#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftu s VAL 2 N 0.00 1.97 -0.17 5.15 1.01 -1.26 -5.06 120.40 122.04 2ftu s VAL 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2ftu s VAL 2 Cb 0.00 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.97 2ftu s VAL 2 CO 0.00 0.00 -0.09 -0.55 0.00 0.00 0.00 175.10 174.46 2ftu s SER 3 N -3.39 2.90 -0.28 3.32 0.15 -1.26 -5.10 113.70 110.05 2ftu s SER 3 Ca 0.66 -0.65 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 2ftu s SER 3 Cb -0.19 -1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 63.04 2ftu s SER 3 CO 0.58 -0.14 1.68 -1.00 1.20 0.00 0.00 173.24 175.57 2ftu s HIS 4 N 1.54 1.99 0.09 3.44 3.76 -1.26 -4.96 115.29 119.89 2ftu s HIS 4 Ca 0.02 0.57 -0.26 0.00 -0.15 0.00 0.00 55.06 55.24 2ftu s HIS 4 Cb -0.15 -4.08 0.08 0.00 1.11 0.00 0.00 32.58 29.55 2ftu s HIS 4 CO -0.09 -2.91 0.82 -1.14 -0.85 0.00 0.00 174.74 170.57 2ftu s GLN 5 N 5.11 1.10 -0.01 1.40 0.74 -1.26 -5.07 119.66 121.66 2ftu s GLN 5 Ca 0.74 -0.48 -0.00 0.00 0.05 0.00 0.00 55.36 55.67 2ftu s GLN 5 Cb -0.23 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.34 2ftu s GLN 5 CO 0.32 -0.49 0.01 0.41 -0.55 0.00 0.00 175.29 174.99 2ftu n GLY 6 N -0.34 -1.19 0.44 2.59 0.00 -1.24 -4.52 105.19 100.92 2ftu n GLY 6 Ca -0.10 -0.11 0.25 0.00 0.00 0.00 0.00 46.02 46.06 2ftu n GLY 6 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ftu h TYR 7 N 0.05 0.12 -1.42 1.61 5.03 -1.98 -3.47 116.97 116.92 2ftu h TYR 7 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2ftu h TYR 7 Cb 0.02 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.26 2ftu h TYR 7 CO 0.00 0.03 0.00 0.43 -1.32 0.00 0.00 178.16 177.30 2ftu n SER 8 N -4.34 -4.27 -0.27 -2.11 7.64 -1.26 -2.94 113.62 106.06 2ftu n SER 8 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2ftu n SER 8 Cb 0.84 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2ftu n SER 8 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ftu n THR 9 N -0.93 0.00 -3.03 0.44 5.66 -1.26 -4.81 114.28 110.35 2ftu n THR 9 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 2ftu n THR 9 Cb 0.00 -0.26 0.02 0.00 -1.55 0.00 0.00 70.33 68.54 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 -0.13 -2.26 -1.61 1.09 1.02 -1.15 -5.01 120.64 112.59 2ftu n GLU 10 Ca 0.00 1.93 -0.30 0.00 -0.02 0.00 0.00 57.16 58.77 2ftu n GLU 10 Cb 0.09 -4.69 0.08 0.00 -0.02 0.00 0.00 31.44 26.89 2ftu n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ftu s ALA 11 N -2.30 2.41 0.00 0.62 0.00 -1.26 -5.01 121.76 116.22 2ftu s ALA 11 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2ftu s ALA 11 Cb -0.06 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2ftu s ALA 11 CO 0.80 -1.56 0.23 0.39 0.00 0.00 0.00 175.76 175.63 2ftu n GLU 12 N -3.32 -0.34 -1.80 0.00 1.02 -1.26 -4.81 120.64 110.13 2ftu n GLU 12 Ca 0.07 -0.23 0.03 0.00 -0.02 0.00 0.00 57.16 57.01 2ftu n GLU 12 Cb 0.56 -0.73 0.03 0.00 -0.02 0.00 0.00 31.44 31.28 2ftu n GLU 12 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ftu n PHE 13 N -0.02 0.27 -0.05 -0.32 3.72 -1.26 -4.64 117.46 115.16 2ftu n PHE 13 Ca 0.00 -0.87 -0.01 0.00 -0.05 0.00 0.00 57.45 56.52 2ftu n PHE 13 Cb 0.12 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2ftu n PHE 13 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2ftu h GLU 14 N 1.35 0.00 -0.29 -1.08 5.08 -2.02 -3.46 114.58 114.17 2ftu h GLU 14 Ca -0.22 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.92 2ftu h GLU 14 Cb 1.75 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.85 2ftu h GLU 14 CO 0.11 0.06 -0.52 -0.85 -1.00 0.00 0.00 179.01 176.81 2ftu n GLU 15 N -4.76 0.72 0.00 2.33 0.28 -1.26 -4.93 120.64 113.02 2ftu n GLU 15 Ca -0.01 -1.85 0.00 0.00 -0.16 0.00 0.00 57.16 55.14 2ftu n GLU 15 Cb 0.04 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2ftu n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2ftu n PRO 16 N 1.91 0.00 0.00 3.44 -0.04 -1.26 -4.91 135.00 134.14 2ftu n PRO 16 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2ftu n PRO 16 Cb 0.61 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 2ftu