.18 118.68 110.29 2klo s LEU 8 Ca 0.65 -1.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 2klo s LEU 8 Cb -0.19 -0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.01 2klo s LEU 8 CO 0.48 -0.67 0.57 -1.59 0.23 0.00 0.00 176.35 175.37 2klo s LYS 9 N -3.99 1.32 -0.29 1.70 0.00 -1.26 -5.17 119.74 112.05 2klo s LYS 9 Ca 0.35 -0.63 -0.16 0.00 0.00 0.00 0.00 55.97 55.53 2klo s LYS 9 Cb 0.07 0.56 0.15 0.00 0.00 0.00 0.00 37.83 38.62 2klo s LYS 9 CO 0.12 -0.57 1.00 0.20 0.00 0.00 0.00 175.35 176.11 2klo s GLY 10 N -2.80 0.03 -0.34 0.59 0.00 -1.26 -5.13 107.32 98.42 2klo s GLY 10 Ca 0.04 3.19 -0.01 0.00 0.00 0.00 0.00 44.72 47.94 2klo s GLY 10 CO -0.09 2.70 0.19 0.14 0.00 0.00 0.00 173.10 176.05 2klo s VAL 11 N 1.48 0.12 -0.64 1.40 1.01 -1.26 -5.02 120.40 117.49 2klo s VAL 11 Ca -0.08 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.44 2klo s VAL 11 Cb -0.04 -1.11 0.38 0.00 0.00 0.00 0.00 36.38 35.61 2klo s VAL 11 CO -0.15 -0.93 1.09 -1.54 0.00 0.00 0.00 175.10 173.57 2klo n SER 12 N 4.30 3.20 -0.02 3.32 3.41 -1.26 -4.64 113.62 121.93 2klo n SER 12 Ca 0.08 -2.44 -0.10 0.00 -0.26 0.00 0.00 58.87 56.15 2klo n SER 12 Cb 0.38 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.80 -0.32 0.00 4.33 1.08 -1.98 0.97 115.11 120.98 2klo h GLN 13 Ca 0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2klo h GLN 13 Cb 1.21 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 2klo h GLN 13 CO 0.24 -0.21 0.00 0.00 -0.95 0.00 0.00 178.83 177.91 2klo n ALA 14 N -2.83 1.26 -0.11 3.87 0.00 -1.26 -0.94 120.51 120.50 2klo n ALA 14 Ca -0.02 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 2klo n ALA 14 Cb 0.31 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 2klo n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2klo n LEU 15 N -1.75 2.06 -0.26 0.00 7.99 -0.32 -4.34 117.00 120.38 2klo n LEU 15 Ca 0.01 0.33 -0.05 0.00 -0.01 0.00 0.00 56.01 56.28 2klo n LEU 15 Cb 0.08 -0.93 0.06 0.00 -0.11 0.00 0.00 43.42 42.52 2klo n LEU 15 CO 0.08 0.49 1.13 -0.07 -1.51 0.00 0.00 177.39 177.51 2klo h LEU 16 N -0.81 0.88 -1.14 2.23 3.38 -0.24 -2.75 115.31 116.85 2klo h LEU 16 Ca -0.50 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.46 2klo h LEU 16 Cb 1.54 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 2klo h LEU 16 CO -0.25 0.69 0.59 1.05 0.09 0.00 0.00 178.44 180.62 2klo h GLU 17 N 0.99 1.00 0.00 1.13 4.11 -1.27 -0.65 114.58 119.90 2klo h GLU 17 Ca 0.26 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.58 2klo h GLU 17 Cb -0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2klo h GLU 17 CO -0.05 0.66 -0.21 0.00 0.07 0.00 0.00 179.01 179.49 2klo h ARG 18 N 1.03 0.00 -0.14 1.06 3.08 -1.68 -2.21 114.38 115.52 2klo h ARG 18 Ca 0.39 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 2klo h ARG 18 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2klo h ARG 18 CO -0.15 0.21 -0.10 0.82 -1.07 0.00 0.00 179.97 179.68 2klo h ILE 19 N 0.00 1.15 -0.65 2.04 1.08 -1.07 -2.26 117.51 117.80 2klo h ILE 19 Ca -0.00 -0.65 0.04 0.00 -0.39 0.00 0.00 64.86 63.85 2klo h ILE 19 Cb 0.56 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 2klo h ILE 19 CO 0.03 0.20 0.39 -0.09 -0.69 0.00 0.00 178.15 177.99 2klo h ARG 20 N 0.20 0.74 0.00 2.37 1.12 -1.45 -0.08 114.38 117.28 2klo h ARG 20 Ca 0.04 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.81 2klo h ARG 20 Cb 0.30 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2klo h ARG 20 CO 0.02 0.49 -0.27 0.00 -3.11 0.00 0.00 179.97 177.10 2klo h ALA 21 N 1.29 1.38 -0.13 2.80 0.00 -1.53 -2.70 119.26 120.37 2klo h ALA 21 Ca 0.27 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2klo h ALA 21 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2klo h ALA 21 CO -0.12 0.33 -0.78 0.87 0.00 0.00 0.00 179.25 179.55 2klo h LYS 22 N 0.00 0.70 0.00 0.00 1.57 -0.80 -3.11 116.57 114.92 2klo h LYS 22 Ca -0.00 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2klo h LYS 22 Cb 0.53 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2klo h LYS 22 CO 0.03 1.19 0.00 0.39 -0.57 0.00 0.00 179.45 180.50 2klo n GLU 23 N -3.91 0.04 -0.31 3.15 -0.58 -0.46 -3.56 120.64 115.02 2klo n GLU 23 Ca -0.07 0.31 0.13 0.00 -0.42 0.00 0.00 57.16 57.11 2klo n GLU 23 Cb 0.74 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 30.42 2klo n GLU 23 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2klo h VAL 24 N 0.00 0.52 -0.95 2.62 3.04 -1.46 -1.43 116.25 118.58 2klo h VAL 24 Ca 0.00 -0.15 0.27 0.00 -1.01 0.00 0.00 66.70 65.81 2klo h VAL 24 Cb 0.12 0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 29.38 2klo h VAL 24 CO 0.00 0.08 0.71 0.06 -1.01 0.00 0.00 177.57 177.41 2klo h GLN 25 N 0.45 0.00 -0.08 4.17 3.07 -1.84 -0.96 115.11 119.93 2klo h GLN 25 Ca 0.56 0.00 0.02 0.00 0.09 0.00 0.00 58.65 59.32 2klo h GLN 25 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.58 2klo h GLN 25 CO -0.50 0.00 0.11 -0.22 0.09 0.00 0.00 178.83 178.31 2klo h LYS 26 N 0.00 0.00 -0.93 0.06 3.64 -1.56 -2.04 116.57 115.73 2klo h LYS 26 Ca 0.45 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.96 2klo h LYS 26 Cb 1.87 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.61 2klo h LYS 26 CO -0.00 0.00 0.60 -0.56 -2.27 0.00 0.00 179.45 177.21 2klo h GLN 27 N 0.00 0.80 0.00 1.90 3.07 -1.38 -0.22 115.11 119.28 2klo h GLN 27 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2klo h GLN 27 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.63 2klo h GLN 27 CO -0.00 0.53 0.00 1.25 0.09 0.00 0.00 178.83 180.70 2klo h LEU 28 N 0.82 0.00-10.71 0.06 5.85 -1.60 -3.44 115.31 106.29 2klo h LEU 28 Ca 0.46 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.74 2klo h LEU 28 Cb 0.61 0.00 0.17 0.00 0.37 0.00 0.00 40.66 41.80 2klo h LEU 28 CO -0.23 0.00 0.35 0.00 -0.34 0.00 0.00 178.44 178.22 2klo s ALA 29 N -3.70 1.85 -0.18 1.25 0.00 -0.09 -5.08 121.76 115.82 2klo s ALA 29 Ca 0.01 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2klo s ALA 29 Cb 0.09 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2klo s ALA 29 CO 0.52 -2.68 -0.15 0.50 0.00 0.00 0.00 175.76 173.95 2klo s ARG 30 N -5.75 3.15 -0.21 0.00 6.06 -1.26 -5.07 118.95 115.87 2klo s ARG 30 Ca 0.72 -0.76 -0.02 0.00 -2.50 0.00 0.00 55.73 53.18 2klo s ARG 30 Cb -0.06 -2.67 0.06 0.00 0.06 0.00 0.00 34.95 32.35 2klo s ARG 30 CO 0.54 -0.11 0.01 -1.64 -2.50 0.00 0.00 175.30 171.60 2klo s MET 31 N 1.12 0.92 0.39 5.12 -1.94 -1.26 -5.14 119.30 118.50 2klo s MET 31 Ca 0.00 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 2klo s MET 31 Cb -0.14 -2.24 0.09 0.00 2.01 0.00 0.00 34.83 34.55 2klo s MET 31 CO -0.05 -0.65 0.45 -2.37 -0.01 0.00 0.00 175.02 172.39 2klo n THR 32 N 4.94 0.00 -1.30 2.05 5.66 -1.26 -4.30 114.28 120.07 2klo n THR 32 Ca -0.09 -0.29 -0.10 0.00 -3.05 0.00 0.00 64.05 60.51 2klo n THR 32 Cb 0.46 -1.57 -0.04 0.00 -1.55 0.00 0.00 70.33 67.63 2klo n THR 32 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2klo n ARG 33 N -2.26 -0.94 0.09 1.09 1.74 -1.26 -4.69 116.66 110.43 2klo n ARG 33 Ca 0.06 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 2klo n ARG 33 Cb 0.21 -4.84 0.00 0.00 -1.02 0.00 0.00 32.46 26.81 2klo n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klo n PRO 35 N -2.95 0.13 0.13 0.00 -0.04 -1.26 -1.53 135.00 129.47 2klo n PRO 35 Ca 0.00 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.65 2klo n PRO 35 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 2klo n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2klo h GLU 36 N 0.00 0.06 0.00 0.54 5.08 -1.90 -2.95 114.58 115.41 2klo h GLU 36 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2klo h GLU 36 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2klo h GLU 36 CO 0.00 0.64 -0.09 0.37 -1.00 0.00 0.00 179.01 178.93 2klo h GLN 37 N 0.05 0.00 -1.01 2.33 4.15 -1.65 -3.25 115.11 115.73 2klo h GLN 37 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 2klo h GLN 37 Cb 1.06 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.65 2klo h GLN 37 CO 0.08 0.09 0.62 1.49 -1.93 0.00 0.00 178.83 179.18 2klo h GLU 38 N 0.00 0.84 -0.46 1.69 4.57 -1.62 0.12 114.58 119.72 2klo h GLU 38 Ca -0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2klo h GLU 38 Cb 0.80 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2klo h GLU 38 CO 0.01 0.55 0.15 -0.07 -1.18 0.00 0.00 179.01 178.48 2klo h LEU 39 N 0.86 0.61 -0.43 1.64 3.38 -1.73 0.23 115.31 119.87 2klo h LEU 39 Ca 0.55 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.31 2klo h LEU 39 Cb 0.73 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2klo h LEU 39 CO -0.33 0.57 -0.24 0.03 0.09 0.00 0.00 178.44 178.56 2klo h ARG 40 N 0.65 0.91 0.06 1.13 -0.00 -0.97 -2.25 114.38 113.92 2klo h ARG 40 Ca 0.16 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.98 59.22 2klo h ARG 40 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.13 