#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kow h PHE 7 N 0.00 -0.70 -0.89 -0.67 3.57 -2.04 -0.63 116.94 115.57 3kow h PHE 7 Ca 0.00 0.04 0.37 0.00 3.53 0.00 0.00 57.97 61.91 3kow h PHE 7 Cb 0.00 0.34 -0.16 0.00 2.79 0.00 0.00 35.95 38.92 3kow h PHE 7 CO 0.00 -0.16 0.45 1.04 -2.23 0.00 0.00 178.31 177.41 3kow n GLN 8 N -3.81 -0.05 -0.03 1.11 1.13 -1.26 0.35 117.38 114.81 3kow n GLN 8 Ca -0.00 1.24 -0.16 0.00 -1.94 0.00 0.00 57.00 56.14 3kow n GLN 8 Cb 0.12 -2.21 -0.08 0.00 0.11 0.00 0.00 30.24 28.17 3kow n GLN 8 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3kow h GLN 9 N 0.00 0.54 -0.06 -1.09 4.15 -1.62 -3.33 115.11 113.69 3kow h GLN 9 Ca 0.75 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 3kow h GLN 9 Cb 1.96 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.73 3kow h GLN 9 CO -0.70 1.05 -0.03 0.00 -1.93 0.00 0.00 178.83 177.22 3kow h ARG 10 N 0.15 0.13 -0.15 1.69 2.47 0.88 -3.16 114.38 116.38 3kow h ARG 10 Ca -0.03 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3kow h ARG 10 Cb 1.13 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3kow h ARG 10 CO 0.10 0.52 0.00 2.89 0.56 0.00 0.00 179.97 184.04 3kow n ARG 11 N -4.79 0.59 -0.04 0.04 1.85 0.50 -3.84 116.66 110.97 3kow n ARG 11 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.61 3kow n ARG 11 Cb 0.26 -1.08 -0.07 0.00 -1.05 0.00 0.00 32.46 30.52 3kow n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kow h ALA 12 N 2.03 0.33 0.00 2.89 0.00 -1.66 -3.06 119.26 119.78 3kow h ALA 12 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kow h ALA 12 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kow h ALA 12 CO 0.00 0.61 0.00 -2.39 0.00 0.00 0.00 179.25 177.47 3kow n HIS 13 N -4.03 0.00 0.63 0.00 1.44 -1.25 -2.13 115.22 109.88 3kow n HIS 13 Ca -0.07 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.71 3kow n HIS 13 Cb 0.67 -0.40 -0.01 0.00 0.12 0.00 0.00 29.99 30.38 3kow n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kow n LEU 14 N -1.40 1.43 -0.05 2.39 4.77 -1.22 -4.57 117.00 118.34 3kow n LEU 14 Ca 0.09 -0.74 0.04 0.00 -0.03 0.00 0.00 56.01 55.36 3kow n LEU 14 Cb 0.24 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.72 3kow n LEU 14 CO 0.21 0.28 1.18 0.00 -1.33 0.00 0.00 177.39 177.73 3kow h ALA 15 N 2.43 1.67 -0.45 -1.18 0.00 -1.32 -1.97 119.26 118.44 3kow h ALA 15 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kow h ALA 15 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kow h ALA 15 CO 0.00 0.30 0.02 0.09 0.00 0.00 0.00 179.25 179.66 3kow n ASN 16 N -4.46 4.85 -4.84 0.00 5.03 -1.26 -4.93 115.26 109.65 3kow n ASN 16 Ca 0.05 -3.01 -0.33 0.00 0.87 0.00 0.00 54.58 52.15 3kow n ASN 16 Cb 0.06 -0.63 -0.06 0.00 -1.02 0.00 0.00 39.78 38.13 3kow n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kow s LEU 17 N -2.83 4.08 0.90 3.41 1.43 -0.74 -5.08 118.68 119.85 3kow s LEU 17 Ca 0.49 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 3kow s LEU 17 Cb 0.39 -4.10 0.14 0.00 0.03 0.00 0.00 46.19 42.65 3kow s LEU 17 CO 0.12 -0.20 1.21 -0.94 0.23 0.00 0.00 176.35 176.77 3kow s SER 18 N -2.17 3.70 0.47 2.29 1.04 -1.26 -4.85 113.70 112.92 3kow s SER 18 Ca 0.54 0.67 0.24 0.00 0.48 0.00 0.00 55.95 57.88 3kow s SER 18 Cb -0.11 -1.04 1.14 0.00 0.10 0.00 0.00 66.02 66.12 3kow s SER 18 CO 0.17 -2.40 1.94 0.44 0.98 0.00 0.00 173.24 174.37 3kow h ASP 19 N -1.40 0.00 -0.11 7.02 3.32 -1.99 -1.94 116.42 121.32 3kow h ASP 19 Ca -0.46 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 3kow h ASP 19 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3kow h ASP 19 CO 0.55 0.20 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.53 3kow h GLU 20 N 0.00 0.47 -0.69 3.56 3.07 -1.99 -1.76 114.58 117.24 3kow h GLU 20 Ca -0.00 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.44 3kow h GLU 20 Cb 0.55 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3kow h GLU 20 CO 0.03 0.99 0.21 0.93 -1.40 0.00 0.00 179.01 179.77 3kow h GLU 21 N 0.05 1.07 -0.34 2.33 5.08 -1.89 -0.06 114.58 120.82 3kow h GLU 21 Ca -0.02 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3kow h GLU 21 Cb 1.