#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 1.85 -3.36 8.89 0.24 -1.26 -4.99 118.33 119.70 2ftu n VAL 2 Ca 0.00 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 2ftu n VAL 2 Cb 0.00 -1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 31.25 2ftu n VAL 2 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ftu s SER 3 N -0.46 1.03 0.26 -1.34 0.15 -1.26 -4.94 113.70 107.13 2ftu s SER 3 Ca 0.60 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2ftu s SER 3 Cb -0.70 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2ftu s SER 3 CO 0.59 -0.37 0.00 0.00 1.20 0.00 0.00 173.24 174.66 2ftu n HIS 4 N 5.33 -3.54 -3.64 3.44 1.44 -1.26 -4.76 115.22 112.23 2ftu n HIS 4 Ca -0.01 0.89 -0.20 0.00 -2.01 0.00 0.00 57.72 56.39 2ftu n HIS 4 Cb 0.48 2.40 0.00 0.00 0.12 0.00 0.00 29.99 32.99 2ftu n HIS 4 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2ftu n GLN 5 N -3.02 -1.52 -3.62 -1.40 6.02 -1.26 -5.04 117.38 107.55 2ftu n GLN 5 Ca 0.00 0.92 -0.34 0.00 -0.01 0.00 0.00 57.00 57.57 2ftu n GLN 5 Cb 0.00 -2.96 -0.05 0.00 1.02 0.00 0.00 30.24 28.25 2ftu n GLN 5 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2ftu s GLY 6 N -2.95 2.30 0.03 1.08 0.00 -1.26 -5.13 107.32 101.40 2ftu s GLY 6 Ca 0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 44.72 44.19 2ftu s GLY 6 CO 0.87 -0.26 0.19 -0.19 0.00 0.00 0.00 173.10 173.71 2ftu s TYR 7 N -1.45 0.05 0.01 1.90 2.02 -1.26 -4.88 117.35 113.74 2ftu s TYR 7 Ca 0.34 -0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.79 2ftu s TYR 7 Cb -0.13 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.40 2ftu s TYR 7 CO 0.19 -0.42 0.00 -1.13 -1.57 0.00 0.00 175.55 172.63 2ftu n SER 8 N 0.77 -6.65 0.00 2.29 3.41 -1.26 -4.50 113.62 107.68 2ftu n SER 8 Ca -0.19 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2ftu n SER 8 Cb 0.58 -3.67 0.00 0.00 -0.26 0.00 0.00 64.21 60.87 2ftu n SER 8 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2ftu n THR 9 N 1.15 0.00 -3.51 6.66 5.66 -1.26 -4.86 114.28 118.12 2ftu n THR 9 Ca -0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.68 2ftu n THR 9 Cb 0.01 -0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 67.97 2ftu n THR 9 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ftu n GLU 10 N 0.18 2.68 0.00 1.09 1.02 -1.26 -5.01 120.64 119.34 2ftu n GLU 10 Ca 0.00 -4.58 0.00 0.00 -0.02 0.00 0.00 57.16 52.56 2ftu n GLU 10 Cb 0.31 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 2ftu n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ftu n ALA 11 N 1.45 0.00 -1.57 0.62 0.00 -1.26 -4.41 120.51 115.34 2ftu n ALA 11 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2ftu n ALA 11 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 0.00 0.00 -0.58 -1.26 -4.66 120.64 114.14 2ftu n GLU 12 Ca 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2ftu n GLU 12 Cb 0.00 -0.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 2ftu n GLU 12 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2ftu n PHE 13 N 0.00 0.00 -0.89 -0.32 3.72 -1.26 -4.76 117.46 113.95 2ftu n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2ftu n PHE 13 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.00 -0.93 -2.03 -1.08 1.02 -1.26 -4.95 120.64 111.41 2ftu n GLU 14 Ca 0.00 0.23 -0.41 0.00 -0.02 0.00 0.00 57.16 56.96 2ftu n GLU 14 Cb 0.00 -4.19 -0.02 0.00 -0.02 0.00 0.00 31.44 27.21 2ftu n GLU 14 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2ftu s GLU 15 N -1.14 4.29 0.52 3.49 2.12 -1.26 -4.86 118.70 121.87 2ftu s GLU 15 Ca 0.00 2.31 0.18 0.00 0.36 0.00 0.00 54.97 57.82 2ftu s GLU 15 Cb 0.00 -3.05 1.31 0.00 0.26 0.00 0.00 34.13 32.65 2ftu s GLU 15 CO 0.00 -0.30 2.12 -1.00 -0.54 0.00 0.00 175.26 175.55 2ftu h PRO 16 N 3.53 0.00 -0.49 4.30 0.13 -1.95 -3.18 132.00 134.34 2ftu h PRO 16 Ca -0.49 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2ftu h PRO 16 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2ftu h PRO 16 CO 0.67 0.00 -0.30 -0.09 -0.23 0.00 0.00 178.00 178.05 2ftu h ARG 17 N 0.00 -0.18 -0.14 0.86 2.43 -1.98 0.29 114.38 115.66 2ftu h ARG 17 Ca 0.05 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 2ftu h ARG 17 Cb 0.