2klo h ARG 40 CO -0.01 1.07 -0.03 -0.07 0.00 0.00 0.00 179.97 180.93 2klo h LEU 41 N 0.74 -0.07 -1.05 3.04 3.38 -0.78 -1.48 115.31 119.09 2klo h LEU 41 Ca 0.09 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.20 2klo h LEU 41 Cb 0.81 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 2klo h LEU 41 CO 0.07 -0.00 0.62 1.56 0.09 0.00 0.00 178.44 180.77 2klo h GLN 42 N -0.14 0.74 -0.02 1.13 4.20 -0.90 -1.02 115.11 119.11 2klo h GLN 42 Ca -0.01 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2klo h GLN 42 Cb 0.11 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2klo h GLN 42 CO 0.01 0.49 -0.21 0.00 -0.67 0.00 0.00 178.83 178.46 2klo h ARG 43 N 0.77 0.18 -0.64 1.46 2.47 -1.06 -3.15 114.38 114.40 2klo h ARG 43 Ca 0.56 -0.16 0.07 0.00 -1.26 0.00 0.00 59.98 59.19 2klo h ARG 43 Cb 0.87 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.19 2klo h ARG 43 CO -0.35 0.86 0.43 -0.07 0.56 0.00 0.00 179.97 181.39 2klo h LEU 44 N -0.44 0.52 -0.02 3.04 3.38 -0.18 -0.94 115.31 120.67 2klo h LEU 44 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2klo h LEU 44 Cb 0.91 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2klo h LEU 44 CO 0.04 0.33 -0.13 -1.84 0.09 0.00 0.00 178.44 176.93 2klo n GLU 45 N -4.48 0.07 0.00 1.13 0.28 -0.50 -3.83 120.64 113.31 2klo n GLU 45 Ca 0.10 -0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.19 2klo n GLU 45 Cb 0.28 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 32.17 2klo n GLU 45 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2klo n ARG 46 N -1.45 0.17 -0.05 3.44 0.63 -0.36 -4.22 116.66 114.82 2klo n ARG 46 Ca 0.08 0.09 -0.11 0.00 -0.92 0.00 0.00 57.85 56.99 2klo n ARG 46 Cb 0.33 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.66 2klo n ARG 46 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2klo h LEU 47 N 0.00 -1.35 -1.12 6.15 3.38 -1.71 0.26 115.31 120.93 2klo h LEU 47 Ca 0.00 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2klo h LEU 47 Cb 0.30 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2klo h LEU 47 CO 0.00 -0.34 0.35 1.55 0.09 0.00 0.00 178.44 180.09 2klo h PRO 48 N -0.38 0.97 -0.39 1.13 0.13 -1.91 -2.67 132.00 128.89 2klo h PRO 48 Ca 0.04 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2klo h PRO 48 Cb 0.48 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 2klo h PRO 48 CO -0.38 0.73 0.23 0.93 -0.23 0.00 0.00 178.00 179.28 2klo h GLU 49 N 0.97 0.46 -0.35 0.86 3.07 -1.64 0.14 114.58 118.09 2klo h GLU 49 Ca 0.24 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2klo h GLU 49 Cb 0.07 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2klo h GLU 49 CO -0.03 0.30 0.18 -0.07 -1.40 0.00 0.00 179.01 177.99 2klo h LEU 50 N 0.47 0.45 -0.15 1.33 -0.00 -0.69 -0.13 115.31 116.59 2klo h LEU 50 Ca 0.15 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2klo h LEU 50 Cb -0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2klo h LEU 50 CO -0.06 0.42 0.10 0.00 -0.00 0.00 0.00 178.44 178.90 2klo h ALA 51 N 1.04 0.19 -0.38 1.53 0.00 -1.14 -0.71 119.26 119.79 2klo h ALA 51 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2klo h ALA 51 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2klo h ALA 51 CO -0.02 -0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.14 2klo h ARG 52 N 0.19 0.44 -0.64 0.00 2.47 -0.58 -1.96 114.38 114.29 2klo h ARG 52 Ca 0.06 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2klo h ARG 52 Cb 0.00 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 2klo h ARG 52 CO -0.01 0.29 0.32 0.28 0.56 0.00 0.00 179.97 181.41 2klo h VAL 53 N 0.45 1.22 -0.06 2.04 2.07 -0.80 -2.37 116.25 118.80 2klo h VAL 53 Ca 0.15 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2klo h VAL 53 Cb 0.00 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2klo h VAL 53 CO -0.07 0.25 -0.04 0.25 0.02 0.00 0.00 177.57 177.98 2klo h LEU 54 N 0.88 -0.13 -1.75 2.57 5.85 -0.61 0.26 115.31 122.39 2klo h LEU 54 Ca 0.22 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.03 2klo h LEU 54 Cb 0.10 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2klo h LEU 54 CO -0.03 -0.06 0.27 0.08 -0.34 0.00 0.00 178.44 178.36 2klo h ARG 55 N -0.04 0.30 -0.36 1.25 0.11 -1.19 -0.61 114.38 113.84 2klo h ARG 55 Ca 0.04 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.03 2klo h ARG 55 Cb 0.10 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2klo h ARG 55 CO -0.09 0.20 -0.04 -0.97 0.10 0.00 0.00 179.97 179.17 2klo h ASN 56 N 0.31 0.66 -0.81 0.08 -1.24 -0.58 -1.24 115.58 112.75 2klo h ASN 56 Ca 0.17 -0.34 0.05 0.00 0.71 0.00 0.00 56.30 56.90 2klo h ASN 56 Cb 0.30 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 2klo h ASN 56 CO -0.04 0.84 0.50 0.58 -1.29 0.00 0.00 177.43 178.03 2klo h VAL 57 N 0.47 1.05 0.00 2.57 2.07 0.54 0.14 116.25 123.09 2klo h VAL 57 Ca 0.10 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2klo h VAL 57 Cb 0.53 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2klo h VAL 57 CO 0.03 0.17 -0.19 -0.26 0.02 0.00 0.00 177.57 177.33 2klo h PHE 58 N 0.93 0.00 0.22 1.57 -1.00 -1.25 -1.57 116.94 115.84 2klo h PHE 58 Ca 0.35 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.80 2klo h PHE 58 Cb 0.14 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.73 2klo h PHE 58 CO -0.04 0.19 -1.47 -0.24 -1.61 0.00 0.00 178.31 175.14 2klo h VAL 59 N 0.00 1.28 -0.69 -0.55 3.04 0.09 -3.28 116.25 116.14 2klo h VAL 59 Ca -0.00 -2.75 -0.07 0.00 -1.01 0.00 0.00 66.70 62.86 2klo h VAL 59 Cb 0.87 2.98 -0.03 0.00 -2.01 0.00 0.00 31.29 33.11 2klo h VAL 59 CO 0.03 0.83 0.16 -1.28 -1.01 0.00 0.00 177.57 176.30 2klo h SER 60 N 0.13 1.04 0.99 3.17 0.87 -0.68 -2.71 113.55 116.36 2klo h SER 60 Ca -0.24 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2klo h SER 60 Cb 2.12 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2klo h SER 60 CO 0.25 1.00 0.00 1.21 -0.53 0.00 0.00 176.83 178.76 2klo n GLU 61 N -4.23 0.14 -0.86 2.24 4.07 -0.60 -4.91 120.64 116.49 2klo n GLU 61 Ca 0.05 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 2klo n GLU 61 Cb 0.26 -1.71 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 -1.97 -0.99 -4.76 5.31 0.63 -1.02 -4.96 116.66 108.90 2klo n ARG 62 Ca 0.04 0.25 -0.26 0.00 -0.92 0.00 0.00 57.85 56.96 2klo n ARG 62 Cb 0.31 -4.39 -0.17 0.00 0.45 0.00 0.00 32.46 28.66 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 -1.28 2.01 0.00 -0.14 -2.85 -1.25 -5.02 119.74 111.20 2klo s LYS 63 Ca 0.00 -0.54 0.26 0.00 -1.00 0.00 0.00 55.97 54.69 2klo s LYS 63 Cb 0.00 -1.62 1.17 0.00 -2.06 0.00 0.00 37.83 35.31 2klo s LYS 63 CO 0.00 0.08 1.86 -0.35 0.10 0.00 0.00 175.35 177.04 2klo n PRO 64 N 3.68 0.07 -4.64 1.78 -0.04 -1.26 -4.76 135.00 129.82 2klo n PRO 64 Ca -0.22 0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2klo n PRO 64 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.92 1.26 0.05 0.55 0.00 -1.26 -1.75 121.76 117.69 2klo s ALA 65 Ca 0.15 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2klo s ALA 65 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2klo s ALA 65 CO 0.47 0.30 -0.10 -0.51 0.00 0.00 0.00 175.76 175.91 2klo s LEU 66 N -0.52 2.25 0.53 0.00 2.01 -0.37 -4.98 118.68 117.61 2klo s LEU 66 Ca 0.05 -0.55 -0.19 0.00 0.01 0.00 0.00 54.13 53.45 2klo s LEU 66 Cb -0.06 -0.30 -0.06 0.00 0.01 0.00 0.00 46.19 45.77 2klo s LEU 66 CO -0.00 -0.14 1.10 -0.89 1.01 0.00 0.00 176.35 177.43 2klo s THR 67 N -1.27 3.34 0.18 5.49 2.01 -1.26 -0.48 115.64 123.65 2klo s THR 67 Ca -0.06 0.83 -0.14 0.00 0.31 0.00 0.00 61.69 62.63 2klo s THR 67 Cb -0.10 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.16 2klo s THR 67 CO 0.01 -0.19 1.76 -0.03 -0.69 0.00 0.00 174.62 175.48 2klo h MET 68 N 1.25 0.35 -0.43 4.92 4.05 -1.30 -0.72 114.93 123.05 2klo h MET 68 Ca -0.50 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 58.82 2klo h MET 68 Cb 1.25 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 2klo h MET 68 CO 0.57 0.23 -0.08 1.49 0.23 0.00 0.00 176.91 179.36 2klo h GLU 69 N 0.36 0.75 0.30 0.39 4.81 -1.93 -0.49 114.58 118.78 2klo h GLU 69 Ca 0.22 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2klo h GLU 69 Cb 0.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2klo h GLU 69 CO -0.21 0.81 -0.15 0.28 -0.73 0.00 0.00 179.01 179.02 2klo h VAL 70 N 0.69 0.69 0.00 0.32 2.07 -1.81 -2.70 116.25 115.51 2klo h VAL 70 Ca 0.12 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2klo h VAL 70 Cb 0.54 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2klo h VAL 70 CO 0.03 0.11 -0.16 1.62 0.02 0.00 0.00 177.57 179.19 2klo h VAL 71 N -0.75 1.02 0.74 2.57 3.04 -1.09 -1.85 116.25 119.92 2klo h VAL 71 Ca -0.04 -0.58 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 2klo h VAL 71 Cb 0.50 1.32 0.01 0.00 -2.01 0.00 0.00 31.29 31.11 2klo h VAL 71 CO 0.07 0.16 -0.36 0.00 -1.01 0.00 