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3kow h GLU 21 CO 0.09 0.92 0.17 1.25 -1.00 0.00 0.00 179.01 180.43 3kow h LEU 22 N 1.03 0.45 -0.33 1.33 5.85 -1.33 0.29 115.31 122.59 3kow h LEU 22 Ca 0.23 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kow h LEU 22 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kow h LEU 22 CO -0.01 0.44 0.16 -0.61 -0.34 0.00 0.00 178.44 178.08 3kow h GLN 23 N 0.42 0.48 -0.53 1.25 4.15 -1.19 -1.23 115.11 118.47 3kow h GLN 23 Ca 0.12 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 3kow h GLN 23 Cb 0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3kow h GLN 23 CO -0.02 0.45 -0.03 1.79 -1.93 0.00 0.00 178.83 179.09 3kow h THR 24 N 0.40 1.27 -0.92 2.39 1.35 -0.71 -1.96 112.91 114.73 3kow h THR 24 Ca 0.11 -1.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.82 3kow h THR 24 Cb 0.12 0.94 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 3kow h THR 24 CO -0.01 0.40 0.52 -0.09 -0.25 0.00 0.00 175.52 176.09 3kow h ARG 25 N 0.82 1.27 -0.38 4.72 2.43 -0.39 -0.27 114.38 122.59 3kow h ARG 25 Ca 0.15 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3kow h ARG 25 Cb 0.57 -0.26 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 3kow h ARG 25 CO 0.03 0.92 -0.17 0.35 -1.51 0.00 0.00 179.97 179.59 3kow h PHE 26 N 1.28 -0.41 0.03 2.20 3.57 -0.56 -2.13 116.94 120.91 3kow h PHE 26 Ca 0.33 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.66 3kow h PHE 26 Cb -0.00 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3kow h PHE 26 CO 0.01 -0.25 -0.97 -1.49 -2.23 0.00 0.00 178.31 173.38 3kow h TRP 27 N -0.10 0.22 -0.58 0.41 4.06 -1.07 -2.80 115.95 116.10 3kow h TRP 27 Ca 0.19 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 3kow h TRP 27 Cb 0.39 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3kow h TRP 27 CO -0.40 1.02 0.26 1.49 -3.56 0.00 0.00 178.44 177.25 3kow h GLU 28 N 0.06 0.82 -0.28 0.49 4.57 -0.90 -0.84 114.58 118.51 3kow h GLU 28 Ca -0.05 -0.11 -0.18 0.00 -1.18 0.00 0.00 59.36 57.84 3kow h GLU 28 Cb 1.65 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 30.09 3kow h GLU 28 CO 0.14 0.65 -0.53 0.52 -1.18 0.00 0.00 179.01 178.61 3kow h MET 29 N 0.82 0.81 -0.56 1.92 2.86 -1.39 -2.76 114.93 116.64 3kow h MET 29 Ca 0.20 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3kow h MET 29 Cb 0.11 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 3kow h MET 29 CO -0.02 1.14 0.35 0.00 1.06 0.00 0.00 176.91 179.43 3kow h ALA 30 N 0.76 0.71 -0.45 6.32 0.00 -1.16 -2.02 119.26 123.42 3kow h ALA 30 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3kow h ALA 30 Cb 1.13 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3kow h ALA 30 CO 0.12 0.18 -0.01 1.49 0.00 0.00 0.00 179.25 181.02 3kow h GLU 31 N 0.75 0.09 0.01 0.00 4.57 -1.06 -2.36 114.58 116.58 3kow h GLU 31 Ca 0.20 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3kow h GLU 31 Cb -0.03 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3kow h GLU 31 CO -0.04 0.06 -0.00 0.87 -1.18 0.00 0.00 179.01 178.72 3kow h LYS 32 N 0.10 -0.01 -0.30 1.92 1.57 -1.19 -2.28 116.57 116.37 3kow h LYS 32 Ca 0.22 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 3kow h LYS 32 Cb 0.33 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 3kow h LYS 32 CO -0.39 0.00 -0.16 0.82 -0.57 0.00 0.00 179.45 179.16 3kow h ILE 33 N -0.03 0.53 0.00 1.86 