#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LYS 2 N 0.00 0.00 0.00 0.03 0.00 -1.26 -4.52 118.16 112.41 3kno n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kno n LYS 2 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 3kno n LYS 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3kno n GLU 3 N 1.10 0.00 0.00 -1.58 1.02 -1.26 -3.32 120.64 116.59 3kno n GLU 3 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3kno n GLU 3 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 3kno n GLU 3 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3kno n VAL 4 N 0.00 0.00 -4.45 2.62 0.24 -1.24 -4.88 118.33 110.63 3kno n VAL 4 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3kno n VAL 4 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3kno n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kno s ALA 5 N 0.00 2.95 1.06 2.33 0.00 1.47 -4.90 121.76 124.67 3kno s ALA 5 Ca 0.00 -1.94 -0.17 0.00 0.00 0.00 0.00 51.96 49.84 3kno s ALA 5 Cb 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 23.12 22.96 3kno s ALA 5 CO 0.00 0.17 -0.03 0.28 0.00 0.00 0.00 175.76 176.18 3kno n VAL 6 N -0.77 0.00 -4.17 0.00 0.31 -1.26 -1.59 118.33 110.84 3kno n VAL 6 Ca -0.05 -0.15 -0.17 0.00 -0.01 0.00 0.00 64.34 63.96 3kno n VAL 6 Cb 0.61 -0.49 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 3kno n VAL 6 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3kno s TYR 7 N -2.14 1.36 -0.31 3.52 5.04 -1.26 -4.19 117.35 119.36 3kno s TYR 7 Ca 0.45 -1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 53.58 3kno s TYR 7 Cb -0.07 -0.36 0.19 0.00 0.35 0.00 0.00 41.96 42.08 3kno s TYR 7 CO 0.52 -1.02 0.90 -1.14 -1.34 0.00 0.00 175.55 173.47 3kno s GLN 8 N -3.23 0.31 0.00 4.97 2.00 -1.24 -4.42 119.66 118.05 3kno s GLN 8 Ca 0.35 0.15 0.00 0.00 -2.00 0.00 0.00 55.36 53.86 3kno s GLN 8 Cb 0.01 0.10 0.00 0.00 0.80 0.00 0.00 33.01 33.92 3kno s GLN 8 CO 0.23 -0.53 0.00 -0.89 -0.50 0.00 0.00 175.29 173.60 3kno n ILE 9 N 4.82 -1.66 0.29 -2.34 5.41 0.60 -3.46 119.36 123.02 3kno n ILE 9 Ca 0.08 0.38 0.14 0.00 1.00 0.00 0.00 62.75 64.34 3kno n ILE 9 Cb 0.58 -2.65 0.86 0.00 -0.71 0.00 0.00 39.64 37.72 3kno n ILE 9 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3kno h PRO 10 N 3.61 0.00 0.00 0.38 0.13 -1.85 -3.29 132.00 130.97 3kno h PRO 10 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kno h PRO 10 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3kno h PRO 10 CO 0.00 0.02 0.00 0.28 -0.23 0.00 0.00 178.00 178.07 3kno n VAL 11 N -3.88 0.00 0.00 1.56 0.31 -1.26 -4.94 118.33 110.12 3kno n VAL 11 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3kno n VAL 11 Cb 0.11 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3kno n VAL 11 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kno n LEU 12 N -0.04 0.00 -4.49 7.52 4.77 -1.26 -5.08 117.00 118.42 3kno n LEU 12 Ca 0.00 0.00 -0.57 0.00 -0.03 0.00 0.00 56.01 55.41 3kno n LEU 12 Cb 0.00 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3kno n LEU 12 CO 0.00 -0.09 1.60 -1.20 -1.33 0.00 0.00 177.39 176.37 3kno n SER 13 N -1.45 1.75 -2.82 -1.43 7.64 -1.26 -4.48 113.62 111.57 3kno n SER 13 Ca 0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3kno n SER 13 Cb 0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3kno n SER 13 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kno n PRO 14 N 6.89 2.13 -1.55 1.43 -0.02 -1.26 -0.29 135.00 142.33 3kno n PRO 14 Ca 0.40 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 3kno n PRO 14 Cb 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.54 3kno n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kno n SER 15 N 0.00 2.47 0.00 2.55 3.41 -1.26 -3.53 113.62 117.25 3kno n SER 15 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3kno n SER 15 Cb 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.46 3kno n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kno n GLY 16 N 6.03 0.55 3.17 5.00 0.00 -1.26 -4.85 105.19 113.84 3kno n GLY 16 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 3kno n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kno n ARG 17 N 0.00 0.41 0.00 1.61 0.63 -1.26 -4.26 116.66 113.79 3kno n ARG 17 Ca 0.00 -1.02 0.00 0.00 -0.92 0.00 0.00 57.85 55.91 3kno n ARG 17 Cb 0.00 1.45 0.00 0.00 0.45 0.00 0.00 32.46 34.36 3kno n ARG 17 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3kno n ARG 18 N -0.64 -1.71 -0.81 -0.14 3.00 -0.62 -4.76 116.66 110.98 3kno n ARG 18 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3kno n ARG 18 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 3kno n ARG 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3kno n GLU 19 N -0.64 0.00 -3.86 -0.14 0.00 -1.26 0.43 120.64 115.17 3kno n GLU 19 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 3kno n GLU 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 3kno n GLU 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3kno n LEU 20 N 0.00 0.00 0.00 -1.84 7.94 -1.26 -4.98 117.00 116.86 3kno n LEU 20 Ca 0.00 -0.64 0.00 0.00 -1.11 0.00 0.00 56.01 54.26 3kno n LEU 20 Cb 0.00 2.00 0.00 0.00 0.53 0.00 0.00 43.42 45.95 3kno n LEU 20 CO 0.00 -0.21 0.00 0.00 -1.11 0.00 0.00 177.39 176.07 3kno n ALA 21 N -1.00 0.00 0.32 1.96 0.00 -1.26 -4.30 120.51 116.24 3kno n ALA 21 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3kno n ALA 21 Cb 0.55 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.68 3kno n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno h ALA 22 N -2.28 1.49 -0.01 0.00 0.00 -2.00 -0.28 119.26 116.19 3kno h ALA 22 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kno h ALA 22 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3kno h ALA 22 CO 0.00 -0.47 -0.53 0.38 0.00 0.00 0.00 179.25 178.62 3kno h ASP 23 N 0.00 -1.65 -2.19 0.00 2.03 -1.96 -3.17 116.42 109.48 3kno h ASP 23 Ca 0.01 0.19 -0.56 0.00 -0.73 0.00 0.00 57.03 55.94 3kno h ASP 23 Cb 0.93 0.63 0.22 0.00 -0.83 0.00 0.00 39.33 40.28 3kno h ASP 23 CO -0.00 -0.52 -1.51 0.18 -1.03 0.00 0.00 179.24 176.36 3kno n LEU 24 N -5.46 -4.60 0.00 0.15 7.99 -0.12 -3.30 117.00 111.66 3kno n LEU 24 Ca -0.07 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 3kno n LEU 24 Cb 0.40 -0.85 0.00 0.00 -0.11 0.00 0.00 43.42 42.86 3kno n LEU 24 CO 0.12 -5.39 0.00 -2.65 -1.51 0.00 0.00 177.39 167.97 3kno n PRO 25 N 1.73 0.00 0.00 3.23 -0.02 -1.21 -4.73 135.00 134.00 3kno n PRO 25 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3kno n PRO 25 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3kno n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kno n ALA 26 N 0.00 0.00 -2.01 3.55 0.00 -1.20 -4.46 120.51 116.39 3kno n ALA 26 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3kno n ALA 26 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3kno n ALA 26 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kno n GLU 27 N 0.00 0.00 0.00 0.00 0.28 -1.26 -4.83 120.64 114.83 3kno n GLU 27 Ca 0.00 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.77 3kno n GLU 27 Cb 0.00 0.02 0.00 0.00 1.43 0.00 0.00 31.44 32.89 3kno n GLU 27 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3kno n ILE 28 N 0.01 0.00 -2.55 3.84 -6.64 -1.26 -4.80 119.36 107.95 3kno n ILE 28 Ca -0.03 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.53 3kno n ILE 28 Cb 0.55 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.72 3kno n ILE 28 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 3kno s ASN 29 N 0.00 6.39 0.16 7.28 0.01 -1.26 -4.91 114.94 122.60 3kno s ASN 29 Ca 0.00 0.10 -0.22 0.00 -0.71 0.00 0.00 52.86 52.03 3kno s ASN 29 Cb 0.00 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.15 3kno s ASN 29 CO 0.00 -1.53 1.62 -0.65 -1.51 0.00 0.00 177.10 175.03 3kno h PRO 30 N 9.77 -0.22 -0.10 -0.60 0.11 -2.01 -1.68 132.00 137.27 3kno h PRO 30 Ca -0.25 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.90 3kno h PRO 30 Cb 1.06 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kno h PRO 30 CO 1.19 -0.15 0.08 1.25 -0.21 0.00 0.00 178.00 180.17 3kno h HIS 31 N -0.23 0.00 0.02 0.65 -0.00 -2.00 -2.21 115.15 111.39 3kno h HIS 31 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.32 3kno h HIS 31 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.90 3kno h HIS 31 CO -0.43 0.00 -0.82 1.25 -0.00 0.00 0.00 177.93 177.93 3kno h LEU 32 N 0.00 0.68 -1.35 0.26 6.46 -1.72 -2.59 115.31 117.04 3kno h LEU 32 Ca 0.05 -0.78 -0.04 0.00 -0.12 0.00 0.00 57.88 56.99 3kno h LEU 32 Cb 0.21 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3kno h LEU 32 CO -0.00 1.37 -0.00 -0.07 -0.62 0.00 0.00 178.44 179.12 3kno h LEU 33 N 0.06 0.39 -0.04 2.25 4.07 -1.13 -1.68 115.31 119.23 3kno h LEU 33 Ca -0.11 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 57.80 3kno h LEU 33 Cb 1.52 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 43.14 3kno h LEU 33 CO 0.16 0.46 -0.04 -0.25 -1.08 0.00 0.00 178.44 177.69 3kno h TRP 34 N 0.41 -0.11 0.00 1.13 7.01 -1.37 -2.14 115.95 120.89 3kno h TRP 34 Ca 0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3kno h TRP 34 Cb 0.28 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3kno h TRP 34 CO 0.01 -0.07 0.00 0.39 -2.79 0.00 0.00 178.44 175.98 3kno n GLU 35 N -5.16 0.12 -0.08 2.65 1.02 -0.67 -0.65 120.64 117.87 3kno n GLU 35 Ca -0.06 0.56 -0.22 0.00 -0.02 0.00 0.00 57.16 57.43 3kno n GLU 35 Cb 0.09 -1.85 -0.12 0.00 -0.02 0.00 0.00 31.44 29.54 3kno n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kno n VAL 36 N -2.09 1.62 -0.09 2.62 0.31 -0.84 -3.36 118.33 116.50 3kno n VAL 36 Ca -0.00 -0.48 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 3kno n VAL 36 Cb 0.07 -1.71 0.01 0.00 -0.91 0.00 0.00 33.84 31.30 3kno n VAL 36 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3kno h VAL 37 N -0.29 1.28 -0.84 2.52 -1.51 -1.26 -0.65 116.25 115.50 3kno h VAL 37 Ca -0.50 -1.57 0.12 0.00 -1.23 0.00 0.00 66.70 63.52 3kno h VAL 37 Cb 1.81 1.43 -0.08 0.00 -2.13 0.00 0.00 31.29 32.32 3kno h VAL 37 CO -0.09 0.52 0.46 -0.09 -1.23 0.00 0.00 177.57 177.13 3kno h ARG 38 N 0.68 0.69 0.29 5.19 2.43 -1.06 0.31 114.38 122.91 3kno h ARG 38 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3kno h ARG 38 Cb 0.97 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3kno h ARG 38 CO 0.09 0.45 -0.14 2.35 -1.51 0.00 0.00 179.97 181.22 3kno h TRP 39 N 0.71 -0.36 -0.83 2.20 7.01 -1.46 -2.31 115.95 120.91 3kno h TRP 39 Ca 0.44 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.61 3kno h TRP 39 Cb 0.53 0.12 -0.15 0.00 -2.10 0.00 0.00 29.16 27.55 3kno h TRP 39 CO -0.07 -0.22 -0.14 1.96 -2.79 0.00 0.00 178.44 177.17 3kno h GLN 40 N -0.39 0.02 -0.63 2.65 4.20 -0.23 0.24 115.11 120.96 3kno h GLN 40 Ca -0.04 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3kno h GLN 40 Cb 0.30 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3kno h GLN 40 CO 0.06 0.01 0.23 -0.07 -0.67 0.00 0.00 178.83 178.40 3kno h LEU 41 N 0.02 0.86 0.32 1.46 3.38 -0.44 -1.55 115.31 119.37 3kno h LEU 41 Ca 0.42 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3kno h LEU 41 Cb 0.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kno h LEU 41 CO -0.82 0.79 -0.15 0.00 0.09 0.00 0.00 178.44 178.35 3kno h ALA 42 N 1.33 -0.42 -0.89 1.53 0.00 -0.37 -2.97 119.26 117.47 3kno h ALA 42 Ca 0.21 -0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.26 3kno h ALA 42 Cb 0.22 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kno h ALA 42 CO -0.01 -0.41 0.70 1.57 0.00 0.00 0.00 179.25 181.10 3kno h LYS 43 N -1.09 0.00 0.00 0.00 2.10 -0.63 1.95 116.57 118.90 3kno h LYS 43 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3kno h LYS 43 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3kno h LYS 43 CO 0.07 0.00 -0.24 2.89 -2.00 0.00 0.00 179.45 180.17 3kno n ARG 44 N -4.05 0.25 -1.99 0.07 1.85 -0.59 -4.80 116.66 107.40 3kno n ARG 44 Ca 0.18 0.15 -0.41 0.00 -1.00 0.00 0.00 57.85 56.77 3kno n ARG 44 Cb 1.01 -1.73 -0.02 0.00 -1.05 0.00 0.00 32.46 30.67 3kno n ARG 44 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kno s ARG 45 N -3.11 4.25 0.33 2.89 3.52 0.66 -5.02 118.95 122.47 3kno s ARG 45 Ca 0.09 2.32 -0.17 0.00 -0.13 0.00 0.00 55.73 57.84 3kno s ARG 45 Cb 0.13 -3.11 -0.09 0.00 -1.56 0.00 0.00 34.95 30.32 3kno s ARG 45 CO 0.64 -0.45 0.78 0.50 -0.81 0.00 0.00 175.30 175.96 3kno s ARG 46 N -0.20 4.09 0.00 5.12 6.06 -1.26 -4.65 118.95 128.11 3kno s ARG 46 Ca 0.61 0.79 0.19 0.00 -2.50 0.00 0.00 55.73 54.82 3kno s ARG 46 Cb -0.42 -2.44 -0.19 0.00 0.06 0.00 0.00 34.95 31.95 3kno s ARG 46 CO 0.42 0.15 0.81 0.41 -2.50 0.00 0.00 175.30 174.59 3kno n GLY 47 N -0.28 -0.73 0.12 8.12 0.00 -1.26 -4.79 105.19 106.38 3kno n GLY 47 Ca 0.03 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.61 3kno n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kno n THR 48 N -1.36 0.00 -1.62 2.61 -2.24 -1.26 -3.74 114.28 106.66 3kno n THR 48 Ca 0.04 0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.65 3kno n THR 48 Cb 0.30 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 3kno n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kno s ALA 49 N -3.22 2.56 0.03 6.98 0.00 -1.26 -4.72 121.76 122.13 3kno s ALA 49 Ca -0.01 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.63 3kno s ALA 49 Cb 0.04 -4.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 3kno s ALA 49 CO 0.14 -3.05 -0.12 0.45 0.00 0.00 0.00 175.76 173.18 3kno s SER 50 N 8.81 1.43 0.12 0.00 0.15 -1.25 -2.74 113.70 120.22 3kno s SER 50 Ca 0.99 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.24 3kno s SER 50 Cb -0.30 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 3kno s SER 50 CO 0.34 0.00 -0.07 0.42 1.20 0.00 0.00 173.24 175.13 3kno s THR 51 N -0.84 0.86 -0.18 6.45 -4.23 0.05 -4.95 115.64 112.80 3kno s THR 51 Ca -0.00 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 3kno s THR 51 Cb -0.07 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 3kno s THR 51 CO 0.01 -0.78 0.29 -0.54 -0.54 0.00 0.00 174.62 173.05 3kno s LYS 52 N -3.81 4.22 0.69 3.99 1.02 -1.26 -4.89 119.74 119.70 3kno s LYS 52 Ca 0.15 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 56.08 3kno s LYS 52 Cb 0.04 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3kno s LYS 52 CO -0.02 0.17 1.07 -0.08 -0.92 0.00 0.00 175.35 175.56 3kno s THR 53 N 0.70 3.93 -1.12 2.17 -1.32 -1.26 -1.85 115.64 