0.00 177.57 176.43 2klo h ALA 73 N -1.47 0.52 -0.93 0.00 0.00 -1.41 -1.40 119.26 114.57 2klo h ALA 73 Ca -0.10 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2klo h ALA 73 Cb 0.76 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2klo h ALA 73 CO 0.17 -0.20 0.60 0.00 0.00 0.00 0.00 179.25 179.82 2klo h ARG 74 N 0.36 0.91 0.12 0.00 2.47 -1.26 0.21 114.38 117.19 2klo h ARG 74 Ca 0.20 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2klo h ARG 74 Cb 0.15 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2klo h ARG 74 CO -0.18 0.60 -0.06 0.52 0.56 0.00 0.00 179.97 181.42 2klo h MET 75 N 0.94 -0.16 -0.36 0.04 2.86 -0.57 -3.26 114.93 114.42 2klo h MET 75 Ca 0.44 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 2klo h MET 75 Cb 0.41 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2klo h MET 75 CO -0.20 0.22 0.22 -0.24 1.06 0.00 0.00 176.91 177.97 2klo h VAL 76 N -0.97 1.10 0.00 -2.22 3.04 -1.11 -0.85 116.25 115.24 2klo h VAL 76 Ca -0.02 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 2klo h VAL 76 Cb 0.44 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 2klo h VAL 76 CO 0.03 0.10 -0.05 -0.78 -1.01 0.00 0.00 177.57 175.86 2klo h ASP 77 N 0.48 0.00 0.01 3.17 3.58 -1.09 -1.98 116.42 120.60 2klo h ASP 77 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2klo h ASP 77 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2klo h ASP 77 CO -0.03 0.05 0.00 -0.24 -2.88 0.00 0.00 179.24 176.14 2klo n SER 78 N -3.33 0.00 0.34 2.28 2.88 -0.32 -3.32 113.62 112.14 2klo n SER 78 Ca -0.02 -0.43 0.21 0.00 -1.33 0.00 0.00 58.87 57.30 2klo n SER 78 Cb 0.20 -0.01 1.11 0.00 -0.75 0.00 0.00 64.21 64.77 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 -3.01 0.54 0.00 0.00 6.02 -1.21 -3.74 117.38 115.97 2klo n GLN 80 Ca -0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 2klo n GLN 80 Cb 0.15 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.51 2klo n GLN 80 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2klo n THR 81 N 3.92 0.00 -2.13 5.09 5.66 -1.26 -5.07 114.28 120.48 2klo n THR 81 Ca 0.12 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.10 2klo n THR 81 Cb 0.10 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.89 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 -1.11 0.43 -2.19 1.79 0.00 -1.25 -5.17 120.51 113.01 2klo n ALA 82 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 2klo n ALA 82 Cb 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.86 1.62 0.48 0.00 0.05 -1.26 -5.14 118.68 113.58 2klo s LEU 83 Ca 0.02 -1.27 -0.03 0.00 0.05 0.00 0.00 54.13 52.89 2klo s LEU 83 Cb 0.09 0.25 -0.02 0.00 -2.05 0.00 0.00 46.19 44.47 2klo s LEU 83 CO -0.03 -0.74 0.75 -0.44 -0.55 0.00 0.00 176.35 175.35 2klo s SER 84 N -3.12 5.97 0.53 1.48 0.01 -1.26 -4.86 113.70 112.45 2klo s SER 84 Ca 0.30 0.63 0.29 0.00 1.31 0.00 0.00 55.95 58.48 2klo s SER 84 Cb 0.07 -1.88 1.47 0.00 0.21 0.00 0.00 66.02 65.89 2klo s SER 84 CO 0.06 -0.70 2.07 1.55 0.41 0.00 0.00 173.24 176.63 2klo h PRO 85 N 0.24 0.00 -0.39 12.44 0.13 -1.96 -2.96 132.00 139.49 2klo h PRO 85 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 2klo h PRO 85 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2klo h PRO 85 CO 0.60 0.11 -0.38 0.78 -0.23 0.00 0.00 178.00 178.88 2klo h GLY 86 N 0.96 1.03 1.16 1.56 0.00 -1.99 -3.10 103.07 102.69 2klo h GLY 86 Ca -0.00 -1.05 0.05 0.00 0.00 0.00 0.00 47.33 46.33 2klo h GLY 86 CO 0.01 0.95 0.45 0.83 0.00 0.00 0.00 176.54 178.78 2klo h GLU 87 N 0.77 0.75 0.40 4.80 4.39 -1.93 -0.67 114.58 123.09 2klo h GLU 87 Ca 0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2klo h GLU 87 Cb 0.98 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2klo h GLU 87 CO 0.09 0.50 -0.19 1.98 -1.16 0.00 0.00 179.01 180.23 2klo h MET 88 N 0.77 -0.52 -0.40 2.33 4.05 -1.64 -1.99 114.93 117.54 2klo h MET 88 Ca 0.28 0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.70 2klo h MET 88 Cb 0.15 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2klo h MET 88 CO -0.09 -0.30 0.07 1.49 0.23 0.00 0.00 176.91 178.32 2klo h GLU 89 N -0.62 0.60 -0.54 0.39 4.57 -1.44 -1.62 114.58 115.93 2klo h GLU 89 Ca -0.05 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2klo h GLU 89 Cb 0.46 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2klo h GLU 89 CO 0.09 0.58 0.26 0.87 -1.18 0.00 0.00 179.01 179.63 2klo h LYS 90 N 0.59 0.76 -0.27 1.92 1.79 -0.98 -2.35 