#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftu n VAL 2 N 0.00 -0.43 -4.57 8.89 0.31 -1.26 -4.86 118.33 116.40 2ftu n VAL 2 Ca 0.00 0.69 0.00 0.00 -0.01 0.00 0.00 64.34 65.02 2ftu n VAL 2 Cb 0.00 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2ftu n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2ftu n SER 3 N -4.27 -4.93 0.00 4.52 2.88 -1.26 -4.96 113.62 105.60 2ftu n SER 3 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2ftu n SER 3 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 2ftu n SER 3 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2ftu n HIS 4 N -1.46 -0.00 0.22 0.66 8.25 -1.26 -4.93 115.22 116.69 2ftu n HIS 4 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2ftu n HIS 4 Cb 0.00 0.03 0.49 0.00 1.12 0.00 0.00 29.99 31.64 2ftu n HIS 4 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2ftu h GLN 5 N 0.00 0.00 0.00 -0.41 4.20 -2.04 -3.49 115.11 113.37 2ftu h GLN 5 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ftu h GLN 5 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ftu h GLN 5 CO 0.00 0.26 0.00 0.41 -0.67 0.00 0.00 178.83 178.83 2ftu n GLY 6 N -0.51 -0.06 2.84 3.46 0.00 -1.26 -5.02 105.19 104.64 2ftu n GLY 6 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 2ftu n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ftu n TYR 7 N -0.04 -3.59 -1.63 1.61 4.02 -1.26 -4.85 117.16 111.42 2ftu n TYR 7 Ca 0.00 1.48 -0.50 0.00 -0.01 0.00 0.00 57.90 58.87 2ftu n TYR 7 Cb 0.00 -4.02 -0.06 0.00 -0.02 0.00 0.00 39.34 35.25 2ftu n TYR 7 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2ftu n SER 8 N -0.05 2.97 -0.04 7.72 3.41 -1.26 -4.88 113.62 121.49 2ftu n SER 8 Ca 0.09 0.83 -0.10 0.00 -0.26 0.00 0.00 58.87 59.42 2ftu n SER 8 Cb 0.36 -1.32 -0.09 0.00 -0.26 0.00 0.00 64.21 62.90 2ftu n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ftu h THR 9 N 5.88 1.17 -0.79 6.66 1.03 -1.91 -3.48 112.91 121.47 2ftu h THR 9 Ca -0.43 -1.75 0.23 0.00 -0.01 0.00 0.00 66.41 64.45 2ftu h THR 9 Cb 1.29 2.16 -0.33 0.00 -1.07 0.00 0.00 68.15 70.21 2ftu h THR 9 CO 0.97 0.38 0.75 -1.61 -0.01 0.00 0.00 175.52 175.99 2ftu s GLU 10 N -2.36 0.00 1.15 0.00 2.02 -1.26 -5.12 118.70 113.14 2ftu s GLU 10 Ca -0.13 0.01 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2ftu s GLU 10 Cb -0.01 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.22 2ftu s GLU 10 CO 0.48 -0.00 0.00 0.00 0.02 0.00 0.00 175.26 175.76 2ftu n ALA 11 N 3.33 0.00 -3.40 5.21 0.00 -1.26 -4.87 120.51 119.52 2ftu n ALA 11 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2ftu n ALA 11 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 2ftu n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ftu n GLU 12 N 0.00 -3.58 -1.56 0.00 4.71 -1.26 -4.90 120.64 114.04 2ftu n GLU 12 Ca 0.00 0.51 -0.50 0.00 -0.01 0.00 0.00 57.16 57.15 2ftu n GLU 12 Cb 0.00 -5.23 -0.06 0.00 -1.01 0.00 0.00 31.44 25.14 2ftu n GLU 12 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2ftu n PHE 13 N -4.03 1.90 0.00 -0.32 3.72 -1.26 -4.84 117.46 112.63 2ftu n PHE 13 Ca -0.02 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2ftu n PHE 13 Cb 0.54 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 2ftu n PHE 13 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ftu n GLU 14 N 7.44 0.00 -3.26 -1.08 1.02 -1.26 -4.90 120.64 118.60 2ftu n GLU 14 Ca 0.33 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.22 2ftu n GLU 14 Cb 0.25 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.60 2ftu n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ftu n GLU 15 N -0.11 1.51 -0.08 3.49 1.02 -1.26 -4.85 120.64 120.37 2ftu n GLU 15 Ca 0.00 -3.84 -0.12 0.00 -0.02 0.00 0.00 57.16 53.18 2ftu n GLU 15 Cb 0.00 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 29.68 2ftu n GLU 15 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ftu h PRO 16 N 3.96 0.00 0.00 3.49 0.13 -1.93 -3.46 132.00 134.19 2ftu h PRO 16 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ftu h PRO 16 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2ftu h PRO 16 CO 0.62 0.52 0.00 -2.13 -0.23 0.00 0.00 178.00 176.78 