116.88 3kno s THR 53 Ca 0.15 0.63 0.00 0.00 -1.21 0.00 0.00 61.69 61.26 3kno s THR 53 Cb -0.13 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 3kno s THR 53 CO 0.04 -0.82 0.44 -2.11 -2.21 0.00 0.00 174.62 169.97 3kno n ARG 54 N -3.03 0.00 -0.00 7.08 1.85 -1.26 0.24 116.66 121.54 3kno n ARG 54 Ca 0.07 0.08 0.05 0.00 -1.00 0.00 0.00 57.85 57.05 3kno n ARG 54 Cb 0.55 -1.54 -0.08 0.00 -1.05 0.00 0.00 32.46 30.34 3kno n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kno n GLY 55 N -0.94 -0.32 0.00 2.89 0.00 -1.26 -4.55 105.19 101.00 3kno n GLY 55 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.83 3kno n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kno n GLU 56 N -1.65 1.26 -2.26 1.61 1.02 0.14 -4.89 120.64 115.87 3kno n GLU 56 Ca -0.01 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 3kno n GLU 56 Cb 0.24 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3kno n GLU 56 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kno s VAL 57 N -2.65 3.53 0.00 2.62 0.11 -1.01 -4.84 120.40 118.16 3kno s VAL 57 Ca 0.06 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 3kno s VAL 57 Cb 0.13 -4.34 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 3kno s VAL 57 CO 0.71 -1.28 0.00 0.00 -3.33 0.00 0.00 175.10 171.20 3kno n ALA 58 N 11.22 0.00 -2.57 1.54 0.00 -1.26 -4.81 120.51 124.62 3kno n ALA 58 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 3kno n ALA 58 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 3kno n ALA 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kno s TYR 59 N 0.05 1.81 1.06 0.00 1.51 -1.26 -5.16 117.35 115.35 3kno s TYR 59 Ca 0.00 -1.21 -0.18 0.00 -1.01 0.00 0.00 57.07 54.67 3kno s TYR 59 Cb 0.00 -1.26 0.24 0.00 -0.11 0.00 0.00 41.96 40.83 3kno s TYR 59 CO 0.00 -0.18 1.28 0.45 -1.11 0.00 0.00 175.55 175.99 3kno s SER 60 N -3.67 2.27 -0.23 2.29 0.15 -1.26 -5.01 113.70 108.24 3kno s SER 60 Ca 0.20 0.28 0.04 0.00 0.70 0.00 0.00 55.95 57.17 3kno s SER 60 Cb 0.02 -0.30 -0.17 0.00 -1.71 0.00 0.00 66.02 63.86 3kno s SER 60 CO 0.12 -3.26 -0.17 0.61 1.20 0.00 0.00 173.24 171.74 3kno n GLY 61 N -3.04 -0.42 0.00 9.45 0.00 -1.26 -4.74 105.19 105.18 3kno n GLY 61 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kno n GLY 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kno n ARG 62 N -3.12 0.00 -2.38 1.61 0.63 -1.26 -4.13 116.66 108.01 3kno n ARG 62 Ca -0.40 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.11 3kno n ARG 62 Cb 0.98 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.86 3kno n ARG 62 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3kno s LYS 63 N 0.00 4.38 0.46 -0.14 2.20 -1.26 -4.20 119.74 121.17 3kno s LYS 63 Ca 0.00 1.80 0.31 0.00 -0.36 0.00 0.00 55.97 57.72 3kno s LYS 63 Cb 0.00 -3.44 1.38 0.00 -1.51 0.00 0.00 37.83 34.27 3kno s LYS 63 CO 0.00 -0.38 1.93 -0.84 -0.36 0.00 0.00 175.35 175.70 3kno h ILE 64 N 4.70 0.00 -3.40 5.43 3.07 -1.38 -3.46 117.51 122.47 3kno h ILE 64 Ca -0.39 -0.31 -0.44 0.00 1.55 0.00 0.00 64.86 65.27 3kno h ILE 64 Cb 1.19 1.19 -0.14 0.00 -0.27 0.00 0.00 36.82 38.79 3kno h ILE 64 CO 0.85 0.00 -0.57 0.26 -1.05 0.00 0.00 178.15 177.64 3kno s TRP 65 N -3.62 1.70 0.15 0.16 0.51 -1.26 -5.03 118.94 111.55 3kno s TRP 65 Ca 0.01 -1.22 0.23 0.00 -2.12 0.00 0.00 56.10 53.00 3kno s TRP 65 Cb 0.09 -1.02 0.88 0.00 -0.81 0.00 0.00 33.47 32.61 3kno s TRP 65 CO 0.45 -0.32 1.81 -1.35 -0.51 0.00 0.00 176.95 177.03 3kno h PRO 66 N 2.15 0.00 0.00 4.98 0.11 -1.95 -3.47 132.00 133.81 3kno h PRO 66 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kno h PRO 66 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kno h PRO 66 CO 0.59 0.26 0.00 0.94 -0.21 0.00 0.00 178.00 179.57 3kno n GLN 67 N -3.43 0.00 -0.01 1.05 -0.06 -1.26 -4.81 117.38 108.85 3kno n GLN 67 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 3kno n GLN 67 Cb 0.44 -0.49 -0.01 0.00 -4.06 0.00 0.00 30.24 26.12 3kno n GLN 67 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3kno n LYS 68 N -1.36 0.07 -2.38 3.69 3.00 -1.26 -4.84 118.16 115.08 3kno n LYS 68 Ca 0.00 0.03 -0.28 0.00 -0.00 0.00 0.00 58.31 58.06 3kno n LYS 68 Cb 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 35.03 34.42 3kno n LYS 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kno n HIS 69 N -3.19 3.32 -0.08 5.64 8.25 -1.26 -4.66 115.22 123.24 3kno n HIS 69 Ca -0.06 -2.97 -0.06 0.00 -0.26 0.00 0.00 57.72 54.37 3kno n HIS 69 Cb 0.50 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 31.23 3kno n HIS 69 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kno n THR 70 N -0.51 1.16 -0.78 1.59 -2.24 -1.26 -4.97 114.28 107.26 3kno n THR 70 Ca 0.41 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3kno n THR 70 Cb 0.65 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3kno n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kno n GLY 71 N 1.65 0.55 3.58 3.38 0.00 -1.26 -5.05 105.19 108.04 3kno n GLY 71 Ca -0.27 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3kno n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kno s ARG 72 N -1.05 2.07 0.84 1.61 1.81 -1.26 -5.11 118.95 117.86 3kno s ARG 72 Ca 0.00 -1.53 -0.12 0.00 -1.72 0.00 0.00 55.73 52.36 3kno s ARG 72 Cb 0.00 -2.03 0.10 0.00 -0.45 0.00 0.00 34.95 32.57 3kno s ARG 72 CO 0.00 0.36 1.19 0.00 -0.68 0.00 0.00 175.30 176.17 3kno n ALA 73 N -0.73 -0.23 -1.80 2.13 0.00 -1.26 -4.94 120.51 113.67 3kno n ALA 73 Ca -0.06 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 3kno n ALA 73 Cb 0.59 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3kno n ALA 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3kno s ARG 74 N -4.26 4.31 0.17 0.00 1.70 -1.26 -4.97 118.95 114.64 3kno s ARG 74 Ca 0.72 1.23 -0.11 0.00 -0.47 0.00 0.00 55.73 57.10 3kno s ARG 74 Cb -0.28 -2.40 0.00 0.00 -0.57 0.00 0.00 34.95 31.71 3kno s ARG 74 CO 0.53 0.03 0.35 -1.01 -1.08 0.00 0.00 175.30 174.11 3kno s HIS 75 N -1.95 0.25 0.00 5.89 3.76 -1.26 -5.12 115.29 116.85 3kno s HIS 75 Ca 0.58 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 3kno s HIS 75 Cb -0.14 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.62 3kno s HIS 75 CO 0.18 -0.77 0.00 0.41 -0.85 0.00 0.00 174.74 173.71 3kno n GLY 76 N -0.24 0.74 3.93 -2.22 0.00 -1.26 -4.56 105.19 101.57 3kno n GLY 76 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 3kno n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kno s ASP 77 N -0.53 6.06 0.00 1.61 -4.77 -1.26 -1.16 116.67 116.62 3kno s ASP 77 Ca 0.00 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 3kno s ASP 77 Cb 0.00 -1.68 0.00 0.00 -1.09 0.00 0.00 42.92 40.15 3kno s ASP 77 CO 0.00 -0.09 0.89 2.30 0.70 0.00 0.00 175.17 178.96 3kno n ILE 78 N -1.36 0.89 -0.03 2.11 -0.00 -1.26 -2.44 119.36 117.25 3kno n ILE 78 Ca -0.08 -0.13 0.03 0.00 -0.00 0.00 0.00 62.75 62.58 3kno n ILE 78 Cb 0.57 -1.02 -0.14 0.00 -0.00 0.00 0.00 39.64 39.05 3kno n ILE 78 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kno n GLY 79 N 1.09 -0.86 3.65 3.28 0.00 -1.26 -3.52 105.19 107.58 3kno n GLY 79 Ca 0.00 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.17 3kno n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 80 N -2.32 