116.57 118.02 2klo h LYS 90 Ca 0.13 -0.09 -0.18 0.00 -2.18 0.00 0.00 60.65 58.33 2klo h LYS 90 Cb 0.27 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2klo h LYS 90 CO 0.00 0.59 -0.55 1.25 -1.08 0.00 0.00 179.45 179.66 2klo h HIS 91 N 0.76 1.04 -0.25 -1.35 2.76 -0.53 -2.60 115.15 114.98 2klo h HIS 91 Ca 0.19 -0.37 -0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2klo h HIS 91 Cb 0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2klo h HIS 91 CO 0.01 1.19 0.15 -0.07 -1.30 0.00 0.00 177.93 177.90 2klo h LEU 92 N 0.64 0.30 -0.17 0.26 3.38 -0.91 -2.08 115.31 116.73 2klo h LEU 92 Ca 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2klo h LEU 92 Cb 1.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2klo h LEU 92 CO 0.12 0.27 -0.02 1.62 0.09 0.00 0.00 178.44 180.52 2klo h VAL 93 N 0.31 1.27 -0.39 1.22 3.04 -1.54 -2.45 116.25 117.72 2klo h VAL 93 Ca 0.09 -0.92 0.07 0.00 -1.01 0.00 0.00 66.70 64.93 2klo h VAL 93 Cb 0.02 1.55 -0.09 0.00 -2.01 0.00 0.00 31.29 30.76 2klo h VAL 93 CO -0.02 0.27 -0.42 0.25 -1.01 0.00 0.00 177.57 176.65 2klo h LEU 94 N 0.03 -1.39 0.13 3.16 5.85 -1.32 0.27 115.31 122.04 2klo h LEU 94 Ca 0.04 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2klo h LEU 94 Cb 0.42 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2klo h LEU 94 CO 0.01 -0.37 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.61 2klo h LEU 95 N -0.33 -0.14 -1.65 2.25 3.38 -1.42 -1.34 115.31 116.06 2klo h LEU 95 Ca 0.14 -0.32 0.18 0.00 0.09 0.00 0.00 57.88 57.97 2klo h LEU 95 Cb 0.58 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2klo h LEU 95 CO -0.56 0.26 0.54 0.00 0.09 0.00 0.00 178.44 178.77 2klo h ALA 96 N 0.21 2.26 0.00 1.53 0.00 -1.21 0.88 119.26 122.94 2klo h ALA 96 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2klo h ALA 96 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2klo h ALA 96 CO 0.03 -0.49 -0.00 1.49 0.00 0.00 0.00 179.25 180.27 2klo h GLU 97 N 0.32 -0.01 0.00 0.00 4.57 -0.89 -3.05 114.58 115.53 2klo h GLU 97 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2klo h GLU 97 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2klo h GLU 97 CO -0.11 0.83 0.00 -0.07 -1.18 0.00 0.00 179.01 178.48 2klo h LEU 98 N -0.86 0.00 -5.58 1.64 4.07 -0.89 -3.39 115.31 110.30 2klo h LEU 98 Ca -0.00 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.56 2klo h LEU 98 Cb 0.84 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.29 2klo h LEU 98 CO 0.00 0.00 -0.86 0.00 -1.08 0.00 0.00 178.44 176.50 2klo n LEU 99 N -2.71 -0.85 0.00 1.67 -0.00 0.27 -4.95 117.00 110.44 2klo n LEU 99 Ca 0.05 -4.27 0.05 0.00 -0.00 0.00 0.00 56.01 51.84 2klo n LEU 99 Cb 0.48 0.76 0.28 0.00 -0.00 0.00 0.00 43.42 44.94 2klo n LEU 99 CO 0.32 2.11 0.62 -0.81 -0.00 0.00 0.00 177.39 179.63 2klo n PRO 100 N 0.98 0.17 0.00 1.47 -0.04 -1.15 -1.65 135.00 134.78 2klo n PRO 100 Ca 0.16 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2klo n PRO 100 Cb 0.62 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.20 2klo n PRO 100 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2klo n ASP 101 N -1.27 0.00 0.01 3.54 8.00 -1.26 -3.97 116.55 121.59 2klo n ASP 101 Ca 0.05 -0.08 -0.02 0.00 0.71 0.00 0.00 54.79 55.45 2klo n ASP 101 Cb 0.09 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.28 0.00 -3.77 1.24 -0.00 -0.66 -4.96 117.44 108.01 2klo n TRP 102 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.28 2klo n TRP 102 Cb 0.20 -0.13 -0.05 0.00 -0.00 0.00 0.00 31.31 31.33 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 -7.07 4.35 0.09 5.87 1.43 -1.21 -2.36 118.68 119.78 2klo s LEU 103 Ca -0.07 0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 2klo s LEU 103 Cb 0.01 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 2klo s LEU 103 CO 0.11 0.21 0.18 -0.44 0.23 0.00 0.00 176.35 176.64 2klo s SER 104 N -1.91 0.15 0.05 2.29 0.01 -0.36 -4.43 113.70 109.48 2klo s SER 104 Ca 0.31 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 56.91 2klo s SER 104 Cb -0.13 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 2klo s SER 104 CO 0.19 -0.73 -0.15 -1.48 0.41 0.00 0.00 173.24 171.48 2klo s LEU 105 N -2.88 2.20 -0.26 2.44 0.05 -1.26 -0.31 118.68 118.66 2klo s LEU 105 Ca 0.06 -0.50 -0.03 0.00 0.05 0.00 0.00 54.13 53.72 2klo s LEU 105 Cb 0.05 -0.61 0.09 0.00 -2.05 0.00 0.00 46.19 43.66 2klo s LEU 105 CO -0.10 0.02 0.09 -1.00 -0.55 0.00 0.00 176.35 