#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 0.00 0.00 -0.67 3.57 -2.05 -1.77 116.94 116.02 3kow h PHE 7 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3kow h PHE 7 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3kow h PHE 7 CO 0.00 0.06 -0.12 0.37 -2.23 0.00 0.00 178.31 176.38 3kow h GLN 8 N 0.00 0.00 0.03 1.11 5.75 -2.07 -2.73 115.11 117.20 3kow h GLN 8 Ca -0.00 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 3kow h GLN 8 Cb 0.15 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 3kow h GLN 8 CO 0.01 0.12 -2.24 1.04 -2.65 0.00 0.00 178.83 175.11 3kow n GLN 9 N -3.59 0.68 0.31 1.69 6.02 -0.68 -4.17 117.38 117.64 3kow n GLN 9 Ca -0.02 0.16 0.20 0.00 -0.01 0.00 0.00 57.00 57.34 3kow n GLN 9 Cb 0.25 -1.60 0.99 0.00 1.02 0.00 0.00 30.24 30.90 3kow n GLN 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kow h ARG 10 N 0.02 0.00 -0.07 -1.09 3.08 -1.43 -2.00 114.38 112.88 3kow h ARG 10 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3kow h ARG 10 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 3kow h ARG 10 CO 0.00 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 181.80 3kow n ARG 11 N -3.11 1.76 -0.15 0.04 1.85 -1.04 -4.43 116.66 111.59 3kow n ARG 11 Ca -0.01 -1.12 -0.08 0.00 -1.00 0.00 0.00 57.85 55.64 3kow n ARG 11 Cb 0.17 -1.46 0.01 0.00 -1.05 0.00 0.00 32.46 30.14 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 4.30 0.58 0.00 2.89 0.00 -1.54 -2.43 119.26 123.06 3kow h ALA 12 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kow h ALA 12 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kow h ALA 12 CO 0.00 0.04 0.00 -2.39 0.00 0.00 0.00 179.25 176.90 3kow n HIS 13 N -4.75 0.00 -0.02 0.00 1.44 -1.26 -2.09 115.22 108.53 3kow n HIS 13 Ca 0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 3kow n HIS 13 Cb 0.03 -0.22 -0.16 0.00 0.12 0.00 0.00 29.99 29.77 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 -1.22 0.00 -0.36 2.39 4.77 -1.07 -4.54 117.00 116.98 3kow n LEU 14 Ca 0.16 0.00 0.34 0.00 -0.03 0.00 0.00 56.01 56.48 3kow n LEU 14 Cb 0.20 0.07 0.71 0.00 -2.33 0.00 0.00 43.42 42.06 3kow n LEU 14 CO 0.21 0.07 1.31 0.00 -1.33 0.00 0.00 177.39 177.65 3kow h ALA 15 N 1.75 3.00 0.04 -1.18 0.00 -0.94 -0.19 119.26 121.75 3kow h ALA 15 Ca -0.07 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 3kow h ALA 15 Cb 1.11 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3kow h ALA 15 CO 0.00 -1.39 -1.40 -0.91 0.00 0.00 0.00 179.25 175.56 3kow h ASN 16 N 0.07 0.14 -3.27 0.00 -0.26 -1.80 -3.47 115.58 106.99 3kow h ASN 16 Ca 0.61 -0.19 -0.58 0.00 -0.56 0.00 0.00 56.30 55.58 3kow h ASN 16 Cb 2.26 -0.04 0.14 0.00 -1.06 0.00 0.00 38.32 39.61 3kow h ASN 16 CO -0.08 1.16 0.20 0.18 -1.06 0.00 0.00 177.43 177.83 3kow n LEU 17 N -3.29 3.09 -4.80 1.61 4.77 -0.08 -4.98 117.00 113.31 3kow n LEU 17 Ca -0.11 0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 56.56 3kow n LEU 17 Cb 1.01 -1.38 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 3kow n LEU 17 CO 0.47 -1.45 0.71 -0.94 -1.33 0.00 0.00 177.39 174.85 3kow s SER 18 N -0.83 4.58 0.63 -1.43 1.04 -1.26 -4.80 113.70 111.63 3kow s SER 18 Ca 0.66 1.38 0.36 0.00 0.48 0.00 0.00 55.95 58.83 3kow s SER 18 Cb -0.51 -2.14 2.09 0.00 0.10 0.00 0.00 66.02 65.56 3kow s SER 18 CO 0.55 -1.92 2.30 0.44 0.98 0.00 0.00 173.24 175.58 3kow h ASP 19 N -1.05 0.00 0.30 7.02 3.32 -1.98 -0.79 116.42 123.23 3kow h ASP 19 Ca -0.46 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.43 3kow h ASP 19 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 3kow h ASP 19 CO 0.58 0.00 -1.85 -0.62 -1.72 0.00 0.00 179.24 175.64 3kow n GLU 20 N -3.49 0.65 -0.03 3.56 4.71 -1.26 -2.58 120.64 122.20 3kow