n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ftu n ARG 17 N -0.04 1.46 -0.12 0.54 1.74 -1.26 -4.80 116.66 114.18 2ftu n ARG 17 Ca 0.00 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 2ftu n ARG 17 Cb 0.00 -0.20 -0.01 0.00 -1.02 0.00 0.00 32.46 31.23 2ftu n ARG 17 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2ftu h VAL 18 N 0.11 1.19 -0.50 1.55 -1.51 -1.99 -0.68 116.25 114.42 2ftu h VAL 18 Ca 0.00 -0.60 -0.09 0.00 -1.23 0.00 0.00 66.70 64.78 2ftu h VAL 18 Cb 0.05 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 2ftu h VAL 18 CO 0.00 0.21 -0.03 0.40 -1.23 0.00 0.00 177.57 176.92 2ftu h ILE 19 N 0.44 1.25 -0.40 7.19 1.08 -1.91 -1.76 117.51 123.40 2ftu h ILE 19 Ca 0.12 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 2ftu h ILE 19 Cb 0.20 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 2ftu h ILE 19 CO -0.01 0.39 0.21 -0.78 -0.69 0.00 0.00 178.15 177.27 2ftu h ASP 20 N 0.79 0.51 -0.32 1.72 3.58 -1.82 0.13 116.42 121.02 2ftu h ASP 20 Ca 0.14 -0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.54 2ftu h ASP 20 Cb 0.52 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 2ftu h ASP 20 CO 0.03 0.48 0.04 -0.07 -2.88 0.00 0.00 179.24 176.84 2ftu h LEU 21 N 0.52 -0.03 -1.26 2.28 4.07 -0.79 -0.65 115.31 119.45 2ftu h LEU 21 Ca 0.14 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 2ftu h LEU 21 Cb 0.09 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2ftu h LEU 21 CO -0.02 0.02 -0.05 -0.50 -1.08 0.00 0.00 178.44 176.81 2ftu h TRP 22 N 0.15 0.00 0.57 1.13 6.55 -0.97 -1.11 115.95 122.26 2ftu h TRP 22 Ca 0.15 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.97 2ftu h TRP 22 Cb 0.18 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.47 2ftu h TRP 22 CO -0.19 0.05 -0.40 0.22 -1.05 0.00 0.00 178.44 177.06 2ftu h ASP 23 N 0.00 -1.03 1.71 -3.49 3.58 0.77 -2.99 116.42 114.97 2ftu h ASP 23 Ca -0.00 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2ftu h ASP 23 Cb 0.60 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 41.97 2ftu h ASP 23 CO 0.01 -0.60 -0.11 0.17 -2.88 0.00 0.00 179.24 175.83 2ftu h LEU 24 N -0.93 0.00 -2.10 2.28 8.10 -1.26 -3.11 115.31 118.29 2ftu h LEU 24 Ca -0.07 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.01 2ftu h LEU 24 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 2ftu h LEU 24 CO 0.03 0.11 0.30 0.00 -4.11 0.00 0.00 178.44 174.78 2ftu h ALA 25 N 1.89 2.01 -1.11 0.17 0.00 -1.04 -0.27 119.26 120.91 2ftu h ALA 25 Ca -0.00 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.22 2ftu h ALA 25 Cb 0.99 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2ftu h ALA 25 CO 0.01 -0.46 0.90 1.96 0.00 0.00 0.00 179.25 181.66 2ftu h GLN 26 N 0.00 0.00 -1.91 0.00 4.20 -1.54 -2.30 115.11 113.56 2ftu h GLN 26 Ca 0.14 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.42 2ftu h GLN 26 Cb 0.75 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.22 2ftu h GLN 26 CO -0.00 0.00 -0.80 -1.12 -0.67 0.00 0.00 178.83 176.24 2ftu s SER 27 N -4.77 0.54 -0.54 1.46 0.01 -0.12 -4.98 113.70 105.29 2ftu s SER 27 Ca -0.04 -2.48 0.07 0.00 1.31 0.00 0.00 55.95 54.81 2ftu s SER 27 Cb 0.21 0.39 0.27 0.00 0.21 0.00 0.00 66.02 67.10 2ftu s SER 27 CO 0.72 -0.15 0.72 0.00 0.41 0.00 0.00 173.24 174.94 2ftu n ALA 28 N 3.06 3.58 -1.95 1.44 0.00 -0.87 -4.91 120.51 120.86 2ftu n ALA 28 Ca 0.24 -4.29 -0.19 0.00 0.00 0.00 0.00 53.44 49.20 2ftu n ALA 28 Cb 0.50 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 0.74 -5.38 -4.72 0.00 5.15 -1.26 -4.97 115.26 104.82 2ftu n ASN 29 Ca 0.27 0.23 -0.39 0.00 -0.60 0.00 0.00 54.58 54.10 2ftu n ASN 29 Cb 0.46 -4.49 -0.05 0.00 -0.53 0.00 0.00 39.78 35.16 2ftu n ASN 29 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2ftu s LEU 30 N -4.88 4.29 0.64 1.20 1.43 -1.26 -4.83 118.68 115.27 2ftu s LEU 30 Ca 0.00 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.99 2ftu s LEU 30 Cb 0.00 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 2ftu s LEU 30 CO 0.00 -0.08 1.06 0.42 0.23 0.00 0.00 176.35 177.98 2ftu s THR 31 N 0.79 3.85 0.29 5.49 -4.23 -1.26 -4.79 115.64 115.77 2ftu s