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2ftu h ARG 17 CO -0.00 -0.12 -0.33 -0.39 -1.51 0.00 0.00 179.97 177.63 2ftu h VAL 18 N -0.18 1.37 -0.94 0.20 -1.51 -1.96 -1.10 116.25 112.12 2ftu h VAL 18 Ca 0.21 -1.61 0.09 0.00 -1.23 0.00 0.00 66.70 64.16 2ftu h VAL 18 Cb 0.52 2.05 -0.07 0.00 -2.13 0.00 0.00 31.29 31.66 2ftu h VAL 18 CO -0.59 0.48 0.59 0.40 -1.23 0.00 0.00 177.57 177.21 2ftu h ILE 19 N 0.07 0.98 -0.35 7.19 1.08 -1.63 -1.74 117.51 123.11 2ftu h ILE 19 Ca -0.00 -0.34 -0.14 0.00 -0.39 0.00 0.00 64.86 63.99 2ftu h ILE 19 Cb 0.93 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2ftu h ILE 19 CO 0.07 0.18 -0.31 0.44 -0.69 0.00 0.00 178.15 177.84 2ftu h ASP 20 N 1.00 0.88 -0.50 1.72 3.32 -0.32 -0.91 116.42 121.62 2ftu h ASP 20 Ca 0.44 -0.46 0.08 0.00 0.02 0.00 0.00 57.03 57.12 2ftu h ASP 20 Cb 0.33 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 2ftu h ASP 20 CO -0.22 1.16 0.11 -0.07 -1.72 0.00 0.00 179.24 178.50 2ftu h LEU 21 N 0.62 0.03 -0.73 1.55 3.38 -0.58 -0.97 115.31 118.61 2ftu h LEU 21 Ca 0.06 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2ftu h LEU 21 Cb 0.90 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2ftu h LEU 21 CO 0.08 0.05 -0.25 -0.50 0.09 0.00 0.00 178.44 177.91 2ftu h TRP 22 N 0.26 0.79 -0.23 1.13 6.55 -1.20 -0.38 115.95 122.87 2ftu h TRP 22 Ca 0.25 -0.18 0.06 0.00 0.95 0.00 0.00 58.89 59.96 2ftu h TRP 22 Cb 0.32 -0.19 -0.06 0.00 -0.86 0.00 0.00 29.16 28.38 2ftu h TRP 22 CO -0.22 0.88 -0.14 0.22 -1.05 0.00 0.00 178.44 178.13 2ftu h ASP 23 N 0.60 -0.45 1.28 -3.49 1.82 0.11 -1.96 116.42 114.34 2ftu h ASP 23 Ca 0.08 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2ftu h ASP 23 Cb 0.74 0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2ftu h ASP 23 CO 0.06 -0.17 -0.36 0.17 -1.61 0.00 0.00 179.24 177.32 2ftu h LEU 24 N -0.12 0.00 -0.87 2.28 8.10 -1.33 -3.26 115.31 120.10 2ftu h LEU 24 Ca 0.13 -0.08 0.21 0.00 0.11 0.00 0.00 57.88 58.25 2ftu h LEU 24 Cb 0.31 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 40.41 2ftu h LEU 24 CO -0.31 0.04 0.37 0.00 -4.11 0.00 0.00 178.44 174.43 2ftu h ALA 25 N 2.36 1.37 -0.70 0.17 0.00 -0.26 -0.04 119.26 122.15 2ftu h ALA 25 Ca 0.00 0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2ftu h ALA 25 Cb 0.82 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 2ftu h ALA 25 CO 0.00 -0.32 0.09 0.37 0.00 0.00 0.00 179.25 179.39 2ftu h GLN 26 N 0.41 0.18 -0.00 0.00 4.15 -1.57 -2.17 115.11 116.11 2ftu h GLN 26 Ca 0.53 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.94 2ftu h GLN 26 Cb 0.98 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2ftu h GLN 26 CO -0.51 0.12 -0.64 0.43 -1.93 0.00 0.00 178.83 176.30 2ftu n SER 27 N -5.23 0.97 0.15 -0.69 7.64 -0.29 -4.69 113.62 111.48 2ftu n SER 27 Ca 0.12 -0.79 -0.11 0.00 1.01 0.00 0.00 58.87 59.11 2ftu n SER 27 Cb 0.43 0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 64.09 2ftu n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ftu h ALA 28 N 3.23 -0.44 -3.00 -0.43 0.00 -0.39 -3.50 119.26 114.74 2ftu h ALA 28 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ftu h ALA 28 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ftu h ALA 28 CO 0.00 -0.48 0.00 -1.71 0.00 0.00 0.00 179.25 177.06 2ftu n ASN 29 N -5.09 1.34 0.00 0.00 5.15 -1.26 -5.10 115.26 110.31 2ftu n ASN 29 Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 2ftu n ASN 29 Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 -4.28 1.20 4.77 -1.26 -4.96 117.00 112.47 2ftu n LEU 30 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2ftu n LEU 30 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2ftu n LEU 30 CO 0.00 0.00 -0.47 0.42 -1.33 0.00 0.00 177.39 176.01 2ftu s THR 31 N 0.00 1.55 0.38 -5.08 -4.23 -1.26 -5.02 115.64 101.98 2ftu s THR 31 Ca 0.00 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2ftu s THR 31 Cb 0.00 -1.64 0.30 0.00 1.34 0.00 0.00 72.50 72.50 2ftu s THR 31 CO 0.00 -0.33 1.96 0.44 -0.54 0.00 0.00 174.62 176.15 2ftu h ASP 32 N 3.50 