2.04 -0.98 -3.10 117.51 117.83 3kow h ILE 33 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3kow h ILE 33 Cb 0.02 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3kow h ILE 33 CO 0.00 0.00 -0.29 -0.37 0.00 0.00 0.00 178.15 177.49 3kow h VAL 34 N -0.12 0.20 -0.34 1.67 -1.51 -1.42 -3.36 116.25 111.37 3kow h VAL 34 Ca 0.16 -1.30 0.08 0.00 -1.23 0.00 0.00 66.70 64.40 3kow h VAL 34 Cb 0.35 2.02 -0.08 0.00 -2.13 0.00 0.00 31.29 31.46 3kow h VAL 34 CO -0.37 0.12 -0.20 0.44 -1.23 0.00 0.00 177.57 176.33 3kow h ASP 35 N 0.00 -0.65 -0.98 4.19 3.32 -1.33 0.30 116.42 121.28 3kow h ASP 35 Ca -0.01 0.14 0.23 0.00 0.02 0.00 0.00 57.03 57.41 3kow h ASP 35 Cb 1.10 0.34 -0.08 0.00 0.22 0.00 0.00 39.33 40.91 3kow h ASP 35 CO 0.02 -0.23 0.63 -0.65 -1.72 0.00 0.00 179.24 177.29 3kow h PRO 36 N -0.15 0.43 -0.10 3.56 0.11 -1.73 -0.51 132.00 133.61 3kow h PRO 36 Ca 0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kow h PRO 36 Cb 0.41 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3kow h PRO 36 CO -0.43 0.28 0.05 -0.07 -0.21 0.00 0.00 178.00 177.62 3kow h LEU 37 N 0.44 0.14 -1.60 2.35 3.38 -0.65 -1.73 115.31 117.64 3kow h LEU 37 Ca 0.53 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 3kow h LEU 37 Cb 1.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kow h LEU 37 CO -0.25 0.23 -0.21 -0.07 0.09 0.00 0.00 178.44 178.24 3kow h LEU 38 N 0.03 0.00 0.24 1.67 3.38 -0.09 -1.45 115.31 119.09 3kow h LEU 38 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kow h LEU 38 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kow h LEU 38 CO -0.00 0.21 -0.11 -0.78 0.09 0.00 0.00 178.44 177.84 3kow h ASP 39 N 0.00 -0.27 -1.07 -0.43 3.58 -1.08 -2.69 116.42 114.46 3kow h ASP 39 Ca -0.00 -0.22 0.31 0.00 0.42 0.00 0.00 57.03 57.54 3kow h ASP 39 Cb 0.48 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 3kow h ASP 39 CO 0.03 0.10 1.04 -0.07 -2.88 0.00 0.00 179.24 177.45 3kow h LEU 40 N -0.68 0.00 0.00 2.28 3.38 -0.36 0.26 115.31 120.20 3kow h LEU 40 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3kow h LEU 40 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3kow h LEU 40 CO 0.05 0.00 -1.19 1.23 0.09 0.00 0.00 178.44 178.62 3kow h GLY 41 N 0.00 0.00 1.05 0.83 0.00 -1.08 -3.07 103.07 100.81 3kow h GLY 41 Ca 0.51 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.65 3kow h GLY 41 CO -0.01 0.00 -0.62 0.50 0.00 0.00 0.00 176.54 176.41 3kow h LYS 42 N 0.00 0.71 0.00 4.80 1.57 -0.18 -3.37 116.57 120.10 3kow h LYS 42 Ca -0.12 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 3kow h LYS 42 Cb 1.53 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3kow h LYS 42 CO 0.05 1.16 -1.13 1.63 -0.57 0.00 0.00 179.45 180.60 3kow n LYS 43 N -4.07 0.12 -4.59 3.15 5.02 -1.06 -4.97 118.16 111.76 3kow n LYS 43 Ca -0.07 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 55.92 3kow n LYS 43 Cb 0.66 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 34.05 3kow n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kow s ASN 44 N -3.30 3.59 0.28 4.39 0.01 -1.16 -5.11 114.94 113.64 3kow s ASN 44 Ca 0.05 -1.38 -0.04 0.00 -0.71 0.00 0.00 52.86 50.79 3kow s ASN 44 Cb 0.16 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.48 3kow s ASN 44 CO 0.86 -0.49 0.38 0.28 -1.51 0.00 0.00 177.10 176.62 3kow s THR 45 N -2.83 0.00 0.04 1.60 -1.32 -1.26 -4.84 115.64 107.03 3kow s THR 45 Ca 0.35 -1.68 -0.15 0.00 -1.21 0.00 0.00 61.69 59.00 3kow s THR 45 Cb 0.10 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.64 3kow s THR 45 CO 0.17 0.00 0.33 0.42 -2.21 0.00 0.00 174.62 173.33 3kow s THR 46 N -3.61 0.07 0.45 5.08 -4.23 -1.26 -5.04 115.64 107.10 3kow s THR 46 Ca 0.31 -0.61 0.23 0.00 -1.18 0.00 0.00 61.69 60.44 3kow s THR 46 Cb 0.02 -0.90 