THR 31 Ca 0.33 0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 61.58 2ftu s THR 31 Cb -0.17 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.60 2ftu s THR 31 CO 0.15 -0.64 1.88 0.44 -0.54 0.00 0.00 174.62 175.91 2ftu h ASP 32 N -0.11 0.96 0.03 3.99 5.19 -1.98 0.19 116.42 124.70 2ftu h ASP 32 Ca -0.45 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2ftu h ASP 32 Cb 1.22 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2ftu h ASP 32 CO 0.57 0.59 -0.01 0.50 -3.12 0.00 0.00 179.24 177.76 2ftu h LYS 33 N 1.07 -0.04 -0.63 3.56 3.11 -1.93 0.16 116.57 121.87 2ftu h LYS 33 Ca 0.43 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.40 2ftu h LYS 33 Cb 0.27 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.39 2ftu h LYS 33 CO -0.18 0.59 -0.15 1.49 -2.81 0.00 0.00 179.45 178.39 2ftu h GLU 34 N -0.72 0.01 0.33 1.90 4.57 -1.59 -1.40 114.58 117.68 2ftu h GLU 34 Ca -0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2ftu h GLU 34 Cb 0.65 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2ftu h GLU 34 CO 0.01 0.00 -0.20 1.25 -1.18 0.00 0.00 179.01 178.89 2ftu h LEU 35 N 0.01 -0.49 -1.49 1.64 7.12 -0.50 -0.36 115.31 121.24 2ftu h LEU 35 Ca 0.30 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.37 2ftu h LEU 35 Cb 0.47 0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 2ftu h LEU 35 CO -0.64 -0.32 0.37 -0.08 -0.13 0.00 0.00 178.44 177.64 2ftu h GLU 36 N -0.51 0.66 0.25 1.25 4.81 -0.41 0.35 114.58 120.98 2ftu h GLU 36 Ca -0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2ftu h GLU 36 Cb 0.41 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2ftu h GLU 36 CO 0.04 0.44 -0.12 0.00 -0.73 0.00 0.00 179.01 178.64 2ftu h ALA 37 N 1.67 -0.33 -0.82 2.92 0.00 -0.99 -1.73 119.26 119.97 2ftu h ALA 37 Ca 0.22 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2ftu h ALA 37 Cb 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2ftu h ALA 37 CO -0.06 -0.57 0.54 0.35 0.00 0.00 0.00 179.25 179.51 2ftu h PHE 38 N -0.57 0.92 -0.17 0.00 3.04 -0.21 -1.88 116.94 118.07 2ftu h PHE 38 Ca -0.03 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2ftu h PHE 38 Cb 0.41 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 2ftu h PHE 38 CO 0.00 0.48 0.05 -0.09 -2.02 0.00 0.00 178.31 176.74 2ftu h ARG 39 N 0.91 0.26 -0.45 1.11 1.12 -0.14 0.19 114.38 117.37 2ftu h ARG 39 Ca 0.35 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 59.06 2ftu h ARG 39 Cb 0.22 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2ftu h ARG 39 CO -0.13 0.38 -0.12 1.05 -3.11 0.00 0.00 179.97 178.04 2ftu h GLU 40 N 0.09 0.88 -0.57 0.20 4.11 -0.92 0.53 114.58 118.89 2ftu h GLU 40 Ca 0.05 -0.34 -0.08 0.00 0.07 0.00 0.00 59.36 59.06 2ftu h GLU 40 Cb 0.22 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2ftu h GLU 40 CO -0.00 0.98 0.03 1.49 0.07 0.00 0.00 179.01 181.58 2ftu h GLU 41 N 0.71 0.96 -0.46 1.06 4.57 -1.20 -1.16 114.58 119.07 2ftu h GLU 41 Ca 0.11 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2ftu h GLU 41 Cb 0.67 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2ftu h GLU 41 CO 0.05 0.93 0.27 -0.07 -1.18 0.00 0.00 179.01 179.01 2ftu h LEU 42 N 0.89 0.55 -0.36 1.64 -0.00 -0.39 0.24 115.31 117.87 2ftu h LEU 42 Ca 0.17 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.98 2ftu h LEU 42 Cb 0.48 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2ftu h LEU 42 CO 0.02 0.43 0.06 0.50 -0.00 0.00 0.00 178.44 179.44 2ftu h LYS 43 N 0.63 0.60 -0.65 1.13 3.11 -0.04 0.26 116.57 121.62 2ftu h LYS 43 Ca 0.17 -0.16 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2ftu h LYS 43 Cb -0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.10 2ftu h LYS 43 CO -0.03 0.67 0.40 0.45 -2.81 0.00 0.00 179.45 178.13 2ftu h HIS 44 N 0.44 0.75 0.46 1.91 3.86 -0.35 -1.59 115.15 120.63 2ftu h HIS 44 Ca 0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2ftu h HIS 44 Cb 0.37 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2ftu h HIS 44 CO 0.03 0.43 -0.22 0.35 0.86 0.00 0.00 177.93 179.37 2ftu h PHE 45 N 0.78 -0.57 -0.83 2.45 3.04 -0.24 -0.82 116.94 120.75 2ftu h PHE 