174.81 2klo s HIS 106 N -0.94 0.87 -0.57 3.48 3.76 0.34 -4.97 115.29 117.26 2klo s HIS 106 Ca 0.01 -1.05 -0.27 0.00 -0.15 0.00 0.00 55.06 53.61 2klo s HIS 106 Cb -0.08 -1.14 0.03 0.00 1.11 0.00 0.00 32.58 32.50 2klo s HIS 106 CO 0.02 -0.75 1.12 0.50 -0.85 0.00 0.00 174.74 174.78 2klo s ARG 107 N 1.91 3.46 0.41 1.40 3.00 -1.26 -1.78 118.95 126.09 2klo s ARG 107 Ca 0.06 0.10 -0.08 0.00 -1.00 0.00 0.00 55.73 54.81 2klo s ARG 107 Cb -0.17 -4.03 -0.05 0.00 0.00 0.00 0.00 34.95 30.70 2klo s ARG 107 CO -0.23 -1.63 0.74 0.42 0.00 0.00 0.00 175.30 174.60 2klo s ILE 108 N 4.68 4.86 -1.66 4.11 -1.09 0.27 -4.96 121.20 127.41 2klo s ILE 108 Ca 0.39 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 2klo s ILE 108 Cb -0.09 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2klo s ILE 108 CO 0.24 -0.60 0.48 -2.11 -1.23 0.00 0.00 174.94 171.71 2klo n ARG 109 N -1.57 0.00 0.00 2.79 1.85 -1.26 -1.98 116.66 116.49 2klo n ARG 109 Ca 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2klo n ARG 109 Cb 0.54 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 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 -0.98 0.00 -3.62 8.89 5.66 -1.26 -5.14 114.28 117.83 2klo n THR 110 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2klo n THR 110 Cb 0.01 0.20 -0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.03 -0.03 -0.00 1.09 -1.08 -0.84 -5.18 116.67 109.60 2klo s ASP 111 Ca 0.00 -0.08 -0.00 0.00 -0.52 0.00 0.00 52.55 51.95 2klo s ASP 111 Cb 0.00 0.09 -0.04 0.00 -1.46 0.00 0.00 42.92 41.51 2klo s ASP 111 CO 0.00 -0.17 0.07 -0.89 0.52 0.00 0.00 175.17 174.70 2klo s THR 112 N -2.22 4.65 0.07 1.71 2.01 -1.26 -0.57 115.64 120.03 2klo s THR 112 Ca 0.16 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2klo s THR 112 Cb 0.06 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2klo s THR 112 CO -0.05 0.34 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.85 2klo s TYR 113 N -1.19 0.73 0.10 4.92 1.51 -0.73 -0.82 117.35 121.87 2klo s TYR 113 Ca 0.23 -0.81 0.08 0.00 -1.01 0.00 0.00 57.07 55.56 2klo s TYR 113 Cb -0.12 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 2klo s TYR 113 CO 0.14 -0.17 -0.17 0.08 -1.11 0.00 0.00 175.55 174.31 2klo s VAL 114 N -2.95 2.88 0.02 0.71 1.01 0.37 -0.51 120.40 121.93 2klo s VAL 114 Ca 0.04 -1.41 0.07 0.00 0.00 0.00 0.00 61.98 60.68 2klo s VAL 114 Cb 0.01 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2klo s VAL 114 CO -0.04 0.15 -0.22 -0.54 0.00 0.00 0.00 175.10 174.45 2klo s LYS 115 N -1.99 1.59 0.10 2.72 -0.14 0.58 -1.23 119.74 121.37 2klo s LYS 115 Ca 0.17 -0.91 0.02 0.00 -1.36 0.00 0.00 55.97 53.89 2klo s LYS 115 Cb -0.11 -1.66 -0.04 0.00 -1.68 0.00 0.00 37.83 34.35 2klo s LYS 115 CO 0.09 0.44 -0.07 -1.17 -0.76 0.00 0.00 175.35 173.87 2klo s LEU 116 N -0.96 2.49 -0.34 3.17 1.98 -0.72 -1.22 118.68 123.08 2klo s LEU 116 Ca 0.09 -0.96 0.03 0.00 -2.89 0.00 0.00 54.13 50.39 2klo s LEU 116 Cb -0.09 -0.14 0.10 0.00 0.66 0.00 0.00 46.19 46.72 2klo s LEU 116 CO 0.01 -0.41 0.08 -0.62 -1.89 0.00 0.00 176.35 173.51 2klo s ASP 117 N -2.92 4.54 0.33 3.68 -1.08 -1.00 -4.84 116.67 115.38 2klo s ASP 117 Ca 0.11 -2.08 0.26 0.00 -0.52 0.00 0.00 52.55 50.31 2klo s ASP 117 Cb 0.03 -1.43 1.14 0.00 -1.46 0.00 0.00 42.92 41.20 2klo s ASP 117 CO -0.03 -0.38 1.78 0.11 0.52 0.00 0.00 175.17 177.17 2klo h LYS 118 N 7.65 0.00 0.00 4.34 1.57 -1.93 -2.94 116.57 125.25 2klo h LYS 118 Ca -0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2klo h LYS 118 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2klo h LYS 118 CO 0.52 0.00 -0.29 0.00 -0.57 0.00 0.00 179.45 179.10 2klo h ALA 119 N 2.17 1.04 -2.56 3.86 0.00 -2.00 -3.44 119.26 118.33 2klo h ALA 119 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 2klo h ALA 119 Cb 0.32 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2klo h ALA 119 CO 0.00 0.36 0.55 0.08 0.00 0.00 0.00 179.25 180.24 2klo s VAL 120 N -3.69 3.88 -0.19 0.00 1.01 -1.11 -4.96 120.40 115.33 2klo s VAL 120 Ca -0.00 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 2klo s VAL 120 Cb 0.11 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2klo s VAL 120 CO 0.66 0.17 1.51 -1.81 0.00 0.00 0.00 175.10 175.62 2klo s ASP 121 N 0.63 6.58 0.50 3.32 1.01 -1.26 -4.90 116.67 122.55 2klo s ASP 121 Ca 0.56 1.67 0.16 0.00 0.71 0.00 0.00 52.55 55.65 2klo s ASP 121 Cb -0.30 -2.53 1.22 0.00 1.01 0.00 0.00 42.92 42.31 2klo s ASP 