0.80 0.33 4.61 0.00 -1.02 -1.29 120.51 121.63 3kno n ALA 80 Ca -0.12 0.43 0.13 0.00 0.00 0.00 0.00 53.44 53.89 3kno n ALA 80 Cb 0.68 -2.25 0.72 0.00 0.00 0.00 0.00 19.45 18.61 3kno n ALA 80 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kno h PRO 81 N 4.44 0.00 -0.83 0.00 0.13 -1.92 -0.97 132.00 132.86 3kno h PRO 81 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3kno h PRO 81 Cb 1.28 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 3kno h PRO 81 CO 0.77 0.00 0.14 0.44 -0.23 0.00 0.00 178.00 179.12 3kno n ILE 82 N -2.83 1.94 0.76 -3.56 -5.35 -1.26 -4.29 119.36 104.77 3kno n ILE 82 Ca -0.02 -0.97 0.08 0.00 -0.27 0.00 0.00 62.75 61.57 3kno n ILE 82 Cb 0.45 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 3kno n ILE 82 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3kno n PHE 83 N 0.08 0.00 0.00 4.28 0.99 -0.37 -4.97 117.46 117.47 3kno n PHE 83 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 3kno n PHE 83 Cb 0.97 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.45 3kno n PHE 83 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3kno n VAL 84 N -0.03 0.00 -0.04 -4.37 0.31 -1.26 -4.39 118.33 108.55 3kno n VAL 84 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.35 3kno n VAL 84 Cb 0.37 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.25 3kno n VAL 84 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kno n GLY 85 N -1.48 -0.19 0.00 2.92 0.00 -1.26 -5.06 105.19 100.12 3kno n GLY 85 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kno n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 86 N 2.93 -1.03 3.92 -0.02 0.00 -1.23 -5.00 105.19 104.76 3kno n GLY 86 Ca -0.14 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 3kno n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kno s GLY 87 N -0.45 1.51 -0.07 -0.02 0.00 -0.41 -4.92 107.32 102.95 3kno s GLY 87 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 3kno s GLY 87 CO 0.00 -0.53 0.38 0.54 0.00 0.00 0.00 173.10 173.49 3kno s VAL 88 N -2.69 5.16 0.00 1.40 0.11 -0.77 -3.63 120.40 119.97 3kno s VAL 88 Ca 0.48 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.28 3kno s VAL 88 Cb -0.10 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 3kno s VAL 88 CO 0.42 0.48 0.00 0.52 -3.33 0.00 0.00 175.10 173.20 3kno n VAL 89 N 2.62 0.00 -0.81 2.04 0.31 -1.26 -4.19 118.33 117.04 3kno n VAL 89 Ca -0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.94 3kno n VAL 89 Cb 0.52 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 3kno n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kno n PHE 90 N 0.00 1.43 -2.37 3.52 3.72 -1.26 -4.86 117.46 117.64 3kno n PHE 90 Ca 0.00 -1.86 -0.29 0.00 -0.05 0.00 0.00 57.45 55.25 3kno n PHE 90 Cb 0.00 -1.63 -0.00 0.00 -0.94 0.00 0.00 39.48 36.91 3kno n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kno s GLY 91 N 3.89 1.61 0.27 1.37 0.00 -1.26 -5.01 107.32 108.19 3kno s GLY 91 Ca 0.42 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 3kno s GLY 91 CO 0.01 -0.10 1.45 -1.55 0.00 0.00 0.00 173.10 172.91 3kno n PRO 92 N -2.33 2.26 -4.42 2.90 -0.04 -1.26 -4.81 135.00 127.30 3kno n PRO 92 Ca 0.03 0.80 -0.21 0.00 -0.04 0.00 0.00 63.50 64.08 3kno n PRO 92 Cb 0.55 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.36 3kno n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3kno s LYS 93 N -0.63 1.06 0.07 0.54 -0.14 -1.19 -0.77 119.74 118.68 3kno s LYS 93 Ca 0.65 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 54.65 3kno s LYS 93 Cb -0.59 -0.97 -0.16 0.00 -1.68 0.00 0.00 37.83 34.43 3kno s LYS 93 CO 0.51 0.10 0.71 -0.35 -0.76 0.00 0.00 175.35 175.56 3kno n PRO 94 N 3.37 0.00 -3.61 -1.68 -0.04 -1.11 -4.90 135.00 127.03 3kno n PRO 94 Ca -0.19 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.13 3kno n PRO 94 Cb 0.54 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 3kno n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kno s ARG 95 N -0.33 0.81 -0.61 0.54 1.70 -1.25 -5.03 118.95 114.78 3kno s ARG 95 Ca 0.67 0.81 -0.26 0.00 -0.47 0.00 0.00 55.73 56.48 3kno s ARG 95 Cb -0.94 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 33.79 3kno s ARG 95 CO 0.47 -0.13 2.04 0.34 -1.08 0.00 0.00 175.30 176.94 3kno s ASP 96 N 0.10 4.98 0.00 -2.89 -1.08 -1.26 -4.35 116.67 112.17 3kno s ASP 96 Ca -0.01 0.43 0.22 0.00 -0.52 0.00 0.00 52.55 52.67 3kno s ASP 96 Cb -0.04 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 40.02 3kno s ASP 96 CO 0.01 -2.61 1.71 -1.22 0.52 0.00 0.00 175.17 173.59 3kno n TYR 97 N 13.94 0.00 -1.09 -5.34 4.01 -1.26 -4.84 117.16 122.59 3kno n TYR 97 Ca 0.27 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.88 3kno n TYR 97 Cb 0.52 -0.26 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 3kno n TYR 97 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kno n SER 98 N -1.26 -0.74 0.00 7.72 3.41 -1.26 -4.52 113.62 116.96 3kno n SER 98 Ca 0.11 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3kno n SER 98 Cb 0.17 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3kno n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kno n TYR 99 N -3.23 0.00 -3.89 7.33 4.11 -1.26 -4.96 117.16 115.26 3kno n TYR 99 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.62 3kno n TYR 99 Cb 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.52 3kno n TYR 99 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3kno s THR 100 N -2.00 4.96 0.02 -3.48 -4.23 -1.26 -4.92 115.64 104.73 3kno s THR 100 Ca 0.00 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 3kno s THR 100 Cb 0.00 -3.26 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 3kno s THR 100 CO 0.00 0.43 0.43 -0.22 -0.54 0.00 0.00 174.62 174.72 3kno s LEU 101 N 0.56 4.46 -0.17 4.79 2.96 -1.26 -5.01 118.68 125.01 3kno s LEU 101 Ca 0.05 0.98 -0.42 0.00 -0.22 0.00 0.00 54.13 54.52 3kno s LEU 101 Cb -0.12 -2.69 -0.20 0.00 0.50 0.00 0.00 46.19 43.68 3kno s LEU 101 CO 0.01 0.30 1.24 -2.65 -1.32 0.00 0.00 176.35 173.92 3kno n PRO 102 N 1.67 0.00 -0.31 0.98 -0.02 -1.26 -4.69 135.00 131.37 3kno n PRO 102 Ca -0.13 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.45 3kno n PRO 102 Cb 0.52 -1.48 0.27 0.00 -0.02 0.00 0.00 33.50 32.79 3kno n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kno h LYS 103 N 3.64 0.56 0.62 -0.52 1.57 -1.98 0.34 116.57 120.81 3kno h LYS 103 Ca -0.48 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 3kno h LYS 103 Cb 1.39 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.58 3kno h LYS 103 CO 0.75 0.37 -0.30 0.87 -0.57 0.00 0.00 179.45 180.58 3kno h LYS 104 N 0.58 -0.80 -0.18 3.15 1.57 -1.99 -1.55 116.57 117.34 3kno h LYS 104 Ca 0.52 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.40 3kno h LYS 104 Cb 0.83 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3kno h LYS 104 CO -0.42 -0.53 0.17 0.28 -0.57 0.00 0.00 179.45 178.38 3kno h VAL 105 N -0.84 0.64 0.00 0.50 2.07 -1.48 0.89 116.25 118.02 3kno h VAL 105 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3kno h VAL 105 Cb 0.64 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3kno h VAL 105 CO 0.14 0.00 -0.12 0.03 0.02 0.00 0.00 177.57 177.64 3kno h ARG 106 N 0.00 0.00 