45 Ca 0.26 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.26 2ftu h PHE 45 Cb 0.02 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 2ftu h PHE 45 CO -0.05 -0.25 0.51 1.05 -2.02 0.00 0.00 178.31 177.55 2ftu h GLU 46 N -0.92 0.91 -0.21 1.11 -0.00 -0.51 0.13 114.58 115.09 2ftu h GLU 46 Ca -0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.24 2ftu h GLU 46 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.12 2ftu h GLU 46 CO 0.10 0.60 0.11 0.00 -0.00 0.00 0.00 179.01 179.82 2ftu h ALA 47 N 1.40 0.27 -0.14 1.06 0.00 -1.28 0.19 119.26 120.76 2ftu h ALA 47 Ca 0.36 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2ftu h ALA 47 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2ftu h ALA 47 CO -0.17 -0.17 -0.13 0.87 0.00 0.00 0.00 179.25 179.65 2ftu h LYS 48 N 0.22 -0.14 0.00 0.00 1.57 -0.24 -1.34 116.57 116.64 2ftu h LYS 48 Ca 0.07 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2ftu h LYS 48 Cb 0.11 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2ftu h LYS 48 CO -0.01 -0.09 -0.37 0.97 -0.57 0.00 0.00 179.45 179.38 2ftu h ILE 49 N -0.15 0.97 -0.53 1.86 6.09 -0.79 -1.11 117.51 123.87 2ftu h ILE 49 Ca 0.09 -1.41 -0.00 0.00 -1.37 0.00 0.00 64.86 62.17 2ftu h ILE 49 Cb 0.28 1.83 -0.03 0.00 0.47 0.00 0.00 36.82 39.38 2ftu h ILE 49 CO -0.23 0.36 0.32 1.05 -3.07 0.00 0.00 178.15 176.58 2ftu h GLU 50 N 0.00 0.71 0.00 2.19 4.11 0.07 -1.03 114.58 120.63 2ftu h GLU 50 Ca -0.00 -0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 2ftu h GLU 50 Cb 0.80 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2ftu h GLU 50 CO 0.05 0.52 -1.03 1.57 0.07 0.00 0.00 179.01 180.19 2ftu h LYS 51 N 0.70 0.00 0.02 1.06 2.10 -0.99 0.16 116.57 119.62 2ftu h LYS 51 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2ftu h LYS 51 Cb -0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 2ftu h LYS 51 CO -0.04 0.22 -0.15 1.25 -2.00 0.00 0.00 179.45 178.73 2ftu h HIS 52 N 0.00 -0.44 -0.75 0.07 2.76 -1.17 -0.68 115.15 114.95 2ftu h HIS 52 Ca -0.08 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.27 2ftu h HIS 52 Cb 1.34 0.19 -0.13 0.00 1.55 0.00 0.00 27.41 30.36 2ftu h HIS 52 CO 0.00 -0.17 -0.06 -0.97 -1.30 0.00 0.00 177.93 175.43 2ftu h ASN 53 N -0.21 -0.46 -0.01 3.26 -1.24 -1.08 0.25 115.58 116.09 2ftu h ASN 53 Ca -0.00 0.20 0.02 0.00 0.71 0.00 0.00 56.30 57.23 2ftu h ASN 53 Cb 0.21 0.38 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 2ftu h ASN 53 CO -0.09 -0.20 -0.09 -0.74 -1.29 0.00 0.00 177.43 175.01 2ftu h HIS 54 N 0.06 -0.24 -0.75 0.67 2.76 -0.65 0.34 115.15 117.33 2ftu h HIS 54 Ca 0.39 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.53 2ftu h HIS 54 Cb 0.67 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 2ftu h HIS 54 CO -0.48 -0.15 0.30 1.88 -1.30 0.00 0.00 177.93 178.19 2ftu h TYR 55 N -0.16 1.14 -0.72 5.26 -1.99 0.03 -1.75 116.97 118.77 2ftu h TYR 55 Ca 0.04 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 2ftu h TYR 55 Cb 0.21 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.56 2ftu h TYR 55 CO -0.16 0.87 0.36 1.96 -0.00 0.00 0.00 178.16 181.19 2ftu h GLN 56 N 1.08 1.04 0.13 4.88 1.08 -0.01 0.57 115.11 123.87 2ftu h GLN 56 Ca 0.25 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2ftu h GLN 56 Cb 0.21 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2ftu h GLN 56 CO -0.02 0.80 -0.06 0.87 -0.95 0.00 0.00 178.83 179.47 2ftu h LYS 57 N 1.01 -0.16 0.00 1.46 1.57 -0.77 0.07 116.57 119.74 2ftu h LYS 57 Ca 0.25 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2ftu h LYS 57 Cb 0.10 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2ftu h LYS 57 CO -0.03 0.10 -0.07 1.96 -0.57 0.00 0.00 179.45 180.83 2ftu h GLN 58 N -0.42 0.00 0.25 3.15 1.08 -0.97 -0.85 115.11 117.35 2ftu h GLN 58 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2ftu h GLN 58 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2ftu h GLN 58 CO 0.03 0.07 -0.12 1.25 -0.95 0.00 0.00 178.83 179.11 2ftu h LEU 59 N 0.00 -0.28 -0.61 1.46 5.85 0.46 0.57 115.31 122.76 2ftu h LEU 59 Ca -0.00 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.54 