0.43 0.00 1.34 0.00 0.00 72.50 73.38 3kow s THR 46 CO 0.16 -0.33 1.83 -0.65 -0.54 0.00 0.00 174.62 175.08 3kow h PRO 47 N 3.26 0.26 -0.31 3.99 0.11 -1.98 0.25 132.00 137.58 3kow h PRO 47 Ca -0.31 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 3kow h PRO 47 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kow h PRO 47 CO 0.45 0.17 -0.50 0.66 -0.21 0.00 0.00 178.00 178.57 3kow h SER 48 N 0.27 0.97 -0.72 -2.05 4.64 -1.99 -0.62 113.55 114.06 3kow h SER 48 Ca 0.51 -0.50 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3kow h SER 48 Cb 1.52 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 3kow h SER 48 CO -0.16 1.29 0.41 0.40 -0.87 0.00 0.00 176.83 177.90 3kow h ILE 49 N 0.69 1.22 -0.45 0.95 2.04 -1.42 -2.19 117.51 118.34 3kow h ILE 49 Ca 0.03 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 3kow h ILE 49 Cb 1.11 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3kow h ILE 49 CO 0.11 0.23 -0.01 -0.33 0.00 0.00 0.00 178.15 178.15 3kow h GLU 50 N 0.98 0.81 -0.80 2.37 4.39 -1.11 -1.99 114.58 119.23 3kow h GLU 50 Ca 0.25 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.74 3kow h GLU 50 Cb 0.02 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 3kow h GLU 50 CO -0.04 0.87 0.50 0.00 -1.16 0.00 0.00 179.01 179.18 3kow h ARG 51 N 0.65 0.91 -0.12 2.33 3.08 -0.95 -1.39 114.38 118.89 3kow h ARG 51 Ca 0.13 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3kow h ARG 51 Cb 0.52 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kow h ARG 51 CO 0.03 0.60 -0.33 0.66 -1.07 0.00 0.00 179.97 179.86 3kow h SER 52 N 0.93 0.23 -0.37 7.04 4.64 -1.14 0.36 113.55 125.25 3kow h SER 52 Ca 0.34 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3kow h SER 52 Cb 0.11 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3kow h SER 52 CO -0.15 0.55 0.19 0.58 -0.87 0.00 0.00 176.83 177.13 3kow h VAL 53 N 0.20 1.16 0.00 0.95 2.07 -0.73 -2.59 116.25 117.30 3kow h VAL 53 Ca 0.03 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3kow h VAL 53 Cb 0.69 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3kow h VAL 53 CO 0.05 0.17 -0.26 -0.07 0.02 0.00 0.00 177.57 177.48 3kow h LEU 54 N 0.47 0.00 -0.22 2.57 3.38 -0.47 -1.32 115.31 119.73 3kow h LEU 54 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kow h LEU 54 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kow h LEU 54 CO -0.02 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.95 3kow n LEU 55 N -4.16 0.58 0.00 1.67 4.77 0.12 -1.52 117.00 118.46 3kow n LEU 55 Ca -0.02 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 3kow n LEU 55 Cb 0.31 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 3kow n LEU 55 CO 0.37 -0.28 -0.63 0.54 -1.33 0.00 0.00 177.39 176.06 3kow n ARG 56 N -2.08 0.65 0.11 3.23 1.74 -0.57 -3.93 116.66 115.81 3kow n ARG 56 Ca 0.05 -0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.15 3kow n ARG 56 Cb 0.33 -1.60 0.21 0.00 -1.02 0.00 0.00 32.46 30.38 3kow n ARG 56 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3kow h MET 57 N 0.00 0.00 0.00 5.56 2.86 -1.24 -3.47 114.93 118.63 3kow h MET 57 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3kow h MET 57 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3kow h MET 57 CO 0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.39 3kow n GLY 58 N 1.27 1.80 3.89 8.32 0.00 -1.17 -4.93 105.19 114.37 3kow n GLY 58 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3kow n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kow s PHE 59 N -2.00 3.48 0.84 1.61 0.08 -0.58 -5.04 117.98 116.37 3kow s PHE 59 Ca 0.00 0.58 -0.11 0.00 0.12 0.00 0.00 56.93 57.51 3kow s PHE 59 Cb 0.00 -2.02 0.09 0.00 -0.57 0.00 0.00 43.02 40.52 3kow s PHE 59 CO 0.00 0.44 1.09 -1.54 -0.10 0.00 0.00 175.22 175.11 3kow s SER 60 N -2.37 4.05 0.41 1.36 1.04 -1.26 -4.29 113.70 112.64 3kow s SER 60 Ca 0.40 1.47 0.12 0.00 0.48 0.00 0.00 55.95 58.42 3kow s SER 60 Cb -0.12 -2.18 0.94 0.00 0.10 0.00 0.00 66.02 64.76 3kow s SER 60 CO 0.24 -2.27 1.95 0.77 0.98 0.00 0.00 173.24 174.91 3kow h SER 61 N -1.29 0.47 0.13 7.02 4.64 -1.96 0.38 113.55 122.94 3kow h SER 61 Ca -0.48 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3kow h SER 61 Cb 1.