121 CO 0.32 -1.08 2.11 0.25 0.21 0.00 0.00 175.17 176.98 2klo h LEU 122 N 10.96 0.08 -1.10 1.23 7.12 -1.92 -1.42 115.31 130.24 2klo h LEU 122 Ca -0.32 -0.00 0.04 0.00 0.13 0.00 0.00 57.88 57.73 2klo h LEU 122 Cb 1.14 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 41.19 2klo h LEU 122 CO 0.99 0.06 0.61 0.00 -0.13 0.00 0.00 178.44 179.97 2klo h ALA 123 N 1.92 1.43 -0.17 1.25 0.00 -1.99 0.25 119.26 121.95 2klo h ALA 123 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2klo h ALA 123 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2klo h ALA 123 CO -0.01 0.46 -0.49 0.78 0.00 0.00 0.00 179.25 179.99 2klo h GLY 124 N 1.13 0.50 0.51 0.00 0.00 -1.67 -2.57 103.07 100.98 2klo h GLY 124 Ca 0.38 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2klo h GLY 124 CO -0.12 0.49 -0.00 1.41 0.00 0.00 0.00 176.54 178.32 2klo h LEU 125 N 0.37 -0.01 -0.87 3.11 3.38 -1.06 -2.69 115.31 117.54 2klo h LEU 125 Ca 0.02 -0.49 0.17 0.00 0.09 0.00 0.00 57.88 57.67 2klo h LEU 125 Cb 0.99 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 2klo h LEU 125 CO 0.09 0.49 0.43 0.74 0.09 0.00 0.00 178.44 180.27 2klo h THR 126 N -0.50 0.64 0.78 0.22 2.02 -0.54 0.12 112.91 115.64 2klo h THR 126 Ca -0.00 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 2klo h THR 126 Cb 0.50 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2klo h THR 126 CO 0.00 0.10 -0.37 0.00 0.37 0.00 0.00 175.52 175.62 2klo h ALA 127 N 1.61 -1.14 -0.75 6.16 0.00 -1.40 -0.48 119.26 123.26 2klo h ALA 127 Ca 0.50 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2klo h ALA 127 Cb 0.81 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2klo h ALA 127 CO -0.42 -1.07 0.49 0.07 0.00 0.00 0.00 179.25 178.33 2klo h ARG 128 N -1.17 0.77 0.53 0.00 0.11 -1.10 0.09 114.38 113.61 2klo h ARG 128 Ca -0.11 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.90 2klo h ARG 128 Cb 0.80 -0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.71 2klo h ARG 128 CO 0.18 0.51 -0.25 1.25 0.10 0.00 0.00 179.97 181.75 2klo h LEU 129 N 0.79 -0.60 -2.07 0.08 5.85 -0.74 -2.80 115.31 115.83 2klo h LEU 129 Ca 0.32 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2klo h LEU 129 Cb 0.25 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2klo h LEU 129 CO -0.11 -0.34 -0.06 0.00 -0.34 0.00 0.00 178.44 177.60 2klo h ALA 130 N -0.43 1.14 0.00 1.25 0.00 -0.70 -2.55 119.26 117.97 2klo h ALA 130 Ca -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2klo h ALA 130 Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2klo h ALA 130 CO 0.12 0.07 -0.21 0.45 0.00 0.00 0.00 179.25 179.68 2klo h HIS 131 N 0.00 0.00 -0.07 0.00 3.86 -0.71 -3.47 115.15 114.76 2klo h HIS 131 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2klo h HIS 131 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2klo h HIS 131 CO 0.00 0.21 -0.02 0.72 0.86 0.00 0.00 177.93 179.70 2klo n HIS 132 N -3.46 -0.01 -0.12 2.45 -0.00 -0.96 -4.85 115.22 108.27 2klo n HIS 132 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.82 2klo n HIS 132 Cb 0.39 -1.90 0.46 0.00 -0.00 0.00 0.00 29.99 28.94 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 0.92 -0.24 1.59 2.07 -1.88 -1.48 116.25 117.23 2klo h VAL 133 Ca -0.02 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2klo h VAL 133 Cb 0.89 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2klo h VAL 133 CO 0.04 0.09 0.00 1.57 0.02 0.00 0.00 177.57 179.29 2klo n HIS 134 N -4.48 0.31 -1.83 1.57 -0.00 -1.26 -5.02 115.22 104.51 2klo n HIS 134 Ca 0.11 -0.31 -0.29 0.00 -0.00 0.00 0.00 57.72 57.23 2klo n HIS 134 Cb 0.35 -0.02 0.10 0.00 -0.00 0.00 0.00 29.99 30.43 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 -1.00 2.45 0.00 1.57 0.00 -0.56 -4.85 121.76 119.37 2klo s ALA 135 Ca 0.21 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2klo s ALA 135 Cb 0.12 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2klo s ALA 135 CO 0.16 -1.85 0.00 -0.85 0.00 0.00 0.00 175.76 173.22 2klo n GLU 136 N -3.44 0.25 0.00 0.00 0.28 -1.26 -5.03 120.64 111.44 2klo n GLU 136 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2klo n GLU 136 Cb 0.61 -0.02 0.00 0.00 1.43 0.00 0.00 31.44 33.45 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 0.00 0.08 0.00 -1.84 0.00 -1.26 -5.28 105.19 96.89 2klo n GLY 137 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2klo n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36