0.59 0.26 3.99 5.19 -1.98 0.17 116.42 128.14 2ftu h ASP 32 Ca -0.41 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2ftu h ASP 32 Cb 1.20 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2ftu h ASP 32 CO 0.49 0.37 -0.12 0.50 -3.12 0.00 0.00 179.24 177.36 2ftu h LYS 33 N 0.67 -0.33 -0.24 3.56 1.63 -1.99 -2.30 116.57 117.55 2ftu h LYS 33 Ca 0.31 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.19 2ftu h LYS 33 Cb 0.34 0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.97 2ftu h LYS 33 CO -0.10 -0.00 -0.38 1.49 -3.45 0.00 0.00 179.45 177.00 2ftu h GLU 34 N -0.95 -0.38 -0.42 1.90 4.22 -1.83 -1.55 114.58 115.59 2ftu h GLU 34 Ca -0.04 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.51 2ftu h GLU 34 Cb 0.49 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 2ftu h GLU 34 CO 0.06 -0.25 -0.10 1.25 -2.18 0.00 0.00 179.01 177.78 2ftu h LEU 35 N -0.39 -0.39 -0.34 1.64 7.12 -0.75 0.26 115.31 122.46 2ftu h LEU 35 Ca 0.11 0.12 0.03 0.00 0.13 0.00 0.00 57.88 58.28 2ftu h LEU 35 Cb 0.58 0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 2ftu h LEU 35 CO -0.45 -0.14 0.15 -0.08 -0.13 0.00 0.00 178.44 177.79 2ftu h GLU 36 N -0.00 0.31 -0.42 1.25 4.57 -0.80 0.22 114.58 119.71 2ftu h GLU 36 Ca 0.20 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.22 2ftu h GLU 36 Cb 0.30 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2ftu h GLU 36 CO -0.43 0.21 -0.31 0.00 -1.18 0.00 0.00 179.01 177.30 2ftu h ALA 37 N 1.19 0.66 -0.54 2.92 0.00 -0.20 -1.59 119.26 121.70 2ftu h ALA 37 Ca 0.15 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2ftu h ALA 37 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2ftu h ALA 37 CO -0.12 0.67 0.03 0.35 0.00 0.00 0.00 179.25 180.18 2ftu h PHE 38 N 0.78 1.02 0.06 0.00 3.04 -0.43 -1.33 116.94 120.08 2ftu h PHE 38 Ca 0.08 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 2ftu h PHE 38 Cb 0.89 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.13 2ftu h PHE 38 CO 0.06 0.92 -0.03 -0.09 -2.02 0.00 0.00 178.31 177.15 2ftu h ARG 39 N 0.82 -0.07 0.08 1.11 1.12 -0.19 0.22 114.38 117.47 2ftu h ARG 39 Ca 0.16 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2ftu h ARG 39 Cb 0.49 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2ftu h ARG 39 CO 0.02 -0.02 -0.04 0.93 -3.11 0.00 0.00 179.97 177.76 2ftu h GLU 40 N -0.11 -0.10 -0.93 0.20 4.39 -1.34 0.09 114.58 116.79 2ftu h GLU 40 Ca -0.01 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.79 2ftu h GLU 40 Cb 0.09 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 2ftu h GLU 40 CO 0.01 0.00 0.57 1.49 -1.16 0.00 0.00 179.01 179.92 2ftu h GLU 41 N -0.18 0.94 0.01 2.33 4.81 -0.83 -0.83 114.58 120.84 2ftu h GLU 41 Ca -0.01 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 58.91 2ftu h GLU 41 Cb 0.15 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.33 2ftu h GLU 41 CO 0.02 0.62 -1.03 -0.07 -0.73 0.00 0.00 179.01 177.82 2ftu h LEU 42 N 0.96 0.74 -1.27 1.64 -0.00 -0.40 0.87 115.31 117.85 2ftu h LEU 42 Ca 0.43 -0.61 0.01 0.00 -0.00 0.00 0.00 57.88 57.72 2ftu h LEU 42 Cb 0.34 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 2ftu h LEU 42 CO -0.23 1.41 0.50 0.50 -0.00 0.00 0.00 178.44 180.62 2ftu h LYS 43 N 0.31 0.98 -0.40 1.13 3.11 -0.48 0.41 116.57 121.62 2ftu h LYS 43 Ca -0.11 -0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 57.52 2ftu h LYS 43 Cb 1.68 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.68 2ftu h LYS 43 CO 0.19 0.65 -0.33 0.45 -2.81 0.00 0.00 179.45 177.59 2ftu h HIS 44 N 1.01 1.11 0.63 1.91 3.86 -0.97 -1.98 115.15 120.72 2ftu h HIS 44 Ca 0.28 -0.32 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2ftu h HIS 44 Cb -0.10 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 28.14 2ftu h HIS 44 CO -0.00 1.14 -0.30 0.35 0.86 0.00 0.00 177.93 179.98 2ftu h PHE 45 N 0.76 -0.78 -0.53 2.45 3.04 0.06 -1.51 116.94 120.42 2ftu h PHE 45 Ca 0.07 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.08 2ftu h PHE 45 Cb 0.92 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.63 2ftu h PHE 45 CO 0.06 -0.45 0.20 1.05 -2.02 