n GLU 20 Ca -0.03 0.02 -0.14 0.00 -0.01 0.00 0.00 57.16 57.00 3kow n GLU 20 Cb 0.09 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 28.86 3kow n GLU 20 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3kow h GLU 21 N 0.00 0.74 0.08 3.49 5.08 -1.75 -0.82 114.58 121.39 3kow h GLU 21 Ca -0.21 -0.53 0.02 0.00 -1.00 0.00 0.00 59.36 57.64 3kow h GLU 21 Cb 1.54 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 3kow h GLU 21 CO 0.02 1.15 -0.20 1.25 -1.00 0.00 0.00 179.01 180.24 3kow h LEU 22 N 0.54 -0.55 -0.42 1.33 5.85 -1.25 0.88 115.31 121.69 3kow h LEU 22 Ca -0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3kow h LEU 22 Cb 1.25 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 3kow h LEU 22 CO 0.13 -0.27 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.29 3kow h GLN 23 N -0.36 0.04 -0.38 1.25 4.15 -1.49 0.09 115.11 118.42 3kow h GLN 23 Ca 0.03 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.51 3kow h GLN 23 Cb 0.39 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 3kow h GLN 23 CO -0.13 0.03 0.06 1.15 -1.93 0.00 0.00 178.83 178.01 3kow h THR 24 N 0.04 0.78 -0.22 2.39 2.02 -0.77 -2.44 112.91 114.73 3kow h THR 24 Ca 0.21 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.34 3kow h THR 24 Cb 0.31 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3kow h THR 24 CO -0.40 0.03 0.08 -0.09 0.37 0.00 0.00 175.52 175.51 3kow h ARG 25 N 0.18 0.18 -0.49 6.66 2.43 -0.08 -2.51 114.38 120.76 3kow h ARG 25 Ca 0.19 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3kow h ARG 25 Cb 0.23 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 3kow h ARG 25 CO -0.26 0.12 -0.34 0.35 -1.51 0.00 0.00 179.97 178.33 3kow h PHE 26 N 0.19 -1.08 0.00 2.20 3.57 -0.62 -1.75 116.94 119.44 3kow h PHE 26 Ca 0.09 0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3kow h PHE 26 Cb 0.05 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3kow h PHE 26 CO -0.11 -0.24 -0.37 -1.49 -2.23 0.00 0.00 178.31 173.87 3kow h TRP 27 N -0.07 0.00 0.01 0.41 4.06 -1.23 -1.66 115.95 117.48 3kow h TRP 27 Ca 0.08 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.83 3kow h TRP 27 Cb 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 3kow h TRP 27 CO -0.90 0.37 -0.89 1.05 -3.56 0.00 0.00 178.44 174.51 3kow h GLU 28 N 0.00 0.12 -0.69 0.49 4.11 -1.26 -1.27 114.58 116.09 3kow h GLU 28 Ca -0.00 -0.15 -0.05 0.00 0.07 0.00 0.00 59.36 59.23 3kow h GLU 28 Cb 0.85 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3kow h GLU 28 CO 0.05 0.93 0.22 0.52 0.07 0.00 0.00 179.01 180.80 3kow h MET 29 N 0.06 1.06 0.05 1.06 2.86 -0.87 -0.41 114.93 118.74 3kow h MET 29 Ca -0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3kow h MET 29 Cb 1.54 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 3kow h MET 29 CO 0.13 0.90 -0.16 0.00 1.06 0.00 0.00 176.91 178.84 3kow h ALA 30 N 1.21 -0.71 -1.08 6.32 0.00 -1.12 0.04 119.26 123.93 3kow h ALA 30 Ca 0.23 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.42 3kow h ALA 30 Cb 0.28 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 3kow h ALA 30 CO -0.01 -0.75 0.66 1.49 0.00 0.00 0.00 179.25 180.65 3kow h GLU 31 N -0.24 0.31 -0.11 0.00 4.81 -1.16 0.33 114.58 118.53 3kow h GLU 31 Ca -0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3kow h GLU 31 Cb 0.