#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 0.00 -3.83 8.89 0.31 -1.26 -5.07 118.33 117.37 2ftu n VAL 2 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2ftu n VAL 2 Cb 0.00 -0.02 0.02 0.00 -0.91 0.00 0.00 33.84 32.93 2ftu n VAL 2 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2ftu s SER 3 N 0.32 0.10 0.00 4.52 1.04 -1.26 -5.04 113.70 113.37 2ftu s SER 3 Ca 0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.22 2ftu s SER 3 Cb 0.00 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.97 2ftu s SER 3 CO 0.00 -1.69 0.00 1.41 0.98 0.00 0.00 173.24 173.94 2ftu n HIS 4 N -0.54 0.00 -1.34 5.02 8.25 -1.26 -5.06 115.22 120.29 2ftu n HIS 4 Ca -0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.08 2ftu n HIS 4 Cb 0.60 0.03 0.11 0.00 1.12 0.00 0.00 29.99 31.85 2ftu n HIS 4 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ftu s GLN 5 N -0.47 1.73 -1.16 -0.41 1.11 -1.26 -4.57 119.66 114.62 2ftu s GLN 5 Ca 0.00 0.82 -0.02 0.00 0.01 0.00 0.00 55.36 56.17 2ftu s GLN 5 Cb 0.00 -1.86 -0.02 0.00 -1.01 0.00 0.00 33.01 30.12 2ftu s GLN 5 CO 0.00 -1.91 0.95 0.41 0.01 0.00 0.00 175.29 174.74 2ftu n GLY 6 N -1.48 -0.61 3.72 3.09 0.00 -1.26 -4.90 105.19 103.75 2ftu n GLY 6 Ca 0.07 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 2ftu n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ftu s TYR 7 N -3.40 0.72 0.91 1.61 2.02 -1.26 -4.35 117.35 113.60 2ftu s TYR 7 Ca 0.15 0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 57.10 2ftu s TYR 7 Cb -0.02 -3.75 0.14 0.00 -0.40 0.00 0.00 41.96 37.93 2ftu s TYR 7 CO 0.74 -3.52 1.10 -1.12 -1.57 0.00 0.00 175.55 171.18 2ftu s SER 8 N -4.33 3.41 0.26 2.29 0.01 -1.26 -4.95 113.70 109.13 2ftu s SER 8 Ca 0.73 1.28 0.23 0.00 1.31 0.00 0.00 55.95 59.49 2ftu s SER 8 Cb -0.06 -1.95 0.99 0.00 0.21 0.00 0.00 66.02 65.21 2ftu s SER 8 CO 0.55 -2.65 1.68 1.07 0.41 0.00 0.00 173.24 174.30 2ftu n THR 9 N -3.87 0.89 -2.72 1.44 5.66 -1.26 -4.16 114.28 110.26 2ftu n THR 9 Ca 0.06 0.34 -0.08 0.00 -3.05 0.00 0.00 64.05 61.32 2ftu n THR 9 Cb 0.57 -1.28 0.09 0.00 -1.55 0.00 0.00 70.33 68.16 2ftu n THR 9 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2ftu n GLU 10 N -2.21 0.83 -3.27 1.09 0.28 -1.26 -5.08 120.64 111.02 2ftu n GLU 10 Ca 0.01 -1.68 -0.15 0.00 -0.16 0.00 0.00 57.16 55.19 2ftu n GLU 10 Cb 0.19 -0.91 -0.06 0.00 1.43 0.00 0.00 31.44 32.08 2ftu n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ftu s ALA 11 N 0.27 -0.55 -1.96 -1.84 0.00 -1.26 -4.93 121.76 111.50 2ftu s ALA 11 Ca 0.23 -1.04 0.30 0.00 0.00 0.00 0.00 51.96 51.45 2ftu s ALA 11 Cb 0.28 -2.14 1.77 0.00 0.00 0.00 0.00 23.12 23.04 2ftu s ALA 11 CO -0.10 -2.14 2.12 0.39 0.00 0.00 0.00 175.76 176.03 2ftu n GLU 12 N 3.85 0.90 -1.26 0.00 1.02 -1.26 -4.62 120.64 119.28 2ftu n GLU 12 Ca 0.15 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.93 2ftu n GLU 12 Cb 0.48 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.02 2.22 -1.88 -0.32 3.72 -1.26 -3.90 117.46 115.02 2ftu n PHE 13 Ca 0.22 -2.94 -0.05 0.00 -0.05 0.00 0.00 57.45 54.63 2ftu n PHE 13 Cb 0.11 -2.40 -0.05 0.00 -0.94 0.00 0.00 39.48 36.20 2ftu n PHE 13 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2ftu n GLU 14 N 3.54 0.00 -4.47 -1.08 2.13 -1.26 -4.88 120.64 114.62 2ftu n GLU 14 Ca 0.75 -0.72 -0.31 0.00 0.66 0.00 0.00 57.16 57.55 2ftu n GLU 14 Cb 0.27 0.46 -0.11 0.00 0.27 0.00 0.00 31.44 32.33 2ftu n GLU 14 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ftu s GLU 15 N 0.00 2.18 -1.18 5.31 2.02 -1.25 -4.85 118.70 120.94 2ftu s GLU 15 Ca 0.00 -0.94 -0.20 0.00 0.02 0.00 0.00 54.97 53.84 2ftu s GLU 15 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 2ftu s GLU 15 CO 0.00 0.54 