2ftu n ARG 17 N -4.57 0.00 0.10 0.86 0.63 -1.26 -4.87 116.66 107.54 2ftu n ARG 17 Ca -0.16 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.64 2ftu n ARG 17 Cb 0.41 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.25 2ftu n ARG 17 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 2ftu h VAL 18 N 0.00 0.89 -0.17 5.15 3.04 -1.96 0.08 116.25 123.28 2ftu h VAL 18 Ca 0.00 -0.06 0.05 0.00 -1.01 0.00 0.00 66.70 65.68 2ftu h VAL 18 Cb 0.00 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 2ftu h VAL 18 CO 0.00 0.01 0.31 0.40 -1.01 0.00 0.00 177.57 177.29 2ftu h ILE 19 N -0.19 0.22 -0.09 3.17 5.03 -1.93 -0.94 117.51 122.79 2ftu h ILE 19 Ca -0.02 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.60 2ftu h ILE 19 Cb 0.15 0.73 0.01 0.00 -3.03 0.00 0.00 36.82 34.67 2ftu h ILE 19 CO 0.03 0.00 -0.41 -0.78 -0.68 0.00 0.00 178.15 176.31 2ftu h ASP 20 N 0.00 0.52 -0.97 1.72 3.58 -1.37 0.47 116.42 120.37 2ftu h ASP 20 Ca 0.08 -0.64 0.13 0.00 0.42 0.00 0.00 57.03 57.03 2ftu h ASP 20 Cb 0.71 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 41.52 2ftu h ASP 20 CO -0.00 1.07 0.61 -0.07 -2.88 0.00 0.00 179.24 177.97 2ftu h LEU 21 N 0.00 0.83 -0.67 2.28 -0.00 0.10 0.33 115.31 118.18 2ftu h LEU 21 Ca -0.02 0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.76 2ftu h LEU 21 Cb 1.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2ftu h LEU 21 CO 0.09 0.42 -0.56 -0.50 -0.00 0.00 0.00 178.44 177.89 2ftu h TRP 22 N 0.88 0.40 -0.32 1.13 6.55 -1.18 -1.24 115.95 122.17 2ftu h TRP 22 Ca 0.49 -0.14 0.05 0.00 0.95 0.00 0.00 58.89 60.23 2ftu h TRP 22 Cb 0.60 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 28.78 2ftu h TRP 22 CO -0.00 0.80 0.05 0.22 -1.05 0.00 0.00 178.44 178.46 2ftu h ASP 23 N 0.24 -0.01 0.77 -3.49 1.82 0.12 -2.47 116.42 113.39 2ftu h ASP 23 Ca 0.00 0.05 -0.19 0.00 -0.39 0.00 0.00 57.03 56.50 2ftu h ASP 23 Cb 1.06 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2ftu h ASP 23 CO 0.09 0.03 -0.90 -0.07 -1.61 0.00 0.00 179.24 176.78 2ftu h LEU 24 N 0.16 0.11 -1.18 2.28 4.07 -1.26 -3.29 115.31 116.20 2ftu h LEU 24 Ca 0.15 -0.09 0.31 0.00 0.08 0.00 0.00 57.88 58.32 2ftu h LEU 24 Cb 0.17 -0.03 -0.12 0.00 1.08 0.00 0.00 40.66 41.75 2ftu h LEU 24 CO -0.21 0.94 0.65 0.00 -1.08 0.00 0.00 178.44 178.75 2ftu h ALA 25 N 1.05 2.13 -0.77 1.53 0.00 -0.74 0.31 119.26 122.77 2ftu h ALA 25 Ca -0.03 0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.23 2ftu h ALA 25 Cb 1.56 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2ftu h ALA 25 CO 0.13 -0.65 0.66 0.37 0.00 0.00 0.00 179.25 179.76 2ftu h GLN 26 N 0.37 0.00 0.00 0.00 4.15 -1.62 -3.26 115.11 114.75 2ftu h GLN 26 Ca 0.68 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.10 2ftu h GLN 26 Cb 1.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.35 2ftu h GLN 26 CO -0.45 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 175.32 2ftu n SER 27 N -3.92 0.00 0.00 -0.69 3.41 0.79 -5.03 113.62 108.17 2ftu n SER 27 Ca 0.16 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2ftu n SER 27 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 2ftu n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ftu n ALA 28 N 0.00 0.00 -1.98 7.33 0.00 0.49 -4.93 120.51 121.42 2ftu n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ftu n ALA 28 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2ftu n ALA 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ftu n ASN 29 N -0.14 0.00 -2.49 0.00 5.15 -1.26 -5.09 115.26 111.43 2ftu n ASN 29 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 2ftu n ASN 29 Cb 0.00 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2ftu n ASN 29 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2ftu n LEU 30 N 0.00 0.00 -4.44 1.20 4.77 -1.26 -5.09 117.00 112.18 2ftu n LEU 30 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2ftu n LEU 30 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 2ftu n LEU 30 CO 0.00 -0.30 -0.50 0.42 -1.33 0.00 0.00 177.39 175.68 2ftu s THR 31 N -0.55 2.71 0.62 -5.08 -4.23 -1.26 -5.01 115.64 102.84 2ftu s THR 31 Ca 0.00 -1.13 0.30 0.00 -1.18 