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3kow h GLU 31 CO -0.08 0.21 -0.33 -0.22 -0.73 0.00 0.00 179.01 177.86 3kow h LYS 32 N 0.32 0.22 0.00 1.92 3.64 -0.67 -2.57 116.57 119.43 3kow h LYS 32 Ca 0.70 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.82 3kow h LYS 32 Cb 1.77 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.55 3kow h LYS 32 CO -0.46 0.53 -0.83 0.82 -2.27 0.00 0.00 179.45 177.24 3kow h ILE 33 N 0.19 1.57 0.00 2.00 2.04 0.17 -3.38 117.51 120.11 3kow h ILE 33 Ca 0.02 -2.78 -0.12 0.00 1.00 0.00 0.00 64.86 62.98 3kow h ILE 33 Cb 0.68 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 3kow h ILE 33 CO 0.05 0.80 -2.02 1.33 0.00 0.00 0.00 178.15 178.31 3kow n VAL 34 N -3.58 0.54 -0.15 1.67 0.24 -0.93 -4.49 118.33 111.62 3kow n VAL 34 Ca -0.01 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.34 61.64 3kow n VAL 34 Cb 0.79 -0.21 0.06 0.00 -1.47 0.00 0.00 33.84 33.01 3kow n VAL 34 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kow h ASP 35 N 0.00 0.04 -0.86 -1.34 3.32 -1.63 0.35 116.42 116.31 3kow h ASP 35 Ca -0.18 0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.18 3kow h ASP 35 Cb 1.42 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 41.02 3kow h ASP 35 CO 0.01 0.05 0.59 -0.65 -1.72 0.00 0.00 179.24 177.53 3kow h PRO 36 N 0.26 0.18 0.03 3.56 0.10 -1.82 0.64 132.00 134.96 3kow h PRO 36 Ca 0.24 -0.01 -0.21 0.00 0.10 0.00 0.00 66.00 66.12 3kow h PRO 36 Cb 0.31 -0.04 0.02 0.00 0.10 0.00 0.00 31.00 31.38 3kow h PRO 36 CO -0.30 0.12 -0.85 -0.07 0.10 0.00 0.00 178.00 177.00 3kow h LEU 37 N 0.18 0.69 -1.61 2.35 3.38 -0.64 -2.16 115.31 117.50 3kow h LEU 37 Ca 0.43 -0.78 0.08 0.00 0.09 0.00 0.00 57.88 57.69 3kow h LEU 37 Cb 1.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3kow h LEU 37 CO -0.08 1.39 0.38 -0.07 0.09 0.00 0.00 178.44 180.15 3kow h LEU 38 N 0.07 0.41 0.25 1.67 3.38 0.17 -2.18 115.31 119.08 3kow h LEU 38 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kow h LEU 38 Cb 1.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3kow h LEU 38 CO 0.17 0.26 -0.12 -0.78 0.09 0.00 0.00 178.44 178.06 3kow h ASP 39 N 0.46 -0.28 -0.96 -0.43 3.58 -0.82 -1.52 116.42 116.46 3kow h ASP 39 Ca 0.26 -0.24 0.30 0.00 0.42 0.00 0.00 57.03 57.77 3kow h ASP 39 Cb 0.41 0.07 -0.15 0.00 1.72 0.00 0.00 39.33 41.38 3kow h ASP 39 CO -0.07 0.15 0.41 -0.07 -2.88 0.00 0.00 179.24 176.78 3kow h LEU 40 N -0.79 0.23 -0.91 2.28 3.38 -1.20 0.31 115.31 118.60 3kow h LEU 40 Ca -0.03 0.21 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3kow h LEU 40 Cb 0.51 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3kow h LEU 40 CO 0.06 -0.20 -0.19 1.23 0.09 0.00 0.00 178.44 179.43 3kow h GLY 41 N 0.22 0.63 1.61 0.83 0.00 -1.03 -2.86 103.07 102.47 3kow h GLY 41 Ca 0.68 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 3kow h GLY 41 CO -0.67 0.45 -0.50 0.50 0.00 0.00 0.00 176.54 176.32 3kow h LYS 42 N 0.52 0.42 -0.23 4.80 1.57 0.64 -3.35 116.57 120.94 3kow h LYS 42 Ca 0.08 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kow h LYS 42 Cb 0.62 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kow h LYS 42 CO 0.04 0.82 0.00 0.36 -0.57 0.00 0.00 179.45 180.11 3kow n LYS 43 N -3.97 2.70 -4.26 3.15 2.85 -0.99 -5.02 118.16 112.63 3kow n LYS 43 Ca -0.02 -2.56 -0.15 0.00 -1.05 0.00 0.00 58.31 54.53 3kow n LYS 43 Cb 0.56 -1.62 -0.10 0.00 -0.65 0.00 0.00 35.03 33.22 3kow n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kow s ASN 44 N -1.80 0.80 0.21 -5.58 0.01 -1.09 -5.07 114.94 102.42 3kow s ASN 44 Ca 0.34 -1.