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kow h SER 61 CO 0.56 0.28 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.66 3kow h LEU 62 N 0.52 -0.15 -0.88 5.97 3.38 -1.99 -1.65 115.31 120.51 3kow h LEU 62 Ca 0.32 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kow h LEU 62 Cb 0.55 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3kow h LEU 62 CO -0.10 0.26 0.57 -0.33 0.09 0.00 0.00 178.44 178.93 3kow h GLU 63 N -0.60 1.09 0.30 1.13 5.08 -1.80 -2.07 114.58 117.72 3kow h GLU 63 Ca -0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kow h GLU 63 Cb 0.46 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3kow h GLU 63 CO 0.03 0.72 -0.28 0.00 -1.00 0.00 0.00 179.01 178.48 3kow h ALA 64 N 1.35 -0.60 -0.94 3.43 0.00 -0.28 -2.91 119.26 119.30 3kow h ALA 64 Ca 0.34 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.34 3kow h ALA 64 Cb -0.03 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 3kow h ALA 64 CO -0.10 -0.87 0.53 -0.22 0.00 0.00 0.00 179.25 178.59 3kow h LYS 65 N -0.61 0.64 -0.01 0.00 1.63 -0.71 -2.31 116.57 115.21 3kow h LYS 65 Ca -0.01 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.57 3kow h LYS 65 Cb 0.55 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 3kow h LYS 65 CO -0.05 0.43 -0.78 0.00 -3.45 0.00 0.00 179.45 175.60 3kow h ALA 66 N 1.63 0.67 0.00 5.00 0.00 -1.30 -2.06 119.26 123.21 3kow h ALA 66 Ca 0.55 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kow h ALA 66 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kow h ALA 66 CO -0.40 0.89 -0.00 0.82 0.00 0.00 0.00 179.25 180.56 3kow h ILE 67 N 0.07 1.56 -0.77 0.00 2.04 -1.26 -2.83 117.51 116.32 3kow h ILE 67 Ca -0.02 -1.67 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 3kow h ILE 67 Cb 1.37 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 40.10 3kow h ILE 67 CO 0.11 0.43 0.47 0.58 0.00 0.00 0.00 178.15 179.74 3kow h VAL 68 N -0.71 1.21 -0.78 1.67 2.07 -1.49 0.54 116.25 118.76 3kow h VAL 68 Ca -0.00 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3kow h VAL 68 Cb 0.71 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3kow h VAL 68 CO 0.00 0.22 0.51 0.44 0.02 0.00 0.00 177.57 178.76 3kow h ASP 69 N 1.05 0.61 0.17 0.57 3.32 -1.44 -1.20 116.42 119.50 3kow h ASP 69 Ca 0.28 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3kow h ASP 69 Cb -0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3kow h ASP 69 CO -0.05 0.36 -0.08 0.11 -1.72 0.00 0.00 179.24 177.86 3kow h LYS 70 N 0.68 -0.22 -0.28 3.56 1.57 -0.88 -3.02 116.57 117.98 3kow h LYS 70 Ca 0.36 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.22 3kow h LYS 70 Cb 0.49 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 3kow h LYS 70 CO -0.14 -0.14 -0.05 2.41 -0.57 0.00 0.00 179.45 180.96 3kow n THR 71 N -4.66 -0.12 0.01 -0.16 -1.04 0.17 0.19 114.28 108.67 3kow n THR 71 Ca -0.03 0.64 -0.14 0.00 -2.04 0.00 0.00 64.05 62.48 3kow n THR 71 Cb 0.09 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 3kow n THR 71 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3kow h MET 72 N 0.00 0.63 0.00 -2.82 2.86 -1.33 0.37 114.93 114.64 3kow h MET 72 Ca 0.15 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3kow h MET 72 Cb 0.25 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3kow h MET 72 CO -0.29 