0.00 0.00 61.69 59.68 2ftu s THR 31 Cb 0.00 -2.10 0.35 0.00 1.34 0.00 0.00 72.50 72.09 2ftu s THR 31 CO 0.00 0.40 1.98 -0.78 -0.54 0.00 0.00 174.62 175.68 2ftu h ASP 32 N 4.77 0.00 0.05 3.99 3.58 -1.97 0.13 116.42 126.97 2ftu h ASP 32 Ca -0.47 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.60 2ftu h ASP 32 Cb 1.15 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 2ftu h ASP 32 CO 0.48 0.00 -2.32 1.17 -2.88 0.00 0.00 179.24 175.68 2ftu n LYS 33 N -3.42 0.68 -0.24 0.28 4.81 -1.26 -2.39 118.16 116.62 2ftu n LYS 33 Ca 0.02 0.17 -0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2ftu n LYS 33 Cb 0.45 -1.58 0.12 0.00 0.02 0.00 0.00 35.03 34.04 2ftu n LYS 33 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2ftu h GLU 34 N 0.02 0.61 -0.02 1.64 4.11 -1.46 -1.68 114.58 117.79 2ftu h GLU 34 Ca -0.53 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 58.88 2ftu h GLU 34 Cb 1.96 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 2ftu h GLU 34 CO -0.03 0.40 -0.08 1.25 0.07 0.00 0.00 179.01 180.62 2ftu h LEU 35 N 0.62 -0.25 -0.42 3.06 7.12 -0.89 -0.74 115.31 123.82 2ftu h LEU 35 Ca 0.32 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.45 2ftu h LEU 35 Cb 0.29 0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.47 2ftu h LEU 35 CO -0.23 -0.12 0.05 -0.08 -0.13 0.00 0.00 178.44 177.93 2ftu h GLU 36 N -0.14 0.16 -0.19 1.25 4.57 -1.09 0.32 114.58 119.46 2ftu h GLU 36 Ca 0.04 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2ftu h GLU 36 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2ftu h GLU 36 CO -0.10 0.11 0.01 0.00 -1.18 0.00 0.00 179.01 177.85 2ftu h ALA 37 N 1.34 0.26 -0.92 2.92 0.00 -1.02 -1.83 119.26 120.02 2ftu h ALA 37 Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ftu h ALA 37 Cb 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2ftu h ALA 37 CO -0.30 -0.03 0.61 0.35 0.00 0.00 0.00 179.25 179.88 2ftu h PHE 38 N 0.10 1.15 -0.01 0.00 3.04 -0.95 -1.79 116.94 118.48 2ftu h PHE 38 Ca 0.06 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.05 2ftu h PHE 38 Cb 0.37 -0.39 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 2ftu h PHE 38 CO 0.03 0.71 -0.07 -0.09 -2.02 0.00 0.00 178.31 176.88 2ftu h ARG 39 N 1.23 -0.11 0.03 1.11 1.12 0.25 0.23 114.38 118.24 2ftu h ARG 39 Ca 0.34 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.22 2ftu h ARG 39 Cb -0.12 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 2ftu h ARG 39 CO -0.08 -0.07 -0.01 0.93 -3.11 0.00 0.00 179.97 177.62 2ftu h GLU 40 N -0.12 -0.04 -0.49 0.20 4.39 -1.19 -1.37 114.58 115.96 2ftu h GLU 40 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2ftu h GLU 40 Cb 0.15 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2ftu h GLU 40 CO -0.08 0.19 0.24 1.05 -1.16 0.00 0.00 179.01 179.25 2ftu h GLU 41 N -0.26 0.68 -0.58 2.33 4.11 -0.93 -1.25 114.58 118.68 2ftu h GLU 41 Ca -0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 2ftu h GLU 41 Cb 0.24 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2ftu h GLU 41 CO 0.01 0.53 0.11 -0.07 0.07 0.00 0.00 179.01 179.65 2ftu h LEU 42 N 0.69 0.91 -0.65 3.06 -0.00 -0.48 0.12 115.31 118.96 2ftu h LEU 42 Ca 0.17 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2ftu h LEU 42 Cb 0.07 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 2ftu h LEU 42 CO -0.02 0.93 0.32 0.50 -0.00 0.00 0.00 178.44 180.16 2ftu h LYS 43 N 0.85 0.93 -0.66 1.13 3.64 -0.13 0.34 116.57 122.67 2ftu h LYS 43 Ca 0.18 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2ftu h LYS 43 Cb 0.40 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2ftu h LYS 43 CO 0.01 0.74 0.19 0.45 -2.27 0.00 0.00 179.45 178.57 2ftu h HIS 44 N 0.90 1.06 0.44 1.91 3.86 -1.05 -1.98 115.15 120.29 2ftu h HIS 44 Ca 0.22 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2ftu h HIS 44 Cb 0.11 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2ftu h HIS 44 CO 0.00 0.85 -0.21 0.35 0.86 0.00 0.00 177.93 179.78 2ftu h PHE 45 N 0.98 -0.55 -0.78 2.45 3.04 0.01 -1.88 116.94 120.22 2ftu h PHE 45 Ca 0.21 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.27 2ftu h PHE 45 Cb 