0.00 1.57 3.08 0.32 -2.86 114.38 116.49 3kno h ARG 106 Ca 0.09 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.78 3kno h ARG 106 Cb 0.42 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 3kno h ARG 106 CO -0.00 0.12 -2.36 1.63 -1.07 0.00 0.00 179.97 178.28 3kno n LYS 107 N -3.18 0.64 -0.21 0.04 5.02 0.12 -3.53 118.16 117.06 3kno n LYS 107 Ca 0.02 0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.44 3kno n LYS 107 Cb 0.47 -1.48 0.26 0.00 -0.02 0.00 0.00 35.03 34.26 3kno n LYS 107 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3kno h LYS 108 N 0.00 0.95 0.03 1.97 1.79 0.46 -1.18 116.57 120.59 3kno h LYS 108 Ca -0.54 -0.06 -0.21 0.00 -2.18 0.00 0.00 60.65 57.67 3kno h LYS 108 Cb 1.88 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 32.30 3kno h LYS 108 CO -0.07 0.63 -0.97 0.78 -1.08 0.00 0.00 179.45 178.73 3kno h GLY 109 N 0.98 0.14 0.96 3.86 0.00 -1.71 0.34 103.07 107.63 3kno h GLY 109 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kno h GLY 109 CO -0.07 0.25 0.14 -2.00 0.00 0.00 0.00 176.54 174.87 3kno h LEU 110 N 0.05 0.32 -0.01 3.11 7.12 -1.36 0.11 115.31 124.64 3kno h LEU 110 Ca -0.05 -0.08 -0.13 0.00 0.13 0.00 0.00 57.88 57.75 3kno h LEU 110 Cb 1.66 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 41.72 3kno h LEU 110 CO 0.14 0.30 -0.52 0.00 -0.13 0.00 0.00 178.44 178.24 3kno h ALA 111 N 1.03 0.08 -1.00 1.25 0.00 -1.31 -2.97 119.26 116.34 3kno h ALA 111 Ca 0.09 -0.54 0.40 0.00 0.00 0.00 0.00 54.91 54.86 3kno h ALA 111 Cb 0.05 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.69 3kno h ALA 111 CO -0.02 0.30 0.49 1.98 0.00 0.00 0.00 179.25 182.01 3kno h MET 112 N -0.16 0.01 0.16 0.00 4.05 0.05 0.15 114.93 119.20 3kno h MET 112 Ca -0.06 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 3kno h MET 112 Cb 1.23 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 3kno h MET 112 CO 0.10 0.00 -0.08 0.00 0.23 0.00 0.00 176.91 177.17 3kno h ALA 113 N 2.00 -0.22 -0.98 0.39 0.00 -0.77 -3.02 119.26 116.65 3kno h ALA 113 Ca 0.82 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.96 3kno h ALA 113 Cb 2.14 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.84 3kno h ALA 113 CO -0.78 -0.22 0.21 0.28 0.00 0.00 0.00 179.25 178.75 3kno h VAL 114 N -1.04 0.04 0.00 0.00 2.07 -1.00 0.37 116.25 116.69 3kno h VAL 114 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kno h VAL 114 Cb 0.26 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3kno h VAL 114 CO 0.04 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3kno n ALA 115 N -2.82 -0.15 -0.46 1.67 0.00 0.40 -1.32 120.51 117.83 3kno n ALA 115 Ca 0.28 0.00 0.41 0.00 0.00 0.00 0.00 53.44 54.13 3kno n ALA 115 Cb 0.92 0.20 0.77 0.00 0.00 0.00 0.00 19.45 21.33 3kno n ALA 115 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3kno h ASP 116 N 0.00 0.02 -0.35 0.00 3.58 -0.88 0.61 116.42 119.41 3kno h ASP 116 Ca 0.00 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 3kno h ASP 116 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3kno h ASP 116 CO 0.00 -0.00 -0.13 -0.09 -2.88 0.00 0.00 179.24 176.14 3kno h ARG 117 N 0.01 0.70 0.00 0.28 9.65 -0.03 -3.17 114.38 121.82 3kno h ARG 117 Ca 0.70 -0.29 -0.17 0.00 -1.10 0.00 0.00 59.98 59.13 3kno h ARG 117 Cb 2.77 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 31.30 3kno h ARG 117 CO -0.03 0.88 -0.94 0.00 2.80 0.00 0.00 179.97 182.68 3kno h ALA 118 N 0.80 0.59 0.00 2.80 0.00 0.14 -3.02 119.26 120.55 3kno h ALA 118 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3kno h ALA 118 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kno h ALA 118 CO 0.04 0.96 0.00 -2.13 0.00 0.00 0.00 179.25 178.12 3kno n ARG 119 N -3.18 0.02 -0.06 0.00 0.63 0.81 0.22 116.66 115.10 3kno n ARG 119 Ca -0.03 0.36 0.02 0.00 -0.92 0.00 0.00 57.85 57.28 3kno n ARG 119 Cb 0.85 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 32.31 3kno n ARG 119 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kno n GLU 120 N -1.41 2.91 -0.22 -0.14 1.02 -1.15 -4.97 120.64 116.68 3kno n GLU 120 Ca 0.01 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 3kno n GLU 120 Cb 0.04 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3kno n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kno n GLY 121 N -0.14 0.00 0.59 0.62 0.00 0.60 -4.69 105.19 102.16 3kno n GLY 121 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kno n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kno n LYS 122 N -1.19 0.36 -3.19 1.61 4.76 -1.17 -4.67 118.16 114.68 3kno n LYS 122 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3kno n LYS 122 Cb 0.00 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3kno n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kno s LEU 123 N 0.00 3.53 -0.31 -0.35 2.96 -1.26 -2.63 118.68 120.62 3kno s LEU 123 Ca 0.00 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 3kno s LEU 123 Cb 0.00 -2.39 0.19 0.00 0.50 0.00 0.00 46.19 44.49 3kno s LEU 123 CO 0.00 -0.77 1.04 -0.22 -1.32 0.00 0.00 176.35 175.08 3kno s LEU 124 N -4.31 -0.38 -1.18 -0.68 2.96 -0.90 -4.76 118.68 109.43 3kno s LEU 124 Ca 0.53 -0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 54.15 3kno s LEU 124 Cb -0.08 0.87 -0.07 0.00 0.50 0.00 0.00 46.19 47.41 3kno s LEU 124 CO 0.32 -0.06 1.92 -0.76 -1.32 0.00 0.00 176.35 176.45 3kno s LEU 125 N 2.47 3.11 0.00 -0.68 2.01 -1.26 -3.61 118.68 120.73 3kno s LEU 125 Ca 0.22 -1.69 0.00 0.00 0.01 0.00 0.00 54.13 52.66 3kno s LEU 125 Cb 0.01 -2.59 0.00 0.00 0.01 0.00 0.00 46.19 43.62 3kno s LEU 125 CO -0.19 -2.93 0.00 1.33 1.01 0.00 0.00 176.35 175.58 3kno n VAL 126 N 7.70 0.00 0.00 -1.59 0.24 -0.73 -3.65 118.33 120.30 3kno n VAL 126 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.75 3kno n VAL 126 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 3kno n VAL 126 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kno n GLU 127 N -0.55 0.00 -1.94 7.34 4.07 -1.25 -3.60 120.64 124.70 3kno n GLU 127 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 3kno n GLU 127 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 3kno n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kno s ALA 128 N 0.00 1.45 -0.75 4.31 0.00 -1.22 -4.91 121.76 120.63 3kno s ALA 128 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.35 3kno s ALA 128 Cb 0.00 -4.58 0.18 0.00 0.00 0.00 0.00 23.12 18.72 3kno s ALA 128 CO 0.00 -5.16 0.74 -0.06 0.00 0.00 0.00 175.76 171.28 3kno s PHE 129 N 11.36 3.51 0.23 0.00 0.08 -1.26 -4.85 117.98 127.05 3kno s PHE 129 Ca 0.75 -1.68 0.19 0.00 0.12 0.00 0.00 56.93 56.31 3kno s PHE 129 Cb -0.07 -3.88 0.78 0.00 -0.57 0.00 0.00 43.02 39.28 3kno s PHE 129 CO 0.03 -1.08 1.79 0.00 -0.10 0.00 0.00 175.22 175.86 3kno h ALA 130 N 8.27 1.09 -0.64 5.36 0.00 -1.96 -3.38 119.26 127.99 3kno h ALA 130 Ca -0.02 -0.32 -0.28 0.00 0.00 0.00 0.00 54.91 54.30 3kno h ALA 130 Cb 1.