0.00 0.00 178.31 177.15 2ftu h GLU 46 N -0.95 0.37 -0.42 1.11 -0.00 -0.31 -0.95 114.58 113.43 2ftu h GLU 46 Ca -0.09 -0.02 0.06 0.00 -0.00 0.00 0.00 59.36 59.31 2ftu h GLU 46 Cb 0.68 -0.08 -0.05 0.00 -0.00 0.00 0.00 28.75 29.29 2ftu h GLU 46 CO 0.14 0.25 0.11 0.00 -0.00 0.00 0.00 179.01 179.51 2ftu h ALA 47 N 1.35 0.48 -0.13 1.06 0.00 -1.26 0.29 119.26 121.05 2ftu h ALA 47 Ca 0.26 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.28 2ftu h ALA 47 Cb 0.27 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2ftu h ALA 47 CO -0.25 -0.29 -0.50 -0.22 0.00 0.00 0.00 179.25 177.99 2ftu h LYS 48 N 0.25 -0.54 0.00 0.00 1.63 -0.23 -1.90 116.57 115.78 2ftu h LYS 48 Ca 0.20 0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.94 2ftu h LYS 48 Cb 0.23 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2ftu h LYS 48 CO -0.25 -0.36 -0.50 0.97 -3.45 0.00 0.00 179.45 175.86 2ftu h ILE 49 N -0.56 1.08 -0.25 2.00 2.10 -0.45 -0.78 117.51 120.65 2ftu h ILE 49 Ca 0.05 -1.92 -0.00 0.00 1.08 0.00 0.00 64.86 64.07 2ftu h ILE 49 Cb 0.67 2.12 -0.01 0.00 -1.09 0.00 0.00 36.82 38.51 2ftu h ILE 49 CO -0.43 0.49 0.16 -0.08 -1.08 0.00 0.00 178.15 177.21 2ftu h GLU 50 N 0.00 0.34 0.17 2.19 4.22 -0.28 0.14 114.58 121.36 2ftu h GLU 50 Ca -0.01 -0.03 -0.29 0.00 0.08 0.00 0.00 59.36 59.11 2ftu h GLU 50 Cb 1.08 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.28 2ftu h GLU 50 CO 0.07 0.26 -1.32 0.87 -2.18 0.00 0.00 179.01 176.70 2ftu h LYS 51 N 0.32 0.35 -0.10 1.92 1.57 -1.11 -0.51 116.57 119.01 2ftu h LYS 51 Ca 0.09 -0.60 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 2ftu h LYS 51 Cb 0.00 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2ftu h LYS 51 CO -0.02 1.29 -0.41 1.25 -0.57 0.00 0.00 179.45 180.99 2ftu h HIS 52 N 0.10 -1.16 -0.72 -1.35 2.76 -1.15 -1.52 115.15 112.10 2ftu h HIS 52 Ca -0.17 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.20 2ftu h HIS 52 Cb 2.03 0.52 -0.12 0.00 1.55 0.00 0.00 27.41 31.40 2ftu h HIS 52 CO 0.08 -0.47 0.10 -0.91 -1.30 0.00 0.00 177.93 175.43 2ftu h ASN 53 N -0.50 -0.15 -0.48 3.26 2.35 -0.63 0.11 115.58 119.54 2ftu h ASN 53 Ca 0.07 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2ftu h ASN 53 Cb 0.62 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 2ftu h ASN 53 CO -0.37 -0.10 0.32 -0.74 -1.65 0.00 0.00 177.43 174.88 2ftu h HIS 54 N 0.19 0.60 0.08 1.19 2.76 -0.64 -0.95 115.15 118.37 2ftu h HIS 54 Ca 0.40 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 2ftu h HIS 54 Cb 0.69 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2ftu h HIS 54 CO -0.33 0.37 -0.04 1.88 -1.30 0.00 0.00 177.93 178.52 2ftu h TYR 55 N 0.65 -0.10 -0.89 5.26 -1.99 -0.12 -1.59 116.97 118.18 2ftu h TYR 55 Ca 0.18 -0.00 0.23 0.00 2.00 0.00 0.00 58.73 61.14 2ftu h TYR 55 Cb -0.07 0.03 -0.13 0.00 2.00 0.00 0.00 36.73 38.56 2ftu h TYR 55 CO -0.04 0.21 0.34 1.96 -0.00 0.00 0.00 178.16 180.62 2ftu h GLN 56 N -0.42 0.30 0.12 4.88 1.08 -0.58 0.27 115.11 120.77 2ftu h GLN 56 Ca -0.01 -0.02 -0.30 0.00 -1.45 0.00 0.00 58.65 56.87 2ftu h GLN 56 Cb 0.36 -0.07 0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2ftu h GLN 56 CO 0.02 0.20 -1.25 -0.22 -0.95 0.00 0.00 178.83 176.63 2ftu h LYS 57 N 0.31 0.63 0.00 1.46 3.64 -1.09 -1.74 116.57 119.77 2ftu h LYS 57 Ca 0.57 -0.84 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2ftu h LYS 57 Cb 1.12 0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2ftu h LYS 57 CO -0.58 1.38 -0.04 1.96 -2.27 0.00 0.00 179.45 179.90 2ftu h GLN 58 N 0.28 0.00 0.07 1.90 1.08 -0.24 -1.87 115.11 116.33 2ftu h GLN 58 Ca -0.19 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2ftu h GLN 58 Cb 1.