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.02 3kow s ASN 44 Cb 0.26 0.35 -0.04 0.00 0.41 0.00 0.00 41.25 42.24 3kow s ASN 44 CO 0.09 -0.85 0.17 0.28 -1.51 0.00 0.00 177.10 175.28 3kow s THR 45 N -3.89 0.00 0.21 1.60 -1.32 -1.26 -4.91 115.64 106.07 3kow s THR 45 Ca 0.38 -1.95 -0.05 0.00 -1.21 0.00 0.00 61.69 58.86 3kow s THR 45 Cb 0.06 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 3kow s THR 45 CO 0.15 0.00 0.24 0.42 -2.21 0.00 0.00 174.62 173.22 3kow s THR 46 N -4.09 0.01 0.16 5.08 -4.23 -1.26 -5.04 115.64 106.27 3kow s THR 46 Ca 0.38 -1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 3kow s THR 46 Cb 0.06 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.60 3kow s THR 46 CO 0.13 -0.05 1.75 -0.65 -0.54 0.00 0.00 174.62 175.26 3kow h PRO 47 N 2.52 0.27 -0.66 3.99 0.11 -2.00 -2.62 132.00 133.62 3kow h PRO 47 Ca -0.33 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 3kow h PRO 47 Cb 1.25 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3kow h PRO 47 CO 0.48 0.18 0.14 0.66 -0.21 0.00 0.00 178.00 179.25 3kow h SER 48 N 0.28 1.01 -0.61 -2.05 4.64 -2.00 -1.63 113.55 113.20 3kow h SER 48 Ca 0.17 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3kow h SER 48 Cb 0.15 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 3kow h SER 48 CO -0.18 0.99 0.35 0.40 -0.87 0.00 0.00 176.83 177.52 3kow h ILE 49 N 0.99 1.00 -0.28 0.95 2.04 -1.93 -2.67 117.51 117.61 3kow h ILE 49 Ca 0.20 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 3kow h ILE 49 Cb 0.39 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3kow h ILE 49 CO 0.01 0.12 -0.44 -0.33 0.00 0.00 0.00 178.15 177.51 3kow h GLU 50 N 0.66 0.72 -0.92 2.37 4.39 -1.07 -2.12 114.58 118.61 3kow h GLU 50 Ca 0.27 -0.39 0.14 0.00 0.34 0.00 0.00 59.36 59.71 3kow h GLU 50 Cb 0.12 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.70 3kow h GLU 50 CO -0.15 1.01 0.53 0.00 -1.16 0.00 0.00 179.01 179.24 3kow h ARG 51 N 0.58 0.77 0.00 2.33 3.08 -1.14 -2.00 114.38 118.00 3kow h ARG 51 Ca 0.04 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3kow h ARG 51 Cb 0.99 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3kow h ARG 51 CO 0.09 0.51 -0.28 0.66 -1.07 0.00 0.00 179.97 179.88 3kow h SER 52 N 0.79 0.00 -0.17 7.04 4.64 -1.05 0.13 113.55 124.93 3kow h SER 52 Ca 0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.73 3kow h SER 52 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3kow h SER 52 CO -0.32 0.28 -0.18 0.58 -0.87 0.00 0.00 176.83 176.32 3kow h VAL 53 N 0.00 1.34 -0.59 0.95 2.07 -0.97 -2.50 116.25 116.55 3kow h VAL 53 Ca -0.00 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3kow h VAL 53 Cb 0.91 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3kow h VAL 53 CO 0.04 0.40 0.30 -0.07 0.02 0.00 0.00 177.57 178.26 3kow h LEU 54 N 0.07 0.76 -1.37 2.57 3.38 -0.78 -0.23 115.31 119.71 3kow h LEU 54 Ca 0.03 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3kow h LEU 54 Cb 0.73 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3kow h LEU 54 CO 0.04 0.66 0.51 -0.07 0.09 0.00 0.00 178.44 179.68 3kow h LEU 55 N 0.81 0.63 -0.58 1.67 3.38 -0.79 0.47 115.31 120.90 3kow h LEU 55 Ca 0.21 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 3kow h LEU 55 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kow h LEU 55 CO -0.03 0.37 -0.70 0.03 0.09 0.00 0.00 178.44 178.21 3kow h ARG 56 N 0.70 0.09 0.00 1.13 3.08 -0.84 -2.77 114.38 115.76 3kow h ARG 56 Ca 0.36 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kow h ARG 56 Cb 0.47 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3kow h ARG 56 CO -0.14 0.75 0.00 -1.33 -1.07 0.00 0.00 179.97 178.18 3kow n MET 57 N -3.75 0.69 0.00 0.04 2.81 0.07 -4.87 117.12 112.11 3kow n MET 57 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3kow n MET 57 Cb 0.68 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 3kow n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kow n GLY 58 N 1.08 1.58 3.98 3.03 0.00 -0.69 -4.92 105.19 109.25 3kow n GLY 58 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 3.14 0.61 1.61 0.08 -0.88 -5.02 117.98 115.51 3kow s PHE 59 Ca 0.00 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 3kow s PHE 59 Cb 0.00 -2.15 -0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3kow s PHE 59 CO 0.00 -0.18 0.95 0.45 -0.10 0.00 0.00 175.22 176.34 3kow s SER 60 N -4.20 5.76 0.58 1.36 0.15 -1.26 -4.49 113.70 111.59 3kow s SER 60 Ca 0.47 0.95 0.28 0.00 0.70 0.00 0.00 55.95 58.35 3kow s SER 60 Cb -0.10 -1.96 1.65 0.00 -1.71 0.00 0.00 66.02 63.91 3kow s SER 60 CO 0.34 -1.03 2.14 0.77 1.20 0.00 0.00 173.24 176.66 3kow h SER 61 N -0.25 0.00 0.04 5.45 4.64 -1.98 -0.60 113.55 120.86 3kow h SER 61 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kow h SER 61 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kow h SER 61 CO 0.62 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.49 3kow h LEU 62 N 0.00 -0.05 -0.97 5.97 3.38 -1.98 -3.09 115.31 118.57 3kow h LEU 62 Ca 0.07 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.30 3kow h LEU 62 Cb 0.36 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 40.94 3kow h LEU 62 CO -0.00 0.03 -0.01 -0.62 0.09 0.00 0.00 178.44 177.93 3kow n GLU 63 N -2.51 -0.08 0.14 1.13 1.02 -1.22 -0.98 120.64 118.14 3kow n GLU 63 Ca -0.01 1.47 0.05 0.00 -0.02 0.00 0.00 57.16 58.65 3kow n GLU 63 Cb 0.02 -2.31 0.49 0.00 -0.02 0.00 0.00 31.44 29.62 3kow n GLU 63 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kow h ALA 64 N 1.95 1.75 -0.38 0.62 0.00 -1.21 0.25 119.26 122.25 3kow h ALA 64 Ca 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3kow h ALA 64 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kow h ALA 64 CO -0.93 0.20 0.00 1.17 0.00 0.00 0.00 179.25 179.69 3kow n LYS 65 N -4.43 2.40 -0.13 0.00 4.81 -0.15 -2.60 118.16 118.06 3kow n LYS 65 Ca -0.00 -1.58 -0.26 0.00 -0.87 0.00 0.00 58.31 55.60 3kow n LYS 65 Cb 0.14 -1.54 -0.09 0.00 0.02 0.00 0.00 35.03 33.56 3kow n LYS 65 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kow n ALA 66 N 0.58 1.12 0.03 3.14 0.00 0.03 -3.95 120.51 121.46 3kow n ALA 66 Ca 0.14 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.45 3kow n ALA 66 Cb 0.51 0.10 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 3kow n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kow h ILE 67 N -1.00 0.66 -0.10 0.00 2.04 -1.51 -1.96 117.51 115.65 3kow h ILE 67 Ca -0.56 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3kow h ILE 67 Cb 1.49 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3kow h ILE 67 CO -0.34 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.23 3kow h VAL 68 N -0.19 1.17 0.00 1.67 2.07 -1.75 0.14 116.25 119.37 3kow h VAL 68 Ca 0.07 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3kow h VAL 68 Cb 0.28 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3kow h VAL 68 CO -0.17 0.24 -0.52 0.44 0.02 0.00 0.00 177.57 177.58 3kow h ASP 69 N 0.15 0.00 0.46 0.57 5.19 -1.63 -2.89 116.42 118.27 3kow h ASP 69 Ca 0.03 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.14 3kow h ASP 69 Cb 0.38 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 3kow h ASP 69 CO 0.02 0.21 -1.63 0.11 -3.12 0.00 0.00 179.24 174.83 3kow h LYS 70 N 0.00 0.13 0.00 3.56 1.57 -1.02 -3.32 116.57 117.48 3kow h LYS 70 Ca -0.02 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3kow h LYS 70 Cb 1.18 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3kow h LYS 70 CO 0.02 0.87 -0.08 1.15 -0.57 0.00 0.00 179.45 180.85 3kow h THR 71 N 0.03 0.90 0.05 -0.16 2.02 -0.73 -2.40 112.91 112.62 3kow h THR 71 Ca -0.27 -0.29 -0.26 0.00 0.77 0.00 0.00 66.41 66.36 3kow h THR 71 Cb 1.99 1.16 0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3kow h THR 71 CO 0.11 0.08 -1.08 0.24 0.37 0.00 0.00 175.52 175.24 3kow h MET 72 N 0.00 0.52 0.00 6.66 2.86 -1.65 -2.67 114.93 120.65 3kow h MET 72 Ca -0.00 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 