2ftu h LEU 59 Cb 0.20 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2ftu h LEU 59 CO 0.01 0.15 0.31 -0.08 -0.34 0.00 0.00 178.44 178.48 2ftu h GLU 60 N -0.77 0.55 0.87 1.25 4.57 -0.48 0.48 114.58 121.05 2ftu h GLU 60 Ca -0.03 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2ftu h GLU 60 Cb 0.50 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2ftu h GLU 60 CO 0.06 0.36 -0.42 0.82 -1.18 0.00 0.00 179.01 178.65 2ftu h ILE 61 N 0.56 0.05 -0.23 2.32 2.04 -1.22 -1.90 117.51 119.14 2ftu h ILE 61 Ca 0.28 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 2ftu h ILE 61 Cb 0.23 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2ftu h ILE 61 CO -0.21 0.00 0.01 0.00 0.00 0.00 0.00 178.15 177.95 2ftu h ALA 62 N -1.22 1.59 0.30 1.87 0.00 -0.62 -0.04 119.26 121.14 2ftu h ALA 62 Ca -0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2ftu h ALA 62 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ftu h ALA 62 CO 0.20 0.31 -0.15 1.25 0.00 0.00 0.00 179.25 180.86 2ftu h HIS 63 N 0.33 -0.38 -0.16 0.00 -0.00 0.02 0.19 115.15 115.14 2ftu h HIS 63 Ca 0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2ftu h HIS 63 Cb 0.22 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 2ftu h HIS 63 CO 0.00 -0.24 0.04 1.49 -0.00 0.00 0.00 177.93 179.23 2ftu h GLU 64 N -0.41 0.26 -0.28 5.26 4.81 -0.88 0.15 114.58 123.49 2ftu h GLU 64 Ca -0.04 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2ftu h GLU 64 Cb 0.31 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 2ftu h GLU 64 CO 0.07 0.40 -0.21 0.87 -0.73 0.00 0.00 179.01 179.41 2ftu h LYS 65 N 0.08 -0.18 0.00 1.92 1.79 -0.88 -1.36 116.57 117.94 2ftu h LYS 65 Ca 0.05 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 2ftu h LYS 65 Cb 0.25 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2ftu h LYS 65 CO -0.00 -0.12 -0.59 1.37 -1.08 0.00 0.00 179.45 179.03 2ftu h LEU 66 N -0.19 0.00 -1.14 2.94 -0.00 -0.58 0.83 115.31 117.17 2ftu h LEU 66 Ca 0.15 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.16 2ftu h LEU 66 Cb 0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.00 2ftu h LEU 66 CO -0.40 0.59 0.60 0.03 -0.00 0.00 0.00 178.44 179.26 2ftu h ARG 67 N 0.00 0.83 0.00 0.17 3.08 -0.19 0.23 114.38 118.51 2ftu h ARG 67 Ca -0.01 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 2ftu h ARG 67 Cb 1.42 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 2ftu h ARG 67 CO 0.08 0.55 -1.25 1.25 -1.07 0.00 0.00 179.97 179.53 2ftu h HIS 68 N 0.86 0.00 0.00 3.04 2.76 -0.87 -3.33 115.15 117.61 2ftu h HIS 68 Ca 0.47 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.64 2ftu h HIS 68 Cb 0.58 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 2ftu h HIS 68 CO -0.00 0.94 -0.01 0.00 -1.30 0.00 0.00 177.93 177.56 2ftu h ALA 69 N 1.06 0.99 0.00 5.26 0.00 -0.12 -2.25 119.26 124.20 2ftu h ALA 69 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ftu h ALA 69 Cb 1.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2ftu h ALA 69 CO 0.10 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.76 2ftu n GLU 70 N -3.10 0.22 0.00 0.00 -0.58 0.76 -1.49 120.64 116.45 2ftu n GLU 70 Ca 0.04 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2ftu n GLU 70 Cb 0.53 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 2ftu n GLU 70 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2ftu n SER 71 N -1.04 1.48 -0.05 1.62 2.88 -0.85 -4.76 113.62 112.90 2ftu n SER 71 Ca 0.05 -1.51 0.01 0.00 -1.33 0.00 0.00 58.87 56.10 2ftu n SER 71 Cb 0.03 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.33 2ftu n SER 71 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2ftu n VAL 72 N -0.25 0.64 -0.32 2.46 0.24 -0.56 -5.02 118.33 115.52 2ftu n VAL 72 Ca 0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2ftu n VAL 72 Cb 0.14 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 2ftu n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ftu n GLY 73 N 1.55 0.68 3.57 7.63 0.00 -1.24 -5.01 105.19 112.37 2ftu n GLY 73 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2ftu n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ftu