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3kno h ALA 130 CO 0.89 0.43 0.73 0.20 0.00 0.00 0.00 179.25 181.50 3kno s GLY 131 N -4.33 0.09 0.00 0.00 0.00 -1.26 -4.90 107.32 96.92 3kno s GLY 131 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.15 3kno s GLY 131 CO 0.68 3.56 0.00 1.55 0.00 0.00 0.00 173.10 178.89 3kno n VAL 132 N 7.94 0.00 -0.80 1.40 3.14 -1.26 -4.67 118.33 124.08 3kno n VAL 132 Ca 0.41 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.51 3kno n VAL 132 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.23 3kno n VAL 132 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3kno n ASN 133 N 0.00 -0.64 -2.66 6.55 3.02 -1.26 -4.43 115.26 115.84 3kno n ASN 133 Ca 0.00 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 3kno n ASN 133 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 3kno n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kno n GLY 134 N 1.11 0.72 3.32 7.41 0.00 -1.22 -4.71 105.19 111.81 3kno n GLY 134 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 3kno n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kno s LYS 135 N 2.15 3.14 0.02 1.61 2.47 -1.26 -2.85 119.74 125.02 3kno s LYS 135 Ca 0.00 -1.89 -0.04 0.00 -1.56 0.00 0.00 55.97 52.48 3kno s LYS 135 Cb 0.00 -4.33 -0.01 0.00 -1.46 0.00 0.00 37.83 32.03 3kno s LYS 135 CO 0.00 -1.32 0.21 -2.37 0.16 0.00 0.00 175.35 172.03 3kno n THR 136 N 4.94 -0.09 -0.42 3.43 5.66 -1.26 0.95 114.28 127.49 3kno n THR 136 Ca -0.07 0.34 0.36 0.00 -3.05 0.00 0.00 64.05 61.62 3kno n THR 136 Cb 0.42 -0.42 0.63 0.00 -1.55 0.00 0.00 70.33 69.41 3kno n THR 136 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 3kno h LYS 137 N 0.00 0.07 0.66 1.09 1.57 -1.93 0.39 116.57 118.42 3kno h LYS 137 Ca 0.02 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3kno h LYS 137 Cb 0.05 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kno h LYS 137 CO -0.12 0.05 -0.32 0.93 -0.57 0.00 0.00 179.45 179.42 3kno h GLU 138 N 0.07 -0.85 -0.96 3.15 5.08 0.22 -2.57 114.58 118.72 3kno h GLU 138 Ca 0.83 0.06 0.21 0.00 -1.00 0.00 0.00 59.36 59.47 3kno h GLU 138 Cb 2.51 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 31.88 3kno h GLU 138 CO -0.50 -0.56 0.62 0.35 -1.00 0.00 0.00 179.01 177.92 3kno h PHE 139 N -1.22 0.67 0.00 4.33 3.57 -0.59 -1.76 116.94 121.94 3kno h PHE 139 Ca -0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3kno h PHE 139 Cb 0.69 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3kno h PHE 139 CO 0.00 0.15 0.00 1.28 -2.23 0.00 0.00 178.31 177.51 3kno n LEU 140 N -4.58 0.00 -0.36 0.59 7.99 0.10 -1.41 117.00 119.33 3kno n LEU 140 Ca 0.21 0.45 0.00 0.00 -0.01 0.00 0.00 56.01 56.67 3kno n LEU 140 Cb 0.71 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 44.08 3kno n LEU 140 CO 0.28 0.00 0.57 0.00 -1.51 0.00 0.00 177.39 176.73 3kno n ALA 141 N -0.96 -0.05 -0.36 -1.18 0.00 -0.99 0.61 120.51 117.59 3kno n ALA 141 Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 53.44 54.45 3kno n ALA 141 Cb 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 19.45 19.10 3kno n ALA 141 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3kno n TRP 142 N -5.43 0.28 -0.29 0.00 -0.00 -0.68 0.11 117.44 111.43 3kno n TRP 142 Ca 0.11 1.21 0.12 0.00 -0.00 0.00 0.00 57.50 58.93 3kno n TRP 142 Cb 0.40 -1.03 0.36 0.00 -0.00 0.00 0.00 31.31 31.04 3kno n TRP 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3kno h ALA 143 N 1.84 1.80 0.03 5.87 0.00 0.14 -0.80 119.26 128.13 3kno h ALA 143 Ca 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kno h ALA 143 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kno h ALA 143 CO -1.01 -0.06 -0.02 -0.22 0.00 0.00 0.00 179.25 177.95 3kno h LYS 144 N 0.72 -0.04 -1.06 0.00 3.64 0.90 0.82 116.57 121.56 3kno h LYS 144 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3kno h LYS 144 Cb 0.75 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3kno h LYS 144 CO -0.24 0.28 0.00 0.39 -2.27 0.00 0.00 179.45 177.62 3kno n GLU 145 N -4.95 0.49 0.00 1.90 -0.58 -0.34 -1.67 120.64 115.48 3kno n GLU 145 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3kno n GLU 145 Cb 0.19 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 3kno n GLU 145 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kno n ALA 146 N 0.54 2.49 0.00 0.62 0.00 -0.98 -5.00 120.51 118.17 3kno n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 146 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3kno n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 147 N 1.27 0.14 3.22 0.00 0.00 0.23 -5.06 105.19 104.98 3kno n GLY 147 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3kno n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kno n LEU 148 N 0.00 5.85 -1.01 0.99 4.77 0.20 -4.85 117.00 122.95 3kno n LEU 148 Ca 0.00 -5.08 -0.02 0.00 -0.03 0.00 0.00 56.01 50.88 3kno n LEU 148 Cb 0.00 -1.41 0.02 0.00 -2.33 0.00 0.00 43.42 39.70 3kno n LEU 148 CO 0.00 1.46 0.52 -0.90 -1.33 0.00 0.00 177.39 177.13 3kno n ASP 149 N 2.28 2.71 -0.86 -1.43 3.85 -1.26 -4.22 116.55 117.62 3kno n ASP 149 Ca 0.25 -2.14 -0.11 0.00 -0.71 0.00 0.00 54.79 52.08 3kno n ASP 149 Cb 0.37 -0.53 -0.05 0.00 -1.35 0.00 0.00 41.12 39.56 3kno n ASP 149 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kno n GLY 150 N 0.28 1.19 0.00 6.12 0.00 -1.26 -4.82 105.19 106.70 3kno n GLY 150 Ca 0.05 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3kno n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kno n SER 151 N -0.46 0.43 -3.85 1.61 7.64 -1.26 -4.78 113.62 112.94 3kno n SER 151 Ca -0.11 -0.13 -0.17 0.00 1.01 0.00 0.00 58.87 59.47 3kno n SER 151 Cb 0.45 0.13 -0.16 0.00 -1.01 0.00 0.00 64.21 63.63 3kno n SER 151 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kno s GLU 152 N -3.00 0.38 0.12 1.43 2.02 -1.26 -5.12 118.70 113.27 3kno s GLU 152 Ca 0.11 0.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.80 3kno s GLU 152 Cb 0.18 -0.50 -0.10 0.00 0.10 0.00 0.00 34.13 33.81 3kno s GLU 152 CO 0.67 -0.09 1.68 -1.54 0.02 0.00 0.00 175.26 176.01 3kno s SER 153 N 0.79 6.53 -0.15 -0.19 1.04 -1.26 -4.79 113.70 115.66 3kno s SER 153 Ca -0.08 2.63 0.01 0.00 0.48 0.00 0.00 55.95 58.99 3kno s SER 153 Cb -0.12 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.45 3kno s SER 153 CO -0.01 -0.91 -0.17 -0.69 0.98 0.00 0.00 173.24 172.44 3kno s VAL 154 N 2.09 1.80 -0.68 5.02 1.01 0.35 -0.54 120.40 129.44 3kno s VAL 154 Ca 0.75 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 3kno s VAL 154 Cb -0.44 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.35 3kno s VAL 154 CO 0.33 0.50 1.08 -0.22 0.00 0.00 0.00 175.10 176.79 3kno s LEU 155 N 1.28 3.91 -0.54 3.92 2.96 -0.86 -0.24 118.68 129.12 3kno s LEU 155 Ca 0.02 -0.76 -0.26 0.00 -0.22 0.00 0.00 54.13 52.92 3kno s LEU 155 Cb -0.13 -2.49 0.04 0.00 0.50 0.00 0.00 46.19 44.10 3kno s LEU 155 CO -0.10 -1.58 1.00 -0.22 -1.32 0.00 0.00 176.35 174.14 3kno s LEU 156 N 4.69 3.91 -0.42 -0.68 2.96 -1.22 -2.81 118.68 125.11 3kno s LEU 156 Ca 0.27 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 3kno s LEU 156 Cb -0.13 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.57 3kno s LEU 156 CO 0.12 -1.25 0.33 -0.69 -1.32 0.00 0.00 176.35 173.54 3kno s VAL 157 N 4.16 5.24 0.04 1.68 1.01 -1.18 -1.70 120.40 129.65 3kno s VAL 157 Ca 0.35 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3kno s VAL 157 Cb -0.11 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kno s VAL 