3kow h MET 72 Cb 0.16 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3kow h MET 72 CO 0.01 1.24 0.00 -0.25 1.06 0.00 0.00 176.91 178.97 3kow n ASP 73 N -3.76 0.00 -0.57 1.22 9.92 -0.93 -2.75 116.55 119.68 3kow n ASP 73 Ca -0.10 0.41 0.07 0.00 -0.53 0.00 0.00 54.79 54.65 3kow n ASP 73 Cb 0.91 -0.45 0.06 0.00 -0.64 0.00 0.00 41.12 41.00 3kow n ASP 73 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kow n ARG 74 N -1.45 1.05 -1.83 -1.24 5.12 -1.02 -4.95 116.66 112.33 3kow n ARG 74 Ca 0.03 -1.34 -0.19 0.00 -1.93 0.00 0.00 57.85 54.42 3kow n ARG 74 Cb 0.12 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.09 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 0.83 1.11 0.25 -0.13 0.00 -1.11 -4.85 105.19 101.28 3kow n GLY 75 Ca 0.08 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3kow n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kow n LEU 76 N -2.40 1.29 -0.25 0.99 4.32 -1.01 -4.40 117.00 115.55 3kow n LEU 76 Ca -0.21 -0.45 0.04 0.00 -0.02 0.00 0.00 56.01 55.38 3kow n LEU 76 Cb 0.65 -0.07 0.15 0.00 -1.62 0.00 0.00 43.42 42.52 3kow n LEU 76 CO 0.29 0.26 0.82 0.24 -1.22 0.00 0.00 177.39 177.77 3kow h MET 77 N 1.20 0.10 -0.93 3.23 2.86 -1.87 -1.05 114.93 118.48 3kow h MET 77 Ca 0.00 -0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.90 3kow h MET 77 Cb 0.59 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 3kow h MET 77 CO 0.00 0.06 0.71 0.78 1.06 0.00 0.00 176.91 179.53 3kow h GLY 78 N 0.10 0.00 1.52 8.32 0.00 -1.93 0.53 103.07 111.61 3kow h GLY 78 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3kow h GLY 78 CO -0.65 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 175.86 3kow n LYS 79 N -4.09 0.18 -0.29 4.80 5.02 -0.40 -5.02 118.16 118.36 3kow n LYS 79 Ca 0.19 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3kow n LYS 79 Cb 1.03 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 3kow n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kow n GLY 80 N 1.39 -1.52 0.32 0.72 0.00 0.19 -4.42 105.19 101.85 3kow n GLY 80 Ca 0.05 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 1.73 -0.00 4.61 0.00 -1.84 0.11 119.26 123.86 3kow h ALA 81 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kow h ALA 81 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kow h ALA 81 CO 0.00 -0.16 -0.22 0.41 0.00 0.00 0.00 179.25 179.28 3kow n GLY 82 N -1.39 -1.03 0.10 0.00 0.00 -1.26 -2.65 105.19 98.96 3kow n GLY 82 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3kow n GLY 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kow n HIS 83 N -1.11 0.97 0.37 1.61 -0.00 0.35 -3.00 115.22 114.42 3kow n HIS 83 Ca 0.11 0.31 -0.15 0.00 -0.00 0.00 0.00 57.72 57.99 3kow n HIS 83 Cb 0.31 -1.17 -0.07 0.00 -0.00 0.00 0.00 29.99 29.07 3kow n HIS 83 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3kow h ILE 84 N 0.02 0.00 -1.03 3.57 1.08 -1.52 -0.23 117.51 119.39 3kow h ILE 84 Ca -0.34 -0.16 0.31 0.00 -0.39 0.00 0.00 64.86 64.29 3kow h ILE 84 Cb 2.03 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.65 3kow h ILE 84 CO 0.07 0.00 0.61 0.58 -0.69 0.00 0.00 178.15 178.72 3kow h VAL 85 N -1.13 0.34 0.01 1.67 2.07 -1.65 0.17 116.25 117.74 3kow h VAL 85 Ca -0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3kow h VAL 85 Cb 0.74 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3kow h VAL 85 CO 0.16 0.06 -0.10 0.22 0.02 0.00 0.00 177.57 177.93 3kow h TYR 86 N 0.35 0.08 0.00 1.57 3.20 -1.43 -2.14 116.97 118.60 3kow h TYR 86 Ca 0.72 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.48 3kow h TYR 86 Cb 1.67 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 3kow h TYR 86 CO -0.01 0.99 -0.27 0.87 -1.64 0.00 0.00 178.16 178.11 3kow h LYS 87 N -0.86 0.00 0.00 1.82 1.79 -0.48 -0.07 116.57 118.77 3kow h LYS 87 Ca -0.02 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 3kow h LYS 87 Cb 1.