s ASP 74 N -2.99 4.76 0.21 1.61 1.01 -1.26 -4.81 116.67 115.21 2ftu s ASP 74 Ca 0.00 -0.86 -0.01 0.00 0.71 0.00 0.00 52.55 52.39 2ftu s ASP 74 Cb 0.00 -2.57 0.18 0.00 1.01 0.00 0.00 42.92 41.54 2ftu s ASP 74 CO 0.00 -3.20 1.55 1.23 0.21 0.00 0.00 175.17 174.96 2ftu h GLY 75 N 18.98 0.53 1.78 0.21 0.00 -1.95 -2.32 103.07 120.31 2ftu h GLY 75 Ca 0.11 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 2ftu h GLY 75 CO 1.16 0.53 -0.27 1.05 0.00 0.00 0.00 176.54 179.01 2ftu h GLU 76 N 0.38 0.26 -0.57 4.80 -0.00 -2.00 -2.17 114.58 115.28 2ftu h GLU 76 Ca 0.01 -0.09 -0.08 0.00 -0.00 0.00 0.00 59.36 59.21 2ftu h GLU 76 Cb 1.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.73 2ftu h GLU 76 CO 0.09 0.51 0.04 -0.09 -0.00 0.00 0.00 179.01 179.57 2ftu h ARG 77 N 0.23 0.96 0.09 1.06 2.43 -1.89 -1.06 114.38 116.20 2ftu h ARG 77 Ca 0.04 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2ftu h ARG 77 Cb 0.61 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2ftu h ARG 77 CO 0.04 0.92 -0.17 0.28 -1.51 0.00 0.00 179.97 179.53 2ftu h VAL 78 N 0.89 0.60 0.33 0.20 2.07 -0.85 0.18 116.25 119.67 2ftu h VAL 78 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2ftu h VAL 78 Cb 0.47 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2ftu h VAL 78 CO 0.02 0.00 -0.43 0.28 0.02 0.00 0.00 177.57 177.46 2ftu h SER 79 N -0.33 -1.21 -0.67 0.57 0.02 -1.29 0.11 113.55 110.75 2ftu h SER 79 Ca 0.03 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2ftu h SER 79 Cb 0.35 0.41 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 2ftu h SER 79 CO -0.10 -0.53 0.40 -0.09 -1.14 0.00 0.00 176.83 175.37 2ftu h ARG 80 N -0.78 0.91 -0.49 3.45 2.43 -1.06 -0.04 114.38 118.79 2ftu h ARG 80 Ca -0.04 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2ftu h ARG 80 Cb 0.70 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2ftu h ARG 80 CO -0.10 0.65 0.30 0.77 -1.51 0.00 0.00 179.97 180.08 2ftu h SER 81 N 0.91 0.58 -0.38 -3.80 0.02 -0.55 -1.81 113.55 108.51 2ftu h SER 81 Ca 0.24 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 2ftu h SER 81 Cb -0.02 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2ftu h SER 81 CO -0.04 0.46 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.98 2ftu h ARG 82 N 0.66 0.79 0.20 3.45 2.43 -0.25 0.70 114.38 122.36 2ftu h ARG 82 Ca 0.18 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2ftu h ARG 82 Cb -0.03 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2ftu h ARG 82 CO -0.03 0.82 -0.20 0.93 -1.51 0.00 0.00 179.97 179.97 2ftu h GLU 83 N 0.73 -0.42 0.00 0.20 5.08 -0.64 -0.01 114.58 119.52 2ftu h GLU 83 Ca 0.14 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2ftu h GLU 83 Cb 0.49 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2ftu h GLU 83 CO 0.03 -0.28 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.25 2ftu h LYS 84 N -0.44 0.00 0.52 2.33 1.63 -1.20 -1.15 116.57 118.26 2ftu h LYS 84 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2ftu h LYS 84 Cb 0.41 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2ftu h LYS 84 CO -0.05 0.29 -0.25 1.25 -3.45 0.00 0.00 179.45 177.24 2ftu h HIS 85 N 0.00 -0.65 -0.79 1.91 2.76 -0.31 -0.16 115.15 117.91 2ftu h HIS 85 Ca -0.00 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 2ftu h HIS 85 Cb 0.98 0.22 -0.04 0.00 1.55 0.00 0.00 27.41 30.12 2ftu h HIS 85 CO 0.00 -0.33 0.32 0.00 -1.30 0.00 0.00 177.93 176.61 2ftu h ALA 86 N -0.57 1.06 -0.05 5.26 0.00 -0.97 -0.65 119.26 123.34 2ftu h ALA 86 Ca -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2ftu h ALA 86 Cb 0.61 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2ftu h ALA 86 CO 0.12 0.66 0.01 1.25 0.00 0.00 0.00 179.25 181.29 2ftu h LEU 87 N 1.15 -0.00 -0.31 0.00 5.85 -1.23 0.19 115.31 120.95 2ftu h LEU 87 Ca 0.26 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.05 2ftu h LEU 87 Cb 0.22 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2ftu h LEU 87 CO -0.02 0.01 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.98 2ftu h LEU 88 N 0.03 -0.20 -0.55 2.25 4.07 -0.49 -0.55 115.31 119.86 2ftu h LEU 88 Ca 