157 CO 0.23 -0.35 0.40 0.28 0.00 0.00 0.00 175.10 175.66 3kno s THR 158 N 1.73 0.06 -1.96 3.92 -1.32 -0.59 -1.31 115.64 116.16 3kno s THR 158 Ca 0.06 -0.47 0.12 0.00 -1.21 0.00 0.00 61.69 60.18 3kno s THR 158 Cb -0.19 -0.95 0.35 0.00 -1.51 0.00 0.00 72.50 70.20 3kno s THR 158 CO 0.10 -0.26 1.29 0.61 -2.21 0.00 0.00 174.62 174.15 3kno n GLY 159 N 0.51 0.91 3.64 6.08 0.00 -1.26 -4.16 105.19 110.90 3kno n GLY 159 Ca -0.18 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3kno n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kno s ASN 160 N -0.98 6.31 0.44 1.61 3.04 -1.26 -4.95 114.94 119.14 3kno s ASN 160 Ca 0.27 0.35 0.24 0.00 0.04 0.00 0.00 52.86 53.76 3kno s ASN 160 Cb 0.14 -2.20 0.54 0.00 -1.54 0.00 0.00 41.25 38.18 3kno s ASN 160 CO 0.18 -0.11 1.67 -0.33 -3.04 0.00 0.00 177.10 175.47 3kno h GLU 161 N 7.77 0.00 0.14 0.43 4.39 -1.98 -2.65 114.58 122.68 3kno h GLU 161 Ca -0.34 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.01 3kno h GLU 161 Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3kno h GLU 161 CO 0.67 0.09 -1.84 -0.07 -1.16 0.00 0.00 179.01 176.70 3kno h LEU 162 N 0.00 0.47 -1.77 1.33 4.07 -1.92 0.17 115.31 117.65 3kno h LEU 162 Ca -0.00 -0.85 -0.01 0.00 0.08 0.00 0.00 57.88 57.11 3kno h LEU 162 Cb 0.94 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 3kno h LEU 162 CO 0.01 1.74 0.08 0.58 -1.08 0.00 0.00 178.44 179.77 3kno h VAL 163 N 0.08 1.06 0.36 1.22 2.07 -1.80 -1.34 116.25 117.91 3kno h VAL 163 Ca -0.37 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3kno h VAL 163 Cb 2.06 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3kno h VAL 163 CO 0.13 0.07 -0.17 -0.09 0.02 0.00 0.00 177.57 177.53 3kno h ARG 164 N 0.23 -0.47 -0.98 1.57 9.65 -1.40 -0.21 114.38 122.77 3kno h ARG 164 Ca 0.06 0.03 0.19 0.00 -1.10 0.00 0.00 59.98 59.16 3kno h ARG 164 Cb 0.03 0.11 -0.18 0.00 -1.39 0.00 0.00 29.97 28.54 3kno h ARG 164 CO -0.01 -0.31 -0.27 0.00 2.80 0.00 0.00 179.97 182.17 3kno h ARG 165 N -0.59 -0.00 0.66 0.20 2.47 -0.30 0.12 114.38 116.95 3kno h ARG 165 Ca -0.05 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3kno h ARG 165 Cb 0.37 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3kno h ARG 165 CO 0.08 -0.00 -0.32 0.00 0.56 0.00 0.00 179.97 180.29 3kno h ALA 166 N 1.86 -1.07 -0.95 0.04 0.00 -1.10 -3.21 119.26 114.82 3kno h ALA 166 Ca 0.45 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.33 3kno h ALA 166 Cb 0.69 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 18.66 3kno h ALA 166 CO -1.01 -1.01 -0.30 0.00 0.00 0.00 0.00 179.25 176.93 3kno h ALA 167 N -1.46 0.42 0.00 0.00 0.00 0.00 -3.33 119.26 114.89 3kno h ALA 167 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kno h ALA 167 Cb 0.68 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3kno h ALA 167 CO 0.15 -0.49 0.00 0.54 0.00 0.00 0.00 179.25 179.45 3kno n ARG 168 N -5.55 0.00 0.16 0.00 1.74 0.33 -1.95 116.66 111.39 3kno n ARG 168 Ca 0.13 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.29 3kno n ARG 168 Cb 0.44 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.32 3kno n ARG 168 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kno n ASN 169 N -0.14 0.42 -4.69 0.55 5.03 -1.25 -4.67 115.26 110.50 3kno n ASN 169 Ca 0.00 0.63 -0.42 0.00 0.87 0.00 0.00 54.58 55.65 3kno n ASN 169 Cb 0.00 -0.62 -0.03 0.00 -1.02 0.00 0.00 39.78 38.11 3kno n ASN 169 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kno s LEU 170 N -4.24 4.29 0.00 3.41 1.02 -0.82 -4.87 118.68 117.47 3kno s LEU 170 Ca -0.02 1.93 0.11 0.00 0.02 0.00 0.00 54.13 56.17 3kno s LEU 170 Cb 0.05 -3.56 0.61 0.00 0.02 0.00 0.00 46.19 43.31 3kno s LEU 170 CO 0.15 -0.64 1.12 -2.65 0.02 0.00 0.00 176.35 174.34 3kno n PRO 171 N 5.27 0.29 -0.09 1.29 -0.02 -1.26 -1.49 135.00 138.99 3kno n PRO 171 Ca 0.12 0.05 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 3kno n PRO 171 Cb 0.45 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.50 3kno n PRO 171 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3kno n TRP 172 N -1.07 0.00 -4.69 6.00 4.27 -1.26 -5.00 117.44 115.69 3kno n TRP 172 Ca 0.07 -0.65 -0.27 0.00 -3.89 0.00 0.00 57.50 52.77 3kno n TRP 172 Cb 0.05 -0.09 -0.14 0.00 -1.36 0.00 0.00 31.31 29.76 3kno n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3kno s VAL 173 N -1.71 1.81 -0.45 -1.67 1.01 -0.56 0.13 120.40 118.97 3kno s VAL 173 Ca 0.15 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 60.93 3kno s VAL 173 Cb 0.13 -1.57 0.27 0.00 0.00 0.00 0.00 36.38 35.21 3kno s VAL 173 CO 0.01 0.23 0.61 0.52 0.00 0.00 0.00 175.10 176.48 3kno n VAL 174 N 1.77 0.14 -1.35 2.92 0.31 0.66 -4.77 118.33 118.01 3kno n VAL 174 Ca -0.17 -4.39 -0.53 0.00 -0.01 0.00 0.00 64.34 59.24 3kno n VAL 174 Cb 0.53 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 3kno n VAL 174 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3kno n THR 175 N 1.09 0.00 -3.70 2.52 -1.04 -1.26 -3.38 114.28 108.51 3kno n THR 175 Ca 0.24 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.14 3kno n THR 175 Cb 0.52 -0.05 -0.10 0.00 -1.82 0.00 0.00 70.33 68.88 3kno n THR 175 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kno s LEU 176 N 0.28 -0.07 1.15 -4.42 2.96 -0.69 -4.92 118.68 112.96 3kno s LEU 176 Ca 0.82 0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 55.53 3kno s LEU 176 Cb -1.15 1.52 0.26 0.00 0.50 0.00 0.00 46.19 47.32 3kno s LEU 176 CO 0.53 -0.19 1.07 0.00 -1.32 0.00 0.00 176.35 176.44 3kno s ALA 177 N 1.07 0.42 0.07 5.97 0.00 -1.26 -1.55 121.76 126.48 3kno s ALA 177 Ca -0.07 -0.62 -0.32 0.00 0.00 0.00 0.00 51.96 50.96 3kno s ALA 177 Cb -0.06 -3.02 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 3kno s ALA 177 CO -0.09 -3.47 1.61 -1.00 0.00 0.00 0.00 175.76 172.81 3kno h PRO 178 N -2.43 -0.77 -0.28 0.00 0.13 -1.90 -3.14 132.00 123.61 3kno h PRO 178 Ca -0.51 0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 3kno h PRO 178 Cb 1.32 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.58 3kno h PRO 178 CO 0.45 -0.50 -0.04 0.93 -0.23 0.00 0.00 178.00 178.60 3kno h GLU 179 N -0.82 0.03 0.00 0.86 3.07 -1.96 -2.40 114.58 113.36 3kno h GLU 179 Ca -0.08 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3kno h GLU 179 Cb 0.62 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3kno h GLU 179 CO 0.13 0.02 0.29 0.41 -1.40 0.00 0.00 179.01 178.46 3kno n GLY 180 N -1.23 -0.09 3.65 -3.84 0.00 -1.18 -4.66 105.19 97.83 3kno n GLY 180 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3kno n GLY 180 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kno n LEU 181 N -1.00 2.78 -3.52 0.99 7.94 -0.91 -4.91 117.00 118.38 3kno n LEU 181 Ca 0.00 1.17 -0.09 0.00 -1.11 0.00 0.00 56.01 55.98 3kno n LEU 181 Cb 0.29 -1.39 -0.03 0.00 0.53 0.00 0.00 43.42 42.82 3kno n LEU 181 CO 0.00 -0.97 0.69 0.54 -1.11 0.00 0.00 177.39 176.54 3kno s ASN 182 N -0.47 -0.38 0.21 1.96 2.20 -1.26 -5.06 114.94 112.13 3kno s ASN 182 Ca 0.58 0.10 -0.10 0.00 -0.94 0.00 0.00 52.86 52.50 3kno s ASN 182 Cb -0.61 0.38 0.15 0.00 -2.00 0.00 0.00 41.25 39.17 3kno s ASN 182 CO 0.60 -0.57 1.86 0.58 -2.94 0.00 0.00 177.10 176.64 3kno h VAL 183 N 2.14 1.21 0.16 