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 3kow h LYS 87 CO 0.02 0.27 -0.41 0.82 -1.08 0.00 0.00 179.45 179.06 3kow h ILE 88 N 0.00 0.97 -0.06 1.86 1.08 -1.05 -1.43 117.51 118.88 3kow h ILE 88 Ca -0.00 -1.61 -0.07 0.00 -0.39 0.00 0.00 64.86 62.79 3kow h ILE 88 Cb 0.54 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 3kow h ILE 88 CO 0.03 0.40 -0.23 0.00 -0.69 0.00 0.00 178.15 177.67 3kow h ALA 89 N 1.59 0.11 0.00 1.87 0.00 -0.37 -3.07 119.26 119.39 3kow h ALA 89 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3kow h ALA 89 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kow h ALA 89 CO 0.05 0.09 -0.30 0.87 0.00 0.00 0.00 179.25 179.96 3kow h LYS 90 N -0.26 0.00 -0.04 0.00 1.57 -1.15 0.30 116.57 117.00 3kow h LYS 90 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3kow h LYS 90 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3kow h LYS 90 CO 0.05 0.30 -0.21 0.93 -0.57 0.00 0.00 179.45 179.95 3kow h GLU 91 N 0.00 0.21 -0.65 3.15 4.39 -1.27 -2.89 114.58 117.52 3kow h GLU 91 Ca -0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3kow h GLU 91 Cb 0.92 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3kow h GLU 91 CO 0.04 0.83 0.00 1.63 -1.16 0.00 0.00 179.01 180.35 3kow n LYS 92 N -4.55 4.02 -3.97 2.33 4.76 -1.16 -4.96 118.16 114.63 3kow n LYS 92 Ca -0.09 -2.59 -0.33 0.00 -2.87 0.00 0.00 58.31 52.43 3kow n LYS 92 Cb 0.44 -2.05 0.01 0.00 -1.84 0.00 0.00 35.03 31.59 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 0.64 -2.58 -3.07 4.39 4.13 -0.89 -4.96 115.26 112.92 3kow n ASN 93 Ca 0.23 -0.93 -0.14 0.00 1.68 0.00 0.00 54.58 55.42 3kow n ASN 93 Cb 0.97 -1.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.07 3kow n ASN 93 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3kow n ILE 94 N -3.85 0.00 -1.60 2.41 -5.35 0.04 -5.01 119.36 106.01 3kow n ILE 94 Ca -0.09 -1.12 -0.31 0.00 -0.27 0.00 0.00 62.75 60.96 3kow n ILE 94 Cb 0.40 0.28 0.05 0.00 -1.74 0.00 0.00 39.64 38.63 3kow n ILE 94 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kow s SER 95 N -2.27 5.31 0.19 7.28 1.04 -1.26 -4.53 113.70 119.45 3kow s SER 95 Ca 0.03 1.53 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 3kow s SER 95 Cb 0.00 -2.40 0.12 0.00 0.10 0.00 0.00 66.02 63.84 3kow s SER 95 CO 0.02 -1.48 1.77 0.58 0.98 0.00 0.00 173.24 175.11 3kow h VAL 96 N -0.74 1.24 0.00 5.02 2.07 -1.92 -1.40 116.25 120.51 3kow h VAL 96 Ca -0.44 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3kow h VAL 96 Cb 1.22 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3kow h VAL 96 CO 0.58 0.29 0.00 0.54 0.02 0.00 0.00 177.57 179.00 3kow n ARG 97 N -4.40 0.10 -0.10 1.57 1.74 -1.26 -1.95 116.66 112.35 3kow n ARG 97 Ca 0.06 0.24 -0.24 0.00 -0.77 0.00 0.00 57.85 57.14 3kow n ARG 97 Cb 0.15 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.82 3kow n ARG 97 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kow n GLU 98 N -1.85 0.60 0.27 5.56 -0.58 -1.02 -1.70 120.64 121.91 3kow n GLU 98 Ca 0.04 0.43 0.09 0.00 -0.42 0.00 0.00 57.16 57.30 3kow n GLU 98 Cb 0.27 -1.65 0.69 0.00 -0.57 0.00 0.00 31.44 30.17 3kow n GLU 98 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kow h ALA 99 N -0.56 1.92 0.00 0.62 0.00 -1.27 0.16 119.26 120.13 3kow h ALA 99 Ca -0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kow h ALA 99 Cb 1.