0.02 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.07 2ftu h LEU 88 Cb 0.02 0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2ftu h LEU 88 CO -0.03 -0.06 0.36 -0.08 -1.08 0.00 0.00 178.44 177.55 2ftu h GLU 89 N 0.05 0.72 -0.97 1.13 4.22 -0.91 -0.47 114.58 118.34 2ftu h GLU 89 Ca 0.15 -0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.63 2ftu h GLU 89 Cb 0.22 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2ftu h GLU 89 CO -0.29 0.47 0.63 0.78 -2.18 0.00 0.00 179.01 178.43 2ftu h GLY 90 N 0.74 1.48 1.54 1.92 0.00 -0.07 -0.74 103.07 107.94 2ftu h GLY 90 Ca 0.20 -0.45 -0.20 0.00 0.00 0.00 0.00 47.33 46.89 2ftu h GLY 90 CO -0.05 0.29 -0.80 -0.09 0.00 0.00 0.00 176.54 175.90 2ftu h ARG 91 N 1.09 0.44 -0.54 4.80 1.12 -0.45 -1.87 114.38 118.97 2ftu h ARG 91 Ca 0.43 -0.39 -0.11 0.00 -1.11 0.00 0.00 59.98 58.80 2ftu h ARG 91 Cb 0.25 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 2ftu h ARG 91 CO -0.18 1.04 -0.10 1.79 -3.11 0.00 0.00 179.97 179.40 2ftu h THR 92 N 0.29 1.27 0.89 0.20 1.35 0.04 0.89 112.91 117.84 2ftu h THR 92 Ca -0.05 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.51 2ftu h THR 92 Cb 1.39 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2ftu h THR 92 CO 0.14 0.45 -0.49 0.11 -0.25 0.00 0.00 175.52 175.47 2ftu h LYS 93 N 0.90 -1.23 -0.97 4.72 1.57 -1.26 -1.65 116.57 118.65 2ftu h LYS 93 Ca 0.14 0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 2ftu h LYS 93 Cb 0.67 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2ftu h LYS 93 CO 0.05 -0.82 0.63 1.05 -0.57 0.00 0.00 179.45 179.78 2ftu h GLU 94 N -1.28 1.09 -0.22 3.15 4.11 -1.25 -1.61 114.58 118.58 2ftu h GLU 94 Ca -0.12 -0.07 -0.16 0.00 0.07 0.00 0.00 59.36 59.09 2ftu h GLU 94 Cb 1.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ftu h GLU 94 CO 0.16 0.72 -0.47 1.25 0.07 0.00 0.00 179.01 180.74 2ftu h LEU 95 N 1.13 0.80 -0.94 3.06 7.12 -0.80 -0.07 115.31 125.61 2ftu h LEU 95 Ca 0.41 -0.55 0.10 0.00 0.13 0.00 0.00 57.88 57.97 2ftu h LEU 95 Cb 0.17 -0.23 -0.08 0.00 -0.53 0.00 0.00 40.66 39.99 2ftu h LEU 95 CO -0.16 1.20 0.58 1.23 -0.13 0.00 0.00 178.44 181.16 2ftu h GLY 96 N 0.42 1.49 0.91 3.75 0.00 -0.89 0.27 103.07 109.03 2ftu h GLY 96 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2ftu h GLY 96 CO 0.10 0.18 0.08 -1.82 0.00 0.00 0.00 176.54 175.09 2ftu h TYR 97 N 0.96 0.26 -0.55 5.60 5.03 -0.91 -0.04 116.97 127.32 2ftu h TYR 97 Ca 0.45 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.69 2ftu h TYR 97 Cb 0.38 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 2ftu h TYR 97 CO -0.02 0.29 0.14 1.15 -1.32 0.00 0.00 178.16 178.40 2ftu h THR 98 N 0.16 1.24 0.11 1.81 2.02 0.17 -0.80 112.91 117.62 2ftu h THR 98 Ca 0.06 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.40 2ftu h THR 98 Cb 0.13 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2ftu h THR 98 CO -0.01 0.32 -0.23 0.58 0.37 0.00 0.00 175.52 176.55 2ftu h VAL 99 N 0.78 0.49 -0.95 3.16 2.07 -0.46 -0.85 116.25 120.49 2ftu h VAL 99 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 2ftu h VAL 99 Cb 0.33 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2ftu h VAL 99 CO -0.00 0.00 0.63 0.50 0.02 0.00 0.00 177.57 178.72 2ftu h LYS 100 N -0.42 1.21 0.85 1.57 3.11 -0.51 0.29 116.57 122.68 2ftu h LYS 100 Ca 0.03 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.76 2ftu h LYS 100 Cb 0.44 -0.27 0.01 0.00 -1.00 0.00 0.00 32.23 31.41 2ftu h LYS 100 CO -0.13 0.80 -0.43 0.87 -2.81 0.00 0.00 179.45 177.74 2ftu h LYS 101 N 1.24 -1.13 -0.85 1.90 1.79 -0.93 -1.96 116.57 116.64 2ftu h LYS 101 Ca 0.36 0.08 0.07 0.00 -2.18 0.00 0.00 60.65 58.98 2ftu h LYS 101 Cb -0.08 0.26 -0.07 0.00 -1.58 0.00 0.00 32.23 30.76 2ftu h LYS 101 CO -0.09 -0.75 0.51 0.45 -1.08 0.00 0.00 179.45 178.49 2ftu h HIS 102 N -1.17 0.94 -0.27 -1.35 3.86 -0.79 -0.34 115.15 116.03 2ftu h HIS 102 Ca -0.12 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2ftu h HIS 102 Cb 0.91 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 2ftu h HIS 102 CO 0.00 0.45 -0.23 -0.07 0.86 0.00 0.00 177.93 178.94 2ftu h LEU 103 N 