3.54 2.07 -1.90 -2.03 116.25 121.44 3kno h VAL 183 Ca -0.22 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3kno h VAL 183 Cb 1.22 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3kno h VAL 183 CO 0.31 0.21 -0.09 0.22 0.02 0.00 0.00 177.57 178.24 3kno h TYR 184 N 1.03 -0.24 -1.05 1.57 3.20 -1.95 0.17 116.97 119.70 3kno h TYR 184 Ca 0.27 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.41 3kno h TYR 184 Cb -0.07 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.18 3kno h TYR 184 CO -0.01 -0.14 0.67 -0.44 -1.64 0.00 0.00 178.16 176.60 3kno h ASP 185 N -0.24 0.45 0.77 -2.11 3.32 -1.95 1.72 116.42 118.38 3kno h ASP 185 Ca -0.02 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3kno h ASP 185 Cb 0.19 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.76 3kno h ASP 185 CO 0.03 0.07 -0.37 0.40 -1.72 0.00 0.00 179.24 177.65 3kno h ILE 186 N 0.39 0.09 -0.33 0.35 1.08 -1.03 -2.83 117.51 115.23 3kno h ILE 186 Ca 0.61 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.84 3kno h ILE 186 Cb 1.54 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 3kno h ILE 186 CO -0.32 0.01 0.07 0.58 -0.69 0.00 0.00 178.15 177.80 3kno h VAL 187 N -1.21 1.23 -1.23 1.67 2.07 0.18 -2.99 116.25 115.97 3kno h VAL 187 Ca -0.11 -0.77 0.45 0.00 0.82 0.00 0.00 66.70 67.09 3kno h VAL 187 Cb 0.80 1.09 -0.15 0.00 -1.52 0.00 0.00 31.29 31.52 3kno h VAL 187 CO 0.17 0.26 0.76 -1.14 0.02 0.00 0.00 177.57 177.64 3kno n ARG 188 N -4.62 -0.04 -2.62 1.57 0.63 0.58 -4.52 116.66 107.64 3kno n ARG 188 Ca -0.02 1.25 -0.17 0.00 -0.92 0.00 0.00 57.85 57.99 3kno n ARG 188 Cb 0.20 -2.39 0.06 0.00 0.45 0.00 0.00 32.46 30.78 3kno n ARG 188 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3kno n THR 189 N -4.81 0.00 -0.13 5.15 -2.24 -1.07 -5.04 114.28 106.14 3kno n THR 189 Ca 0.38 -1.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.29 3kno n THR 189 Cb 1.44 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.92 3kno n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kno n GLU 190 N -2.15 0.60 -4.83 -0.78 1.02 -0.57 -4.99 120.64 108.95 3kno n GLU 190 Ca 0.14 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.26 3kno n GLU 190 Cb 0.51 -1.52 -0.15 0.00 -0.02 0.00 0.00 31.44 30.26 3kno n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kno s ARG 191 N -2.50 1.66 -0.19 3.49 0.52 0.30 -4.93 118.95 117.29 3kno s ARG 191 Ca -0.37 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 53.76 3kno s ARG 191 Cb 0.13 -1.80 -0.02 0.00 0.52 0.00 0.00 34.95 33.77 3kno s ARG 191 CO 0.53 0.47 -0.01 -1.17 0.02 0.00 0.00 175.30 175.13 3kno s LEU 192 N -1.16 3.21 -0.50 2.53 0.20 -1.08 -2.03 118.68 119.85 3kno s LEU 192 Ca 0.10 -0.22 0.04 0.00 0.69 0.00 0.00 54.13 54.74 3kno s LEU 192 Cb -0.09 -1.81 0.16 0.00 -0.43 0.00 0.00 46.19 44.02 3kno s LEU 192 CO 0.02 0.07 0.36 -0.69 -0.29 0.00 0.00 176.35 175.81 3kno s VAL 193 N 0.95 1.27 0.13 1.68 1.01 -1.12 -2.13 120.40 122.20 3kno s VAL 193 Ca 0.01 -3.04 0.03 0.00 0.00 0.00 0.00 61.98 58.98 3kno s VAL 193 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3kno s VAL 193 CO 0.02 -1.09 0.23 0.00 0.00 0.00 0.00 175.10 174.26 3kno s MET 194 N -0.25 3.29 0.00 2.72 0.23 -1.24 -3.12 119.30 120.94 3kno s MET 194 Ca 0.27 -0.63 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 3kno s MET 194 Cb -0.06 -2.90 0.00 0.00 -1.53 0.00 0.00 34.83 30.34 3kno s MET 194 CO -0.14 0.53 0.00 -3.47 -2.03 0.00 0.00 175.02 169.92 3kno n ASP 195 N -0.29 -0.56 -0.12 -1.18 -0.08 -0.43 -1.77 116.55 112.13 3kno n ASP 195 Ca -0.07 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 52.96 3kno n ASP 195 Cb 0.53 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.88 3kno n ASP 195 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kno n LEU 196 N 0.00 1.97 0.00 -2.67 4.77 -1.24 -3.47 117.00 116.36 3kno n LEU 196 Ca 0.00 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.37 3kno n LEU 196 Cb 0.00 -0.91 0.17 0.00 -2.33 0.00 0.00 43.42 40.35 3kno n LEU 196 CO 0.00 0.46 0.56 -0.90 -1.33 0.00 0.00 177.39 176.18 3kno n ASP 197 N -4.27 0.00 0.03 -1.43 5.75 -1.26 -0.56 116.55 114.80 3kno n ASP 197 Ca -0.43 0.30 -0.22 0.00 -0.01 0.00 0.00 54.79 54.43 3kno n ASP 197 Cb 0.80 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 40.39 3kno n ASP 197 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kno h ALA 198 N 2.30 0.23 0.00 2.12 0.00 -1.88 -2.95 119.26 119.08 3kno h ALA 198 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3kno h ALA 198 Cb 0.08 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kno h ALA 198 CO 0.00 1.02 0.00 1.87 0.00 0.00 0.00 179.25 182.14 3kno n TRP 199 N -3.71 0.00 0.00 0.00 -0.00 0.27 -1.30 117.44 112.71 3kno n TRP 199 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.23 3kno n TRP 199 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.31 3kno n TRP 199 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 3kno n GLU 200 N -0.70 0.00 -0.49 5.87 4.07 -0.91 -2.89 120.64 125.59 3kno n GLU 200 Ca 0.07 0.00 0.41 0.00 -0.06 0.00 0.00 57.16 57.59 3kno n GLU 200 Cb 0.03 -0.19 0.68 0.00 -0.06 0.00 0.00 31.44 31.91 3kno n GLU 200 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 3kno n VAL 201 N -1.00 -0.22 0.23 6.31 3.14 -1.12 0.14 118.33 125.82 3kno n VAL 201 Ca 0.00 1.74 -0.10 0.00 -2.96 0.00 0.00 64.34 63.01 3kno n VAL 201 Cb 0.00 -2.86 -0.05 0.00 -1.06 0.00 0.00 33.84 29.87 3kno n VAL 201 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3kno h PHE 202 N 0.00 -0.60 -0.51 1.45 3.57 -1.40 0.64 116.94 120.10 3kno h PHE 202 Ca 0.87 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.51 3kno h PHE 202 Cb 2.90 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 41.82 3kno h PHE 202 CO -0.01 -0.35 0.58 1.96 -2.23 0.00 0.00 178.31 178.27 3kno h GLN 203 N -1.15 0.00 0.00 1.11 1.08 0.13 -1.58 115.11 114.70 3kno h GLN 203 Ca -0.07 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3kno h GLN 203 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3kno h GLN 203 CO 0.11 0.00 -0.24 -0.97 -0.95 0.00 0.00 178.83 176.77 3kno h ASN 204 N 0.00 0.00 0.00 1.46 -0.73 0.15 -3.34 115.58 113.12 3kno h ASN 204 Ca 0.24 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.86 3kno h ASN 204 Cb 1.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.98 3kno h ASN 204 CO -0.00 0.91 0.00 -1.14 -0.37 0.00 0.00 177.43 176.83 3kno n ARG 205 N -4.63 0.19 -3.04 6.67 0.63 0.22 -3.60 116.66 113.10 3kno n ARG 205 Ca -0.10 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.64 3kno n ARG 205 Cb 0.36 -1.08 -0.03 0.00 0.45 0.00 0.00 32.46 32.16 3kno n ARG 205 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3kno n ILE 206 N 0.31 -0.43 0.00 5.15 -5.35 -1.20 -4.95 119.36 112.88 3kno n ILE 206 Ca 0.00 -3.22 0.00 0.00 -0.27 0.00 0.00 62.75 59.26 3kno n ILE 206 Cb 0.04 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 3kno n ILE 206 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kno n GLY 207 N 1.37 -1.99 0.00 3.28 0.00 -1.24 -5.00 105.19 101.62 3kno n GLY 207 Ca 0.17 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.22 3kno n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93