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3kow h ALA 99 CO -0.24 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 179.78 3kow h GLY 100 N 0.00 0.00 -0.82 0.00 0.00 -1.53 -1.87 103.07 98.85 3kow h GLY 100 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.65 3kow h GLY 100 CO 0.00 0.00 0.29 1.41 0.00 0.00 0.00 176.54 178.24 3kow h LEU 101 N -1.00 -0.03 -0.18 3.11 4.07 -1.16 -0.68 115.31 119.44 3kow h LEU 101 Ca -0.00 0.25 -0.09 0.00 0.08 0.00 0.00 57.88 58.12 3kow h LEU 101 Cb 0.33 0.34 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 3kow h LEU 101 CO -0.00 -0.32 -0.23 0.00 -1.08 0.00 0.00 178.44 176.82 3kow h ALA 102 N 1.93 0.27 0.00 1.53 0.00 -0.73 -2.89 119.26 119.38 3kow h ALA 102 Ca 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kow h ALA 102 Cb 1.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3kow h ALA 102 CO -0.79 0.23 0.00 -0.07 0.00 0.00 0.00 179.25 178.62 3kow h LEU 103 N 0.13 0.00 -0.69 0.00 3.38 -0.26 -2.02 115.31 115.86 3kow h LEU 103 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kow h LEU 103 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3kow h LEU 103 CO 0.05 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.35 3kow h SER 104 N 0.00 0.00 -2.06 -0.43 4.64 -1.23 -3.29 113.55 111.18 3kow h SER 104 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3kow h SER 104 Cb 0.04 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.73 3kow h SER 104 CO 0.00 0.00 -1.06 -0.62 -0.87 0.00 0.00 176.83 174.28 3kow n GLU 105 N -2.36 1.40 0.00 4.77 4.71 -0.76 -4.83 120.64 123.56 3kow n GLU 105 Ca 0.02 -3.67 0.00 0.00 -0.01 0.00 0.00 57.16 53.50 3kow n GLU 105 Cb 0.27 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 3kow n GLU 105 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kow n GLY 106 N 0.37 2.47 3.77 0.62 0.00 -1.24 -4.98 105.19 106.20 3kow n GLY 106 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 4.19 -1.64 1.61 1.02 -1.21 -3.71 119.74 120.00 3kow s LYS 107 Ca 0.00 2.32 -0.02 0.00 0.02 0.00 0.00 55.97 58.29 3kow s LYS 107 Cb 0.00 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3kow s LYS 107 CO 0.00 -0.37 0.32 0.66 -0.92 0.00 0.00 175.35 175.04 3kow n TYR 108 N 0.54 -1.49 -0.04 3.18 4.01 -1.26 -4.08 117.16 118.02 3kow n TYR 108 Ca 0.01 0.28 -0.09 0.00 -0.16 0.00 0.00 57.90 57.94 3kow n TYR 108 Cb 0.41 -4.21 -0.14 0.00 -0.31 0.00 0.00 39.34 35.09 3kow n TYR 108 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3kow n TRP 109 N -4.28 0.73 0.20 -0.72 7.02 -1.24 -2.85 117.44 116.30 3kow n TRP 109 Ca -0.17 0.27 -0.15 0.00 -1.02 0.00 0.00 57.50 56.43 3kow n TRP 109 Cb 0.65 -1.13 -0.08 0.00 -2.42 0.00 0.00 31.31 28.33 3kow n TRP 109 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kow h ASP 110 N 0.00 -0.40 -0.50 -0.99 5.19 -1.90 -0.59 116.42 117.22 3kow h ASP 110 Ca -0.35 -0.07 0.10 0.00 -0.62 0.00 0.00 57.03 56.08 3kow h ASP 110 Cb 2.06 0.10 -0.08 0.00 0.18 0.00 0.00 39.33 41.59 3kow h ASP 110 CO 0.07 -0.17 -0.02 0.44 -3.12 0.00 0.00 179.24 176.44 3kow h ASP 111 N -0.63 -0.25 -0.23 6.45 3.32 -1.98 -2.29 116.42 120.82 3kow h ASP 111 Ca -0.05 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3kow h ASP 111 Cb 0.45 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.16 3kow h ASP 111 CO 0.08 -0.09 -0.51 0.00 -1.72 0.00 0.00 179.24 177.00 3kow h ALA 112 N 1.46 -0.75 0.00 3.45 0.00 -1.39 -1.67 119.26 120.36 3kow h ALA 112 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kow h ALA 112 Cb 0.38 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kow h ALA 112 CO -0.43 -1.02 0.00 -0.89 0.00 0.00 0.00 179.25 176.90 3kow n ILE 113 N -5.42 0.00 -0.23 0.00 5.41 -0.24 -5.09 119.36 113.79 3kow n ILE 113 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3kow n ILE 113 Cb 0.37 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 3kow n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55