0.30 0.18 -0.08 0.00 2.56 0.00 0.00 35.95 38.91 2ftu h PHE 45 CO 0.02 -0.22 0.39 1.05 -2.02 0.00 0.00 178.31 177.52 2ftu h GLU 46 N -0.96 0.59 0.01 1.11 -0.00 -0.40 -0.00 114.58 114.94 2ftu h GLU 46 Ca -0.06 -0.04 0.01 0.00 -0.00 0.00 0.00 59.36 59.28 2ftu h GLU 46 Cb 0.57 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 2ftu h GLU 46 CO 0.10 0.39 -0.08 0.00 -0.00 0.00 0.00 179.01 179.42 2ftu h ALA 47 N 1.49 -0.09 0.26 1.06 0.00 -1.32 0.11 119.26 120.77 2ftu h ALA 47 Ca 0.40 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2ftu h ALA 47 Cb 0.50 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2ftu h ALA 47 CO -0.32 -0.57 -0.42 0.87 0.00 0.00 0.00 179.25 178.81 2ftu h LYS 48 N -0.14 -0.72 -0.43 0.00 6.56 -0.34 -1.88 116.57 119.61 2ftu h LYS 48 Ca 0.03 0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.61 2ftu h LYS 48 Cb 0.17 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 2ftu h LYS 48 CO -0.07 -0.48 0.02 0.97 -2.06 0.00 0.00 179.45 177.83 2ftu h ILE 49 N -0.75 1.22 -0.44 1.86 6.09 -0.87 -1.68 117.51 122.95 2ftu h ILE 49 Ca -0.01 -0.89 0.07 0.00 -1.37 0.00 0.00 64.86 62.66 2ftu h ILE 49 Cb 0.71 0.87 -0.06 0.00 0.47 0.00 0.00 36.82 38.82 2ftu h ILE 49 CO -0.15 0.31 0.10 -0.33 -3.07 0.00 0.00 178.15 175.01 2ftu h GLU 50 N 0.66 0.24 -0.27 2.19 4.39 -0.65 0.19 114.58 121.32 2ftu h GLU 50 Ca 0.14 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2ftu h GLU 50 Cb 0.38 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2ftu h GLU 50 CO 0.01 0.16 -0.06 0.87 -1.16 0.00 0.00 179.01 178.83 2ftu h LYS 51 N 0.24 0.52 -0.20 2.33 1.79 -0.67 0.22 116.57 120.81 2ftu h LYS 51 Ca 0.21 -0.19 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2ftu h LYS 51 Cb 0.26 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 2ftu h LYS 51 CO -0.27 0.72 -0.48 1.25 -1.08 0.00 0.00 179.45 179.60 2ftu h HIS 52 N 0.28 -1.40 -0.65 -1.35 -0.00 -0.79 -0.56 115.15 110.67 2ftu h HIS 52 Ca 0.07 0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.63 2ftu h HIS 52 Cb 0.52 0.64 -0.12 0.00 -0.00 0.00 0.00 27.41 28.45 2ftu h HIS 52 CO 0.05 -0.50 -0.17 -0.97 -0.00 0.00 0.00 177.93 176.34 2ftu h ASN 53 N -0.50 -0.61 -0.92 3.26 -1.24 -0.57 0.24 115.58 115.24 2ftu h ASN 53 Ca 0.07 0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 2ftu h ASN 53 Cb 0.64 0.40 -0.04 0.00 0.73 0.00 0.00 38.32 40.05 2ftu h ASN 53 CO -0.46 -0.22 0.55 -0.74 -1.29 0.00 0.00 177.43 175.28 2ftu h HIS 54 N -0.00 1.21 -0.19 0.67 2.76 0.03 -0.85 115.15 118.78 2ftu h HIS 54 Ca 0.31 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.30 2ftu h HIS 54 Cb 0.48 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2ftu h HIS 54 CO -0.53 0.80 -0.57 1.88 -1.30 0.00 0.00 177.93 178.22 2ftu h TYR 55 N 1.27 0.94 -0.81 5.26 -1.99 0.13 -1.00 116.97 120.77 2ftu h TYR 55 Ca 0.33 -0.37 0.04 0.00 2.00 0.00 0.00 58.73 60.73 2ftu h TYR 55 Cb -0.06 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 38.47 2ftu h TYR 55 CO 0.01 1.18 0.53 1.96 -0.00 0.00 0.00 178.16 181.83 2ftu h GLN 56 N 0.43 0.93 0.25 4.88 4.20 -0.26 0.96 115.11 126.50 2ftu h GLN 56 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2ftu h GLN 56 Cb 1.19 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2ftu h GLN 56 CO 0.12 0.62 -0.12 0.87 -0.67 0.00 0.00 178.83 179.65 2ftu h LYS 57 N 0.96 -0.33 0.00 1.46 1.57 -0.95 -1.66 116.57 117.62 2ftu h LYS 57 Ca 0.33 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2ftu h LYS 57 Cb 0.09 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ftu h LYS 57 CO -0.10 -0.02 0.00 1.96 -0.57 0.00 0.00 179.45 180.72 2ftu h GLN 58 N -0.66 0.00 0.23 3.15 1.08 -0.92 -1.60 115.11 116.40 2ftu h GLN 58 Ca -0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2ftu h GLN 58 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2ftu h GLN 58 CO 0.06 0.00 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.76 2ftu h LEU 59 N 0.00 -0.27 -0.42 1.46 3.38 -0.35 -1.22 115.31 117.90 2ftu h LEU 59 Ca 0.00 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2ftu h LEU 59 Cb 0.21 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2ftu