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.35 2ftu h GLN 58 CO 0.24 0.04 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.06 2ftu h LEU 59 N 0.00 -0.08 0.26 1.46 3.38 0.21 0.81 115.31 121.35 2ftu h LEU 59 Ca -0.00 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2ftu h LEU 59 Cb 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2ftu h LEU 59 CO 0.01 0.28 -0.37 -0.08 0.09 0.00 0.00 178.44 178.36 2ftu h GLU 60 N -0.45 -0.67 0.00 1.13 4.22 -1.07 0.14 114.58 117.88 2ftu h GLU 60 Ca -0.01 0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.39 2ftu h GLU 60 Cb 0.39 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ftu h GLU 60 CO 0.02 -0.45 -0.40 0.82 -2.18 0.00 0.00 179.01 176.82 2ftu h ILE 61 N -0.70 1.21 -0.42 2.32 2.04 -1.40 -1.58 117.51 118.98 2ftu h ILE 61 Ca -0.00 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 2ftu h ILE 61 Cb 0.67 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2ftu h ILE 61 CO -0.13 0.39 0.09 0.00 0.00 0.00 0.00 178.15 178.50 2ftu h ALA 62 N 1.60 0.56 -0.46 1.87 0.00 -0.42 -1.95 119.26 120.46 2ftu h ALA 62 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ftu h ALA 62 Cb 0.75 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2ftu h ALA 62 CO 0.05 0.25 0.30 1.25 0.00 0.00 0.00 179.25 181.10 2ftu h HIS 63 N 0.55 0.57 0.68 0.00 -0.00 0.19 0.87 115.15 117.99 2ftu h HIS 63 Ca 0.13 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 2ftu h HIS 63 Cb 0.34 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 2ftu h HIS 63 CO 0.02 0.36 -0.44 1.49 -0.00 0.00 0.00 177.93 179.36 2ftu h GLU 64 N 0.61 -1.02 -0.58 5.26 4.81 -1.30 0.94 114.58 123.30 2ftu h GLU 64 Ca 0.17 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 2ftu h GLU 64 Cb -0.07 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2ftu h GLU 64 CO -0.04 -0.68 0.26 -0.22 -0.73 0.00 0.00 179.01 177.60 2ftu h LYS 65 N -1.05 0.46 0.11 1.92 3.11 -1.13 -1.20 116.57 118.79 2ftu h LYS 65 Ca -0.09 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.73 2ftu h LYS 65 Cb 0.86 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.97 2ftu h LYS 65 CO 0.07 0.31 -0.14 1.25 -2.81 0.00 0.00 179.45 178.13 2ftu h LEU 66 N 0.48 -0.38 -0.94 5.20 5.85 -0.73 -0.19 115.31 124.60 2ftu h LEU 66 Ca 0.28 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.17 2ftu h LEU 66 Cb 0.27 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 2ftu h LEU 66 CO -0.24 -0.21 0.56 0.03 -0.34 0.00 0.00 178.44 178.24 2ftu h ARG 67 N -0.29 0.81 0.00 1.25 3.08 0.16 0.50 114.38 119.89 2ftu h ARG 67 Ca 0.01 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2ftu h ARG 67 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2ftu h ARG 67 CO -0.06 0.54 -0.26 1.25 -1.07 0.00 0.00 179.97 180.37 2ftu h HIS 68 N 0.84 0.00 0.00 3.04 2.76 -0.71 -2.32 115.15 118.76 2ftu h HIS 68 Ca 0.49 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.58 2ftu h HIS 68 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 2ftu h HIS 68 CO -0.03 0.26 -2.01 0.00 -1.30 0.00 0.00 177.93 174.85 2ftu n ALA 69 N -2.24 2.47 -0.19 5.26 0.00 -0.09 -3.79 120.51 121.93 2ftu n ALA 69 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.72 2ftu n ALA 69 Cb 0.45 -0.57 0.03 0.00 0.00 0.00 0.00 19.45 19.37 2ftu n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ftu h GLU 70 N 0.00 0.73 0.00 0.00 5.08 -0.13 -2.49 114.58 117.78 2ftu h GLU 70 Ca -0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ftu h GLU 70 Cb 1.22 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ftu h GLU 70 CO 0.01 0.48 0.00 0.45 -1.00 0.00 0.00 179.01 178.95 2ftu n SER 71 N -4.70 0.00 -0.02 1.42 2.88 -0.88 -1.46 113.62 110.86 2ftu n SER 71 Ca 0.04 -0.24 -0.07 0.00 -1.33 0.00 0.00 58.87 57.27 2ftu n SER 71 Cb 0.03 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.35 2ftu n SER 71 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2ftu n VAL 72 N -0.78 1.53 -0.60 2.46 0.31 -0.94 -5.00 118.33 115.32 2ftu n VAL 72 Ca 0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 2ftu n VAL 72 Cb 0.01 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 2ftu n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ftu n GLY 73 N 1.55 0.77 3.78 2.92 0.00 -0.54 -5.07 105.19 108.60 2ftu n GLY 73 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.66 5.84 -0.00 1.61 -1.08 -1.26 -5.00 116.67 114.12 2ftu s ASP 74 Ca 0.00 2.10 0.01 0.00 -0.52 0.00 0.00 52.55 54.14 2ftu s ASP 74 Cb 0.00 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 2ftu s ASP 74 CO 0.00 -1.13 