1.14 0.00 -3.47 1.06 0.00 0.00 176.91 175.36 3kow n ASP 73 N -3.89 0.29 -0.54 1.22 2.03 0.49 -0.37 116.55 115.78 3kow n ASP 73 Ca -0.06 0.62 0.07 0.00 0.52 0.00 0.00 54.79 55.93 3kow n ASP 73 Cb 0.73 -0.66 0.17 0.00 -0.72 0.00 0.00 41.12 40.64 3kow n ASP 73 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kow n ARG 74 N -1.87 2.66 -4.05 -0.67 5.12 -0.56 -4.97 116.66 112.32 3kow n ARG 74 Ca 0.00 -2.35 -0.42 0.00 -1.93 0.00 0.00 57.85 53.16 3kow n ARG 74 Cb 0.07 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 29.89 3kow n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kow n GLY 75 N -0.33 -0.74 0.09 -0.13 0.00 0.50 -4.81 105.19 99.77 3kow n GLY 75 Ca 0.14 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.51 3kow n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kow n LEU 76 N -4.85 1.44 -0.18 0.99 7.94 0.09 -4.72 117.00 117.70 3kow n LEU 76 Ca -0.15 -1.78 -0.06 0.00 -1.11 0.00 0.00 56.01 52.92 3kow n LEU 76 Cb 0.59 -0.12 0.04 0.00 0.53 0.00 0.00 43.42 44.46 3kow n LEU 76 CO 0.75 0.43 1.08 0.24 -1.11 0.00 0.00 177.39 178.77 3kow h MET 77 N 0.00 0.64 -0.85 1.96 2.86 -1.87 -2.91 114.93 114.76 3kow h MET 77 Ca 0.00 -0.04 0.25 0.00 -2.06 0.00 0.00 59.70 57.85 3kow h MET 77 Cb 0.86 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3kow h MET 77 CO 0.00 0.42 0.75 0.78 1.06 0.00 0.00 176.91 179.93 3kow h GLY 78 N 0.66 0.00 0.44 8.32 0.00 -1.93 0.22 103.07 110.77 3kow h GLY 78 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kow h GLY 78 CO -0.08 0.00 -0.21 0.28 0.00 0.00 0.00 176.54 176.53 3kow n LYS 79 N -3.84 0.79 -0.45 4.80 4.76 -1.10 -5.02 118.16 118.11 3kow n LYS 79 Ca 0.18 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 3kow n LYS 79 Cb 1.04 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 3kow n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kow n GLY 80 N 1.32 -2.92 0.33 0.72 0.00 0.78 -4.37 105.19 101.05 3kow n GLY 80 Ca 0.13 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3kow n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow h ALA 81 N 0.00 2.03 -0.38 4.61 0.00 -1.82 -0.16 119.26 123.54 3kow h ALA 81 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3kow h ALA 81 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kow h ALA 81 CO 0.00 -0.11 -0.29 0.78 0.00 0.00 0.00 179.25 179.63 3kow h GLY 82 N 0.27 0.95 1.33 0.00 0.00 -1.88 -2.65 103.07 101.09 3kow h GLY 82 Ca 0.18 -0.92 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 3kow h GLY 82 CO -0.04 0.84 0.00 0.84 0.00 0.00 0.00 176.54 178.18 3kow h HIS 83 N 0.68 0.88 -0.37 5.60 6.17 -1.59 -2.07 115.15 124.44 3kow h HIS 83 Ca 0.07 -0.12 0.07 0.00 0.71 0.00 0.00 60.37 61.09 3kow h HIS 83 Cb 0.87 -0.24 -0.06 0.00 2.52 0.00 0.00 27.41 30.50 3kow h HIS 83 CO 0.06 0.80 0.02 0.82 0.71 0.00 0.00 177.93 180.34 3kow h ILE 84 N 0.77 0.74 0.00 6.26 1.08 -0.90 -1.43 117.51 124.02 3kow h ILE 84 Ca 0.15 -0.04 -0.04 0.00 -0.39 0.00 0.00 64.86 64.54 3kow h ILE 84 Cb 0.46 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3kow h ILE 84 CO 0.02 0.02 -0.17 0.58 -0.69 0.00 0.00 178.15 177.91 3kow h VAL 85 N 0.12 0.39 0.13 1.67 2.07 -1.13 -3.10 116.25 116.41 3kow h VAL 85 Ca 0.18 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3kow h VAL 85 Cb 0.25 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3kow h VAL 85 CO -0.29 0.17 -0.06 0.22 0.02 0.00 0.00 177.57 177.63 3kow h TYR 86 N 0.00 -0.16 -0.89 1.57 3.20 -0.60 -3.07 116.97 117.03 3kow h TYR 86 Ca -0.00 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.02 3kow h TYR 86 Cb 0.78 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 39.01 3kow h TYR 86 CO 0.00 -0.10 0.48 0.87 -1.64 0.00 0.00 178.16 177.77 3kow h LYS 87 N -0.67 0.64 0.46 1.82 1.79 -1.41 -0.45 116.57 