h LEU 59 CO 0.00 0.15 0.20 -0.08 0.09 0.00 0.00 178.44 178.80 2ftu h GLU 60 N -0.74 0.40 -0.25 1.13 4.81 -0.52 0.42 114.58 119.84 2ftu h GLU 60 Ca -0.03 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2ftu h GLU 60 Cb 0.50 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2ftu h GLU 60 CO 0.05 0.27 0.11 0.82 -0.73 0.00 0.00 179.01 179.53 2ftu h ILE 61 N 0.41 0.97 -0.67 2.32 2.04 -1.43 -0.47 117.51 120.68 2ftu h ILE 61 Ca 0.18 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2ftu h ILE 61 Cb 0.09 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2ftu h ILE 61 CO -0.13 0.04 0.29 0.00 0.00 0.00 0.00 178.15 178.36 2ftu h ALA 62 N 1.14 1.26 -0.24 1.87 0.00 -0.54 -1.96 119.26 120.79 2ftu h ALA 62 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2ftu h ALA 62 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2ftu h ALA 62 CO -0.09 0.56 -0.11 1.25 0.00 0.00 0.00 179.25 180.86 2ftu h HIS 63 N 0.96 0.56 -0.14 0.00 -0.00 0.63 0.46 115.15 117.62 2ftu h HIS 63 Ca 0.23 -0.14 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 2ftu h HIS 63 Cb 0.14 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 2ftu h HIS 63 CO 0.01 0.76 -0.17 1.49 -0.00 0.00 0.00 177.93 180.02 2ftu h GLU 64 N 0.21 -0.20 0.00 5.26 4.81 -1.08 0.22 114.58 123.80 2ftu h GLU 64 Ca 0.05 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2ftu h GLU 64 Cb 0.60 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2ftu h GLU 64 CO 0.03 -0.13 -0.11 0.87 -0.73 0.00 0.00 179.01 178.94 2ftu h LYS 65 N -0.21 0.00 0.33 1.92 1.79 -1.04 -1.52 116.57 117.83 2ftu h LYS 65 Ca 0.10 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2ftu h LYS 65 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2ftu h LYS 65 CO -0.26 0.11 -0.16 1.25 -1.08 0.00 0.00 179.45 179.31 2ftu h LEU 66 N 0.00 -0.37 -1.07 2.94 6.46 0.86 -0.67 115.31 123.47 2ftu h LEU 66 Ca -0.00 -0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.66 2ftu h LEU 66 Cb 0.41 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 2ftu h LEU 66 CO 0.01 -0.02 0.62 -0.09 -0.62 0.00 0.00 178.44 178.35 2ftu h ARG 67 N -0.76 1.09 -0.32 1.25 2.43 -0.57 0.17 114.38 117.66 2ftu h ARG 67 Ca -0.04 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 2ftu h ARG 67 Cb 0.51 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2ftu h ARG 67 CO 0.07 0.72 -0.24 0.45 -1.51 0.00 0.00 179.97 179.47 2ftu h HIS 68 N 1.12 0.70 -0.24 2.20 3.86 -1.26 -0.19 115.15 121.34 2ftu h HIS 68 Ca 0.41 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 2ftu h HIS 68 Cb 0.18 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2ftu h HIS 68 CO -0.00 0.80 -0.05 0.00 0.86 0.00 0.00 177.93 179.54 2ftu h ALA 69 N 1.20 0.32 -0.44 2.45 0.00 0.20 -2.85 119.26 120.14 2ftu h ALA 69 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2ftu h ALA 69 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ftu h ALA 69 CO 0.05 0.11 0.03 0.93 0.00 0.00 0.00 179.25 180.37 2ftu h GLU 70 N 0.19 0.69 0.00 0.00 5.08 -0.54 -1.38 114.58 118.62 2ftu h GLU 70 Ca 0.06 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2ftu h GLU 70 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ftu h GLU 70 CO 0.02 0.68 0.00 0.43 -1.00 0.00 0.00 179.01 179.14 2ftu n SER 71 N -4.26 0.00 -0.11 1.42 7.64 -0.10 -3.10 113.62 115.12 2ftu n SER 71 Ca 0.02 -0.39 -0.14 0.00 1.01 0.00 0.00 58.87 59.38 2ftu n SER 71 Cb 0.26 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 2ftu n SER 71 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2ftu n VAL 72 N -1.16 1.46 -0.03 0.44 3.14 -0.57 -5.03 118.33 116.58 2ftu n VAL 72 Ca 0.15 -0.73 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 2ftu n VAL 72 Cb 0.15 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.99 2ftu n VAL 72 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ftu n GLY 73 N 1.96 0.65 3.56 7.55 0.00 -0.88 -5.02 105.19 113.01 2ftu n GLY 73 Ca -0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2ftu n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ftu s ASP 74 N -2.71 5.23 0.45 1.61 -1.08 -1.25 -4.84 116.67 114.08 2ftu s ASP 74 Ca 0.00 -0.50 0.10 0.00 -0.52 0.00 0.00 52.55 51.64 2ftu s ASP 74 Cb 0.00 -2.55 1.00 0.00 -1.46 0.00 0.00 42.92 39.90 2ftu s ASP 74 CO 0.00 -2.62 2.08 1.23 0.52 0.00 0.00 175.17 176.38 2ftu h GLY 75 N 17.34 0.34 0.85 2.66 0.00 -1.95 -1.61 103.07 120.70 2ftu h GLY 75 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2ftu h GLY 75 CO 1.22 0.13 -0.22 0.83 0.00 0.00 0.00 176.54 178.50 2ftu h GLU 76 N 0.33 -0.59 -0.05 4.80 4.39 -2.00 -1.45 114.58 120.02 2ftu h GLU 76 Ca 0.09 0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 2ftu h GLU 76 Cb 0.00 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2ftu h GLU 76 CO -0.02 -0.32 -0.30 0.07 -1.16 0.00 0.00 179.01 177.28 2ftu h ARG 77 N -0.77 0.09 0.44 2.33 0.11 -1.93 -0.84 114.38 113.81 2ftu h ARG 77 Ca -0.06 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2ftu h ARG 77 Cb 0.54 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2ftu h ARG 77 CO 0.10 0.39 -0.21 0.28 0.10 0.00 0.00 179.97 180.63 2ftu h VAL 78 N 0.08 0.54 0.09 0.08 2.07 -1.14 0.21 116.25 118.18 2ftu h VAL 78 Ca 0.01 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2ftu h VAL 78 Cb 0.58 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2ftu h VAL 78 CO 0.04 0.05 -0.16 0.28 0.02 0.00 0.00 177.57 177.80 2ftu h SER 79 N -0.77 -0.44 -0.45 0.57 0.02 -1.14 -0.33 113.55 111.02 2ftu h SER 79 Ca -0.06 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2ftu h SER 79 Cb 0.54 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2ftu h SER 79 CO 0.10 -0.23 0.16 -0.09 -1.14 0.00 0.00 176.83 175.63 2ftu h ARG 80 N -0.31 0.75 0.36 3.45 2.43 -1.17 0.10 114.38 119.99 2ftu h ARG 80 Ca 0.02 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2ftu h ARG 80 Cb 0.33 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2ftu h ARG 80 CO -0.09 0.65 -0.52 0.77 -1.51 0.00 0.00 179.97 179.27 2ftu h SER 81 N 0.73 -1.48 -0.63 -3.80 0.02 -0.61 -1.86 113.55 105.92 2ftu h SER 81 Ca 0.17 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 2ftu h SER 81 Cb 0.22 0.51 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 2ftu h SER 81 CO -0.01 -0.63 0.43 0.03 -1.14 0.00 0.00 176.83 175.51 2ftu h ARG 82 N -0.92 0.33 0.19 3.45 2.47 0.03 0.14 114.38 120.06 2ftu h ARG 82 Ca -0.04 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2ftu h ARG 82 Cb 0.84 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2ftu h ARG 82 CO -0.15 0.22 -0.09 1.49 0.56 0.00 0.00 179.97 181.99 2ftu h GLU 83 N 0.34 -0.24 -0.35 0.04 4.81 -0.60 0.10 114.58 118.67 2ftu h GLU 83 Ca 0.30 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 2ftu h GLU 83 Cb 0.71 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2ftu h GLU 83 CO -0.08 0.17 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.10 2ftu h LYS 84 N -0.78 0.58 -0.13 1.92 3.11 -1.13 -1.91 116.57 118.22 2ftu h LYS 84 Ca -0.03 -0.15 -0.00 0.00 -2.81 0.00 0.00 60.65 57.67 2ftu h LYS 84 Cb 0.52 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 2ftu h LYS 84 CO 0.04 0.63 0.08 1.25 -2.81 0.00 0.00 179.45 178.64 2ftu h HIS 85 N 0.54 0.17 -0.67 1.91 2.76 -0.64 0.35 115.15 119.58 2ftu h HIS 85 Ca 0.11 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2ftu h HIS 85 Cb 0.42 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 2ftu h HIS 85 CO 0.02 0.16 0.36 0.00 -1.30 0.00 0.00 177.93 177.17 2ftu h ALA 86 N 0.99 0.86 -0.08 5.26 0.00 -0.58 0.14 119.26 125.86 2ftu h ALA 86 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ftu h ALA 86 Cb 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2ftu h ALA 86 CO -0.01 0.38 -0.16 1.25 0.00 0.00 0.00 179.25 180.71 2ftu h LEU 87 N 0.92 -0.50 0.42 0.00 5.85 -1.16 -0.51 115.31 120.33 2ftu h LEU 87 Ca 0.24 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 2ftu h LEU 87 Cb 0.05 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2ftu h LEU 87 CO -0.04 -0.22 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.44 2ftu h LEU 88 N -0.23 -0.87 -0.81 2.25 4.07 -0.31 -1.82 115.31 117.58 2ftu h LEU 88 Ca 0.08 0.07 0.16 0.00 0.08 0.00 0.00 57.88 58.27 2ftu h LEU 88 Cb 0.34 0.28 -0.10 0.00 1.08 0.00 0.00 40.66 42.26 2ftu