0.02 0.61 0.52 0.00 0.00 175.17 175.19 2ftu n GLY 75 N 0.00 0.64 0.07 2.66 0.00 -1.26 -4.58 105.19 102.72 2ftu n GLY 75 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2ftu n GLY 75 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ftu h GLU 76 N 0.00 -0.01 0.00 1.61 4.81 -1.99 -2.62 114.58 116.37 2ftu h GLU 76 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2ftu h GLU 76 Cb 0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2ftu h GLU 76 CO 0.00 0.66 -0.11 0.07 -0.73 0.00 0.00 179.01 178.90 2ftu h ARG 77 N -0.98 0.00 0.76 1.92 0.11 -1.96 -1.74 114.38 112.49 2ftu h ARG 77 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2ftu h ARG 77 Cb 0.68 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.77 2ftu h ARG 77 CO 0.00 0.11 -0.36 0.28 0.10 0.00 0.00 179.97 180.10 2ftu h VAL 78 N 0.00 0.00 -0.59 0.08 2.07 -1.81 -1.77 116.25 114.23 2ftu h VAL 78 Ca -0.00 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.53 2ftu h VAL 78 Cb 0.23 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 2ftu h VAL 78 CO 0.01 0.00 0.08 0.28 0.02 0.00 0.00 177.57 177.96 2ftu h SER 79 N -1.12 -0.10 -0.16 0.57 0.02 -1.01 0.14 113.55 111.89 2ftu h SER 79 Ca -0.10 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2ftu h SER 79 Cb 0.78 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2ftu h SER 79 CO 0.17 -0.04 0.08 -0.09 -1.14 0.00 0.00 176.83 175.82 2ftu h ARG 80 N 0.20 0.23 -0.10 3.45 1.12 -1.38 -1.31 114.38 116.60 2ftu h ARG 80 Ca 0.31 -0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.19 2ftu h ARG 80 Cb 0.48 -0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 30.33 2ftu h ARG 80 CO -0.44 0.27 -0.36 0.77 -3.11 0.00 0.00 179.97 177.09 2ftu h SER 81 N 0.15 -1.12 0.43 -3.80 0.02 -0.36 -1.86 113.55 107.01 2ftu h SER 81 Ca 0.06 0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2ftu h SER 81 Cb 0.11 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2ftu h SER 81 CO -0.01 -0.40 -0.50 -0.09 -1.14 0.00 0.00 176.83 174.70 2ftu h ARG 82 N -0.46 0.08 -0.11 3.45 2.43 -0.47 0.91 114.38 120.20 2ftu h ARG 82 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2ftu h ARG 82 Cb 0.59 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2ftu h ARG 82 CO -0.35 0.56 -0.01 1.49 -1.51 0.00 0.00 179.97 180.15 2ftu h GLU 83 N 0.06 0.20 -0.34 0.20 4.57 -1.17 -1.67 114.58 116.43 2ftu h GLU 83 Ca -0.00 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2ftu h GLU 83 Cb 0.91 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2ftu h GLU 83 CO 0.07 0.46 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.10 2ftu h LYS 84 N -0.09 0.54 0.21 1.92 3.11 -0.90 -1.77 116.57 119.59 2ftu h LYS 84 Ca 0.03 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2ftu h LYS 84 Cb 0.38 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 2ftu h LYS 84 CO 0.01 0.59 -0.19 1.25 -2.81 0.00 0.00 179.45 178.30 2ftu h HIS 85 N 0.51 -0.51 -0.58 1.91 2.76 -0.55 -0.35 115.15 118.35 2ftu h HIS 85 Ca 0.10 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2ftu h HIS 85 Cb 0.39 0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 2ftu h HIS 85 CO 0.01 -0.29 0.28 0.00 -1.30 0.00 0.00 177.93 176.63 2ftu h ALA 86 N 0.30 0.75 -0.29 5.26 0.00 -0.94 0.56 119.26 124.91 2ftu h ALA 86 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2ftu h ALA 86 Cb 0.40 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2ftu h ALA 86 CO -0.04 -0.07 -0.01 1.25 0.00 0.00 0.00 179.25 180.38 2ftu h LEU 87 N 0.53 -0.15 -0.35 0.00 5.85 -1.08 0.45 115.31 120.57 2ftu h LEU 87 Ca 0.27 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2ftu h LEU 87 Cb 0.21 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2ftu h LEU 87 CO -0.20 -0.04 0.16 -0.07 -0.34 0.00 0.00 178.44 177.95 2ftu h LEU 88 N 0.07 0.46 -1.35 2.25 3.38 -0.22 -1.76 115.31 118.14 2ftu h LEU 88 Ca 0.14 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2ftu h LEU 88 Cb 0.19 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2ftu h LEU 88 CO -0.25 0.47 0.48 -0.33 0.09 0.00 0.00 178.44 178.90 2ftu h GLU 89 N 0.42 0.80 0.34 1.13 4.39 -0.62 -0.36 114.58 120.68 2ftu h GLU 89 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2ftu h GLU 89 Cb 0.14 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2ftu h GLU 89 CO -0.01 0.53 -0.18 0.78 -1.16 0.00 0.00 179.01 178.96 2ftu h GLY 90 N 0.83 -0.51 1.34 -3.84 0.00 -0.48 -1.29 103.07 99.12 2ftu h GLY 90 Ca 0.30 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 2ftu h GLY 90 CO -0.09 -0.19 0.11 -0.09 0.00 0.00 0.00 176.54 176.27 2ftu h ARG 91 N -0.49 0.82 -0.17 4.80 1.12 -0.60 -1.98 114.38 117.88 2ftu h ARG 91 Ca -0.04 -0.18 -0.18 0.00 -1.11 0.00 0.00 59.98 58.47 2ftu h ARG 91 Cb 0.39 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.23 2ftu h ARG 91 CO 0.06 0.76 -0.64 1.79 -3.11 0.00 0.00 179.97 178.83 2ftu h THR 92 N 0.79 1.32 -0.32 0.20 1.35 -0.92 0.14 112.91 115.46 2ftu h THR 92 Ca 0.17 -1.90 0.01 0.00 -0.55 0.00 0.00 66.41 64.14 2ftu h THR 92 Cb 0.32 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2ftu h THR 92 CO 0.00 0.59 0.20 0.11 -0.25 0.00 0.00 175.52 176.17 2ftu h LYS 93 N 0.46 0.40 0.29 4.72 1.57 -1.16 0.86 116.57 123.69 2ftu h LYS 93 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ftu h LYS 93 Cb 1.21 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 2ftu h LYS 93 CO 0.12 0.26 -0.33 0.93 -0.57 0.00 0.00 179.45 179.87 2ftu h GLU 94 N 0.41 -0.64 -0.04 3.15 5.08 -1.12 -1.85 114.58 119.58 2ftu h GLU 94 Ca 0.12 0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.35 2ftu h GLU 94 Cb -0.02 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2ftu h GLU 94 CO -0.05 -0.42 -0.76 1.25 -1.00 0.00 0.00 179.01 178.03 2ftu h LEU 95 N -0.66 0.31 -0.92 1.33 7.12 -0.56 -1.11 115.31 120.82 2ftu h LEU 95 Ca -0.01 -0.22 -0.09 0.00 0.13 0.00 0.00 57.88 57.69 2ftu h LEU 95 Cb 0.61 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 2ftu h LEU 95 CO -0.09 0.96 -0.17 1.23 -0.13 0.00 0.00 178.44 180.24 2ftu h GLY 96 N 1.59 0.65 0.72 3.75 0.00 -0.86 0.27 103.07 109.20 2ftu h GLY 96 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.84 2ftu h GLY 96 CO 0.12 0.46 0.19 -1.82 0.00 0.00 0.00 176.54 175.48 2ftu h TYR 97 N 0.54 0.34 0.26 5.60 3.20 -0.97 -0.89 116.97 125.05 2ftu h TYR 97 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2ftu h TYR 97 Cb 0.60 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2ftu h TYR 97 CO 0.02 0.16 -0.12 1.15 -1.64 0.00 0.00 178.16 177.73 2ftu h THR 98 N 0.38 0.78 -0.28 1.81 2.02 -0.22 -1.49 112.91 115.90 2ftu h THR 98 Ca 0.19 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2ftu h THR 98 Cb 0.13 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 2ftu h THR 98 CO -0.16 0.04 -0.39 0.58 0.37 0.00 0.00 175.52 175.96 2ftu h VAL 99 N -0.44 0.17 0.28 3.16 2.07 -0.49 -1.86 116.25 119.14 2ftu h VAL 99 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2ftu h VAL 99 Cb 0.33 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2ftu h VAL 99 CO 0.06 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.90 2ftu h LYS 100 N -0.37 -0.54 0.11 1.57 3.64 -0.82 0.26 116.57 120.43 2ftu h LYS 100 Ca 0.12 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2ftu h LYS 100 Cb 0.58 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2ftu h LYS 100 CO -0.48 -0.36 -0.05 0.87 -2.27 0.00 0.00 179.45 177.15 2ftu h LYS 101 N -0.56 -0.15 -0.32 1.90 1.79 -1.19 -0.88 116.57 117.16 2ftu h LYS 101 Ca -0.01 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 2ftu h LYS 101 Cb 0.50 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 2ftu h LYS 101 CO -0.04 -0.08 -0.01 0.45 -1.08 0.00 0.00 179.45 178.69 2ftu h HIS 102 N -0.18 -0.05 -0.70 -1.35 3.86 -1.22 -1.86 115.15 113.66 2ftu h HIS 102 Ca -0.02 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 2ftu h HIS 102 Cb 0.14 0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.59 2ftu h HIS 102 CO -0.06 -0.07 0.29 -0.07 0.86 0.00 0.00 177.93 178.87 2ftu h LEU 103 N 0.07 0.30 -0.22 2.43 3.38 0.06 0.22 115.31 121.55 2ftu h LEU 103 Ca 0.16 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2ftu h LEU 103 Cb 0.22 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2ftu