0.91 -0.82 -1.82 2.43 4.07 -0.37 0.16 115.31 119.87 2ftu h LEU 103 Ca 0.38 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.43 2ftu h LEU 103 Cb 0.24 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 2ftu h LEU 103 CO -0.20 -0.13 -0.14 -0.61 -1.08 0.00 0.00 178.44 176.28 2ftu h GLN 104 N -0.09 0.00 0.38 1.13 4.15 -0.61 -0.43 115.11 119.64 2ftu h GLN 104 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2ftu h GLN 104 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2ftu h GLN 104 CO -0.30 0.14 -0.18 -0.44 -1.93 0.00 0.00 178.83 176.12 2ftu h ASP 105 N 0.00 -0.43 -0.08 -0.69 3.32 0.66 -1.21 116.42 117.99 2ftu h ASP 105 Ca -0.00 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 2ftu h ASP 105 Cb 0.37 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2ftu h ASP 105 CO 0.02 0.01 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.08 2ftu h LEU 106 N -1.03 0.64 -0.51 1.55 3.38 -0.70 -0.60 115.31 118.04 2ftu h LEU 106 Ca -0.05 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.72 2ftu h LEU 106 Cb 0.51 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2ftu h LEU 106 CO 0.08 0.97 0.11 -1.28 0.09 0.00 0.00 178.44 178.41 2ftu h SER 107 N 0.50 0.01 -0.21 -0.43 0.87 -1.17 -0.68 113.55 112.44 2ftu h SER 107 Ca 0.04 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2ftu h SER 107 Cb 0.91 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 2ftu h SER 107 CO 0.08 0.03 0.07 1.23 -0.53 0.00 0.00 176.83 177.71 2ftu h GLY 108 N 0.25 0.26 0.13 5.77 0.00 0.12 -1.12 103.07 108.46 2ftu h GLY 108 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2ftu h GLY 108 CO -0.33 0.03 -0.24 3.21 0.00 0.00 0.00 176.54 179.21 2ftu h ARG 109 N 0.17 -0.38 0.00 4.80 2.47 -0.73 -3.21 114.38 117.50 2ftu h ARG 109 Ca 0.09 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2ftu h ARG 109 Cb 0.06 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2ftu h ARG 109 CO -0.10 -0.25 -0.29 0.82 0.56 0.00 0.00 179.97 180.71 2ftu h ILE 110 N -0.40 0.88 -0.37 2.04 2.04 -1.08 0.08 117.51 120.70 2ftu h ILE 110 Ca -0.01 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 64.82 2ftu h ILE 110 Cb 0.37 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2ftu h ILE 110 CO -0.09 0.28 0.34 0.28 0.00 0.00 0.00 178.15 178.96 2ftu h SER 111 N 0.00 0.00 0.00 1.72 0.02 -1.20 -2.50 113.55 111.59 2ftu h SER 111 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2ftu h SER 111 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2ftu h SER 111 CO 0.04 0.00 -0.61 -1.14 -1.14 0.00 0.00 176.83 173.98 2ftu n ARG 112 N -3.98 0.47 -3.57 3.45 3.00 -0.09 -5.06 116.66 110.87 2ftu n ARG 112 Ca 0.06 0.49 -0.25 0.00 -0.00 0.00 0.00 57.85 58.15 2ftu n ARG 112 Cb 0.51 -1.67 0.01 0.00 0.00 0.00 0.00 32.46 31.32 2ftu n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ftu n ALA 113 N -3.73 -2.64 -1.73 5.13 0.00 -0.57 -4.99 120.51 111.98 2ftu n ALA 113 Ca -0.09 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 2ftu n ALA 113 Cb 0.31 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 2ftu n ALA 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ftu s ARG 114 N -3.85 3.52 -0.82 0.00 0.52 -1.26 -4.95 118.95 112.10 2ftu s ARG 114 Ca 0.13 1.35 -0.25 0.00 -0.52 0.00 0.00 55.73 56.43 2ftu s ARG 114 Cb -0.02 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.31 2ftu s ARG 114 CO 0.87 -0.67 2.18 -1.01 0.02 0.00 0.00 175.30 176.70 2ftu s HIS 115 N -2.13 1.45 0.33 -0.53 3.76 -1.26 -4.03 115.29 112.88 2ftu s HIS 115 Ca 0.67 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.91 2ftu s HIS 115 Cb -0.18 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.78 2ftu s HIS 115 CO 0.28 -1.72 0.00 -1.71 -0.85 0.00 0.00 174.74 170.74 2ftu n ASN 116 N 16.28 -2.99 0.00 1.40 5.15 -1.26 -4.91 115.26 128.93 2ftu n ASN 116 Ca 0.42 0.79 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 2ftu n ASN 116 Cb 0.46 2.92 0.00 0.00 -0.53 0.00 0.00 39.78 42.62 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 -3.31 0.00 -0.35 1.20 2.13 -1.26 -3.88 120.64 115.16 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