118.75 3kow h LYS 87 Ca -0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3kow h LYS 87 Cb 0.13 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 3kow h LYS 87 CO 0.03 0.42 -0.51 0.82 -1.08 0.00 0.00 179.45 179.13 3kow h ILE 88 N 0.66 0.00 -1.12 1.86 1.08 -1.69 0.17 117.51 118.48 3kow h ILE 88 Ca 0.49 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 65.29 3kow h ILE 88 Cb 0.72 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 3kow h ILE 88 CO -0.37 0.00 0.85 0.00 -0.69 0.00 0.00 178.15 177.93 3kow h ALA 89 N -0.87 3.03 0.16 1.87 0.00 -1.02 -0.70 119.26 121.73 3kow h ALA 89 Ca -0.06 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3kow h ALA 89 Cb 0.86 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.76 3kow h ALA 89 CO -0.09 -1.42 -1.04 0.87 0.00 0.00 0.00 179.25 177.57 3kow h LYS 90 N 0.00 0.35 0.56 0.00 1.57 -0.09 -1.55 116.57 117.41 3kow h LYS 90 Ca 0.53 -0.59 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3kow h LYS 90 Cb 2.21 0.22 0.01 0.00 0.08 0.00 0.00 32.23 34.75 3kow h LYS 90 CO -0.01 1.28 -0.27 0.93 -0.57 0.00 0.00 179.45 180.82 3kow h GLU 91 N -0.25 -0.73 -0.84 3.15 4.39 0.68 -3.12 114.58 117.86 3kow h GLU 91 Ca -0.19 0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 3kow h GLU 91 Cb 1.77 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 30.53 3kow h GLU 91 CO 0.17 -0.45 0.13 1.63 -1.16 0.00 0.00 179.01 179.33 3kow n LYS 92 N -5.38 2.75 -2.61 2.33 4.76 -0.50 -4.94 118.16 114.57 3kow n LYS 92 Ca -0.12 -1.81 -0.04 0.00 -2.87 0.00 0.00 58.31 53.47 3kow n LYS 92 Cb 0.33 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 3kow n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kow n ASN 93 N 0.08 -0.66 -4.52 4.39 4.13 -1.04 -4.96 115.26 112.68 3kow n ASN 93 Ca 0.23 -0.13 -0.25 0.00 1.68 0.00 0.00 54.58 56.11 3kow n ASN 93 Cb 0.94 -0.22 -0.10 0.00 -1.54 0.00 0.00 39.78 38.86 3kow n ASN 93 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3kow s ILE 94 N -2.04 2.12 0.31 2.41 -4.36 -0.61 -5.04 121.20 114.01 3kow s ILE 94 Ca 0.00 -2.20 -0.29 0.00 -0.26 0.00 0.00 60.65 57.91 3kow s ILE 94 Cb -0.00 -2.59 -0.10 0.00 1.25 0.00 0.00 42.46 41.02 3kow s ILE 94 CO 0.12 -0.23 1.27 -0.94 0.24 0.00 0.00 174.94 175.41 3kow s SER 95 N -3.57 6.86 0.31 4.36 1.04 -1.26 -4.68 113.70 116.77 3kow s SER 95 Ca 0.32 2.60 0.08 0.00 0.48 0.00 0.00 55.95 59.43 3kow s SER 95 Cb 0.02 -2.64 0.89 0.00 0.10 0.00 0.00 66.02 64.39 3kow s SER 95 CO 0.15 -0.47 1.67 0.58 0.98 0.00 0.00 173.24 176.15 3kow h VAL 96 N 3.09 0.34 0.00 5.02 2.07 -1.90 -0.00 116.25 124.87 3kow h VAL 96 Ca -0.48 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kow h VAL 96 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kow h VAL 96 CO 0.66 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 177.17 3kow n ARG 97 N -5.10 0.00 0.28 1.57 3.00 -1.26 -2.08 116.66 113.07 3kow n ARG 97 Ca 0.26 0.64 0.13 0.00 -0.00 0.00 0.00 57.85 58.88 3kow n ARG 97 Cb 0.82 -1.47 0.81 0.00 0.00 0.00 0.00 32.46 32.63 3kow n ARG 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3kow h GLU 98 N 0.00 0.00 0.00 -0.14 4.39 -1.70 0.34 114.58 117.46 3kow h GLU 98 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3kow h GLU 98 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3kow h GLU 98 CO 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 179.01 177.59 3kow h ALA 99 N 1.99 1.22 0.19 3.43 0.00 -0.93 0.13 119.26 125.29 3kow h ALA 99 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.37 3kow h ALA 99 Cb 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kow h ALA 99 CO -0.00 0.32 -1.48 0.78 0.00 0.00 0.00 179.25 178.87 3kow h GLY 100 N 1.33 0.47 1.42 0.00 0.00 0.13 -2.41 103.07 104.01 3kow h GLY 100 Ca -0.00 -1.19 0.04 0.00 0.00 0.00 0.00 47.33 46.18 3kow h GLY 100 CO 0.03 1.04 0.25 1.41 0.00 0.00 0.00 176.54 179.28 3kow h LEU 101 N -0.02 0.00 0.00 3.11 4.07 -0.54 -2.20 115.31 119.73 3kow h LEU 101 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 3kow h LEU 101 Cb 2.