h LEU 103 CO -0.27 0.15 0.00 -0.61 0.09 0.00 0.00 178.44 177.79 2ftu h GLN 104 N 0.47 0.39 -0.11 1.13 4.15 -0.76 0.85 115.11 121.23 2ftu h GLN 104 Ca 0.37 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 2ftu h GLN 104 Cb 0.50 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 2ftu h GLN 104 CO -0.35 0.58 -0.03 0.22 -1.93 0.00 0.00 178.83 177.32 2ftu h ASP 105 N 0.16 0.21 -0.51 -0.69 3.58 -0.58 -1.47 116.42 117.12 2ftu h ASP 105 Ca 0.06 -0.37 0.10 0.00 0.42 0.00 0.00 57.03 57.24 2ftu h ASP 105 Cb 0.40 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.31 2ftu h ASP 105 CO 0.01 0.53 0.03 -0.07 -2.88 0.00 0.00 179.24 176.86 2ftu h LEU 106 N -0.11 -0.15 -0.86 2.28 3.38 -0.62 -0.55 115.31 118.68 2ftu h LEU 106 Ca 0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2ftu h LEU 106 Cb 0.44 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2ftu h LEU 106 CO 0.01 -0.05 0.42 -1.28 0.09 0.00 0.00 178.44 177.63 2ftu h SER 107 N 0.15 1.12 -0.34 -0.43 0.87 -0.71 0.16 113.55 114.38 2ftu h SER 107 Ca 0.26 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2ftu h SER 107 Cb 0.38 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2ftu h SER 107 CO -0.40 0.94 0.08 1.23 -0.53 0.00 0.00 176.83 178.16 2ftu h GLY 108 N 1.23 0.67 0.14 5.77 0.00 -0.32 -2.65 103.07 107.90 2ftu h GLY 108 Ca 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ftu h GLY 108 CO -0.04 0.35 -0.07 3.21 0.00 0.00 0.00 176.54 179.99 2ftu h ARG 109 N 0.61 -0.18 -0.19 4.80 3.08 -0.19 -3.23 114.38 119.08 2ftu h ARG 109 Ca 0.14 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2ftu h ARG 109 Cb 0.26 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2ftu h ARG 109 CO -0.00 -0.10 0.09 0.82 -1.07 0.00 0.00 179.97 179.71 2ftu h ILE 110 N -1.05 1.00 0.00 2.04 1.08 -0.83 -1.61 117.51 118.13 2ftu h ILE 110 Ca -0.02 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2ftu h ILE 110 Cb 0.16 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2ftu h ILE 110 CO 0.03 0.04 0.00 -0.24 -0.69 0.00 0.00 178.15 177.29 2ftu n SER 111 N -5.01 0.45 -0.06 1.72 2.88 -1.00 -1.78 113.62 110.83 2ftu n SER 111 Ca -0.03 0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 2ftu n SER 111 Cb 0.05 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 62.70 2ftu n SER 111 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2ftu h ARG 112 N 0.00 -0.01 -6.80 -1.46 9.65 -1.33 -3.49 114.38 110.94 2ftu h ARG 112 Ca 0.00 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.31 2ftu h ARG 112 Cb 0.23 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2ftu h ARG 112 CO 0.00 0.64 -1.00 0.00 2.80 0.00 0.00 179.97 182.41 2ftu n ALA 113 N -2.66 -2.61 -1.46 2.80 0.00 -0.73 -4.95 120.51 110.90 2ftu n ALA 113 Ca -0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 2ftu n ALA 113 Cb 0.31 -2.90 0.09 0.00 0.00 0.00 0.00 19.45 16.96 2ftu n ALA 113 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ftu s ARG 114 N -7.13 2.05 -1.16 0.00 1.70 -1.26 -4.95 118.95 108.20 2ftu s ARG 114 Ca 0.49 0.77 -0.21 0.00 -0.47 0.00 0.00 55.73 56.30 2ftu s ARG 114 Cb -0.25 -1.90 0.01 0.00 -0.57 0.00 0.00 34.95 32.23 2ftu s ARG 114 CO 0.95 -1.68 1.77 -1.01 -1.08 0.00 0.00 175.30 174.25 2ftu s HIS 115 N -3.07 2.37 0.00 5.89 3.76 -1.26 -4.74 115.29 118.24 2ftu s HIS 115 Ca 0.61 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 2ftu s HIS 115 Cb -0.15 -4.44 0.00 0.00 1.11 0.00 0.00 32.58 29.10 2ftu s HIS 115 CO 0.55 -1.65 0.00 -1.71 -0.85 0.00 0.00 174.74 171.08 2ftu n ASN 116 N 10.91 0.00 -4.27 1.40 5.15 -1.26 -5.15 115.26 122.04 2ftu n ASN 116 Ca 0.44 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 54.12 2ftu n ASN 116 Cb 0.47 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 39.94 2ftu n ASN 116 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2ftu s GLU 117 N -2.00 -0.57 0.00 1.20 8.01 -1.26 -4.90 118.70 119.18 2ftu s GLU 117 Ca 0.00 0.29 0.20 0.00 0.01 0.00 0.00 54.97 55.46 2ftu s GLU 117 Cb 0.00 -1.64 0.16 0.00 -4.31 0.00 0.00 34.13 28.34 2ftu s GLU 117 CO 0.00 -3.35 1.12 1.28 0.01 0.00 0.00 175.26 174.32