h LEU 88 CO -0.21 -0.49 0.35 -0.33 -1.08 0.00 0.00 178.44 176.67 2ftu h GLU 89 N -0.74 0.45 0.33 1.13 4.39 -0.72 -0.96 114.58 118.46 2ftu h GLU 89 Ca -0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2ftu h GLU 89 Cb 0.64 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2ftu h GLU 89 CO -0.01 0.30 -0.37 0.78 -1.16 0.00 0.00 179.01 178.54 2ftu h GLY 90 N 0.46 -1.13 2.00 -3.84 0.00 -0.59 -1.56 103.07 98.41 2ftu h GLY 90 Ca 0.46 0.53 -0.02 0.00 0.00 0.00 0.00 47.33 48.30 2ftu h GLY 90 CO -0.43 -0.34 -0.09 0.07 0.00 0.00 0.00 176.54 175.74 2ftu h ARG 91 N -0.71 0.00 0.57 4.80 -0.00 -0.83 -1.78 114.38 116.43 2ftu h ARG 91 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.91 2ftu h ARG 91 Cb 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.60 2ftu h ARG 91 CO -0.07 0.09 -0.28 1.15 -0.00 0.00 0.00 179.97 180.87 2ftu h THR 92 N 0.00 0.00 0.00 0.08 2.02 -0.77 0.11 112.91 114.35 2ftu h THR 92 Ca -0.00 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2ftu h THR 92 Cb 0.18 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2ftu h THR 92 CO 0.01 0.00 -0.11 0.11 0.37 0.00 0.00 175.52 175.91 2ftu h LYS 93 N -0.92 0.00 0.89 6.66 1.57 -1.21 0.53 116.57 124.10 2ftu h LYS 93 Ca -0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2ftu h LYS 93 Cb 0.59 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 2ftu h LYS 93 CO 0.13 0.11 -0.43 1.49 -0.57 0.00 0.00 179.45 180.18 2ftu h GLU 94 N 0.00 -1.16 -0.24 3.15 4.57 -1.26 -1.68 114.58 117.96 2ftu h GLU 94 Ca -0.00 0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 2ftu h GLU 94 Cb 0.19 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2ftu h GLU 94 CO 0.01 -0.77 -0.25 1.25 -1.18 0.00 0.00 179.01 178.08 2ftu h LEU 95 N -1.22 0.45 -0.06 1.64 7.12 -0.21 -1.73 115.31 121.30 2ftu h LEU 95 Ca -0.12 -0.15 0.02 0.00 0.13 0.00 0.00 57.88 57.76 2ftu h LEU 95 Cb 0.92 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.91 2ftu h LEU 95 CO 0.20 0.70 -0.07 1.23 -0.13 0.00 0.00 178.44 180.37 2ftu h GLY 96 N 1.01 -0.01 0.54 3.75 0.00 -0.95 0.15 103.07 107.56 2ftu h GLY 96 Ca 0.06 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.53 2ftu h GLY 96 CO 0.05 -0.08 0.12 -1.82 0.00 0.00 0.00 176.54 174.81 2ftu h TYR 97 N -0.09 0.20 -0.13 5.60 3.20 -0.71 0.15 116.97 125.19 2ftu h TYR 97 Ca 0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2ftu h TYR 97 Cb 0.16 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2ftu h TYR 97 CO -0.17 0.05 0.07 1.15 -1.64 0.00 0.00 178.16 177.62 2ftu h THR 98 N 0.27 1.10 -0.33 1.81 2.02 -1.05 -1.73 112.91 114.99 2ftu h THR 98 Ca 0.20 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.17 2ftu h THR 98 Cb 0.22 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 2ftu h THR 98 CO -0.24 0.09 -0.23 0.58 0.37 0.00 0.00 175.52 176.09 2ftu h VAL 99 N 0.10 0.38 0.30 3.16 2.07 -0.31 -1.42 116.25 120.52 2ftu h VAL 99 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2ftu h VAL 99 Cb 0.09 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2ftu h VAL 99 CO -0.01 0.00 -0.46 0.50 0.02 0.00 0.00 177.57 177.63 2ftu h LYS 100 N -0.19 -0.78 -0.25 1.57 3.11 0.03 0.24 116.57 120.29 2ftu h LYS 100 Ca 0.17 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.04 2ftu h LYS 100 Cb 0.46 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 2ftu h LYS 100 CO -0.45 -0.52 0.07 0.87 -2.81 0.00 0.00 179.45 176.61 2ftu h LYS 101 N -0.81 0.39 0.23 1.90 1.57 -1.20 0.19 116.57 118.84 2ftu h LYS 101 Ca -0.02 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ftu h LYS 101 Cb 0.76 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2ftu h LYS 101 CO -0.16 0.48 -0.30 1.25 -0.57 0.00 0.00 179.45 180.15 2ftu h HIS 102 N 0.23 -0.82 -0.72 -1.35 2.76 -1.08 -1.41 115.15 112.77 2ftu h HIS 102 Ca 0.08 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 2ftu h HIS 102 Cb 0.26 0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 2ftu h HIS 102 CO 0.01 -0.43 0.42 1.37 -1.30 0.00 0.00 177.93 178.01 2ftu h LEU 103 N -0.60 0.66 -1.01 0.26 8.10 -0.45 -1.63 115.31 120.64 2ftu h LEU 103 Ca 0.00 0.02 0.05 0.00 0.11 0.00 0.00 