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.74 3kow h LEU 101 CO 0.19 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.55 3kow n ALA 102 N -2.18 -0.10 -0.30 1.53 0.00 0.40 -4.10 120.51 115.76 3kow n ALA 102 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.66 3kow n ALA 102 Cb 0.35 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.31 3kow n ALA 102 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kow h LEU 103 N 0.00 0.44 0.00 0.00 3.38 -1.30 0.30 115.31 118.13 3kow h LEU 103 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kow h LEU 103 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kow h LEU 103 CO 0.00 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 3kow n SER 104 N -4.57 0.00 0.00 -0.43 3.41 -0.84 0.04 113.62 111.22 3kow n SER 104 Ca 0.23 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3kow n SER 104 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 3kow n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kow n GLU 105 N -0.67 0.03 -0.40 4.33 1.02 0.09 -4.80 120.64 120.24 3kow n GLU 105 Ca 0.02 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 3kow n GLU 105 Cb 0.01 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 3kow n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kow n GLY 106 N -0.05 0.78 3.88 0.62 0.00 0.11 -5.07 105.19 105.45 3kow n GLY 106 Ca 0.00 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3kow n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kow s LYS 107 N -0.70 3.56 0.00 1.61 1.02 -1.23 -4.36 119.74 119.64 3kow s LYS 107 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.92 3kow s LYS 107 Cb 0.00 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3kow s LYS 107 CO 0.00 0.69 0.00 0.66 -0.92 0.00 0.00 175.35 175.78 3kow n TYR 108 N 1.39 0.00 -0.01 3.18 4.01 -1.26 -3.71 117.16 120.76 3kow n TYR 108 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.48 3kow n TYR 108 Cb 0.53 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.48 3kow n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kow h TRP 109 N 0.00 0.07 -0.85 -0.72 4.06 -1.95 0.14 115.95 116.69 3kow h TRP 109 Ca 0.00 -0.01 0.21 0.00 2.06 0.00 0.00 58.89 61.15 3kow h TRP 109 Cb 0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 29.16 28.01 3kow h TRP 109 CO 0.00 0.38 0.25 -0.44 -3.56 0.00 0.00 178.44 175.07 3kow h ASP 110 N -0.26 0.06 -0.17 -3.49 3.32 -1.91 0.16 116.42 114.14 3kow h ASP 110 Ca 0.01 0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3kow h ASP 110 Cb 0.35 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3kow h ASP 110 CO 0.00 -0.10 -0.13 0.44 -1.72 0.00 0.00 179.24 177.73 3kow h ASP 111 N 0.26 0.53 0.25 6.45 5.19 -1.73 -3.19 116.42 124.17 3kow h ASP 111 Ca 0.52 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 3kow h ASP 111 Cb 1.01 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3kow h ASP 111 CO -0.60 0.69 -0.12 0.00 -3.12 0.00 0.00 179.24 176.09 3kow h ALA 112 N 1.36 -0.33 0.00 3.45 0.00 0.20 -3.17 119.26 120.77 3kow h ALA 112 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kow h ALA 112 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kow h ALA 112 CO 0.03 -0.58 0.56 -0.89 0.00 0.00 0.00 179.25 178.37 3kow n ILE 113 N -5.14 0.17 -0.03 0.00 5.41 -0.72 -5.11 119.36 113.94 3kow n ILE 113 Ca -0.09 0.63 0.00 0.00 1.00 0.00 0.00 62.75 64.28 3kow n ILE 113 Cb 0.22 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 3kow n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55