57.88 58.06 2ftu h LEU 103 Cb 0.57 -0.12 -0.06 0.00 -0.44 0.00 0.00 40.66 40.61 2ftu h LEU 103 CO -0.11 0.44 0.66 -0.61 -4.11 0.00 0.00 178.44 174.71 2ftu h GLN 104 N 0.80 1.21 0.26 0.17 4.15 -0.41 0.31 115.11 121.59 2ftu h GLN 104 Ca 0.31 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 2ftu h GLN 104 Cb 0.13 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.55 2ftu h GLN 104 CO -0.16 0.80 -0.12 0.22 -1.93 0.00 0.00 178.83 177.64 2ftu h ASP 105 N 1.24 -0.29 -0.43 -0.69 3.58 -0.38 -0.78 116.42 118.67 2ftu h ASP 105 Ca 0.41 -0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.86 2ftu h ASP 105 Cb 0.05 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 2ftu h ASP 105 CO -0.14 -0.13 0.16 -0.07 -2.88 0.00 0.00 179.24 176.18 2ftu h LEU 106 N -0.44 0.18 -1.60 2.28 4.07 -0.57 -1.03 115.31 118.20 2ftu h LEU 106 Ca -0.04 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2ftu h LEU 106 Cb 0.33 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2ftu h LEU 106 CO 0.06 0.14 -0.19 -1.28 -1.08 0.00 0.00 178.44 176.08 2ftu h SER 107 N 0.33 0.00 0.47 -0.43 0.87 -0.36 0.12 113.55 114.55 2ftu h SER 107 Ca 0.20 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2ftu h SER 107 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2ftu h SER 107 CO -0.19 0.19 -0.23 1.23 -0.53 0.00 0.00 176.83 177.30 2ftu h GLY 108 N 1.20 -0.66 0.63 5.77 0.00 -0.12 -3.29 103.07 106.60 2ftu h GLY 108 Ca -0.00 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2ftu h GLY 108 CO 0.02 -0.24 -0.30 3.21 0.00 0.00 0.00 176.54 179.23 2ftu h ARG 109 N -0.85 -0.81 -0.21 4.80 2.47 0.02 -3.17 114.38 116.62 2ftu h ARG 109 Ca -0.06 0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2ftu h ARG 109 Cb 0.57 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 2ftu h ARG 109 CO 0.11 -0.54 0.15 0.82 0.56 0.00 0.00 179.97 181.06 2ftu h ILE 110 N -0.87 0.93 0.00 2.04 1.08 -1.03 -2.57 117.51 117.09 2ftu h ILE 110 Ca -0.09 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2ftu h ILE 110 Cb 0.65 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 2ftu h ILE 110 CO 0.14 0.01 0.00 -1.28 -0.69 0.00 0.00 178.15 176.34 2ftu h SER 111 N 0.08 0.00 0.31 1.72 0.87 -1.62 0.09 113.55 115.00 2ftu h SER 111 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2ftu h SER 111 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2ftu h SER 111 CO -0.01 0.00 -1.48 -2.11 -0.53 0.00 0.00 176.83 172.71 2ftu n ARG 112 N -2.68 0.50 0.00 2.24 1.85 -0.97 -5.00 116.66 112.60 2ftu n ARG 112 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 2ftu n ARG 112 Cb 0.20 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 2ftu n ARG 112 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ftu n ALA 113 N -2.07 0.00 0.00 2.89 0.00 0.01 -4.77 120.51 116.57 2ftu n ALA 113 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ftu n ALA 113 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2ftu n ALA 113 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ftu n ARG 114 N 0.00 0.00 0.00 0.00 1.85 -1.26 -4.82 116.66 112.43 2ftu n ARG 114 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2ftu n ARG 114 Cb 0.00 -2.18 0.00 0.00 -1.05 0.00 0.00 32.46 29.23 2ftu n ARG 114 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ftu n HIS 115 N -0.71 -1.07 0.00 2.89 8.25 -1.26 -4.95 115.22 118.37 2ftu n HIS 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ftu n HIS 115 Cb 0.00 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2ftu n HIS 115 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ftu n ASN 116 N -3.23 0.00 0.00 0.41 5.15 -1.26 -3.94 115.26 112.38 2ftu n ASN 116 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2ftu n ASN 116 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2ftu n ASN 116 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2ftu n GLU 117 N 0.00 0.00 -0.32 1.20 2.13 -1.26 -3.65 120.64 118.75 2ftu n GLU 117 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2ftu n GLU 117 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2ftu n GLU 117 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19