1.91 -0.35 0.02 0.00 0.00 175.26 177.38 2ftu n PRO 16 N 1.28 2.19 0.00 0.39 -0.04 -1.26 -2.47 135.00 135.09 2ftu n PRO 16 Ca -0.15 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 2ftu n PRO 16 Cb 0.52 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 2ftu n PRO 16 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ftu n ARG 17 N 7.86 0.00 0.09 0.54 0.63 -1.26 -4.81 116.66 119.71 2ftu n ARG 17 Ca 0.48 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.28 2ftu n ARG 17 Cb 0.44 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.29 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 0.72 0.00 5.15 3.04 -1.99 0.13 116.25 123.30 2ftu h VAL 18 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 2ftu h VAL 18 Cb 0.00 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 29.99 2ftu h VAL 18 CO 0.00 0.00 -0.26 -0.29 -1.01 0.00 0.00 177.57 176.01 2ftu h ILE 19 N -0.25 0.98 0.03 3.17 6.09 -1.84 -1.64 117.51 124.04 2ftu h ILE 19 Ca 0.01 -0.97 -0.23 0.00 -1.37 0.00 0.00 64.86 62.30 2ftu h ILE 19 Cb 0.26 1.56 0.02 0.00 0.47 0.00 0.00 36.82 39.13 2ftu h ILE 19 CO -0.05 0.26 -0.91 -0.78 -3.07 0.00 0.00 178.15 173.59 2ftu h ASP 20 N 0.00 0.74 -0.49 2.19 3.58 -1.64 -1.40 116.42 119.40 2ftu h ASP 20 Ca -0.00 -0.78 0.07 0.00 0.42 0.00 0.00 57.03 56.73 2ftu h ASP 20 Cb 0.54 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 2ftu h ASP 20 CO 0.03 1.43 0.18 -0.07 -2.88 0.00 0.00 179.24 177.94 2ftu h LEU 21 N 0.14 0.19 -1.07 2.28 3.38 -0.52 -0.90 115.31 118.82 2ftu h LEU 21 Ca -0.12 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2ftu h LEU 21 Cb 1.60 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 2ftu h LEU 21 CO 0.18 0.14 0.30 -0.50 0.09 0.00 0.00 178.44 178.65 2ftu h TRP 22 N 0.36 0.96 0.04 1.13 6.55 -1.23 0.80 115.95 124.56 2ftu h TRP 22 Ca 0.24 -0.04 0.03 0.00 0.95 0.00 0.00 58.89 60.06 2ftu h TRP 22 Cb 0.24 -0.30 -0.04 0.00 -0.86 0.00 0.00 29.16 28.20 2ftu h TRP 22 CO -0.16 0.72 -0.25 0.22 -1.05 0.00 0.00 178.44 177.92 2ftu h ASP 23 N 0.95 -0.74 1.39 -3.49 1.82 -0.04 -2.24 116.42 114.08 2ftu h ASP 23 Ca 0.23 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 2ftu h ASP 23 Cb 0.13 0.30 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2ftu h ASP 23 CO -0.03 -0.33 0.00 -0.07 -1.61 0.00 0.00 179.24 177.21 2ftu h LEU 24 N -0.41 0.00 -1.99 2.28 4.07 -1.19 -3.31 115.31 114.76 2ftu h LEU 24 Ca 0.05 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.22 2ftu h LEU 24 Cb 0.48 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 2ftu h LEU 24 CO -0.20 0.00 0.53 0.00 -1.08 0.00 0.00 178.44 177.69 2ftu h ALA 25 N 2.29 2.64 0.00 1.53 0.00 -0.19 -1.44 119.26 124.09 2ftu h ALA 25 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ftu h ALA 25 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ftu h ALA 25 CO 0.00 -0.90 0.23 -0.56 0.00 0.00 0.00 179.25 178.03 2ftu h GLN 26 N 0.00 0.00 0.00 0.00 3.07 -1.66 -1.67 115.11 114.85 2ftu h GLN 26 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.08 2ftu h GLN 26 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.96 2ftu h GLN 26 CO -0.00 0.00 -0.19 0.43 0.09 0.00 0.00 178.83 179.16 2ftu n SER 27 N -2.15 0.00 0.40 0.06 7.64 -0.58 -4.99 113.62 113.99 2ftu n SER 27 Ca -0.01 -1.38 -0.17 0.00 1.01 0.00 0.00 58.87 58.32 2ftu n SER 27 Cb 0.26 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.00 -1.25 0.00 -0.43 0.00 -0.91 -3.44 119.26 113.23 2ftu h ALA 28 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ftu h ALA 28 Cb 1.15 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2ftu h ALA 28 CO 0.00 -1.20 -0.01 -1.71 0.00 0.00 0.00 179.25 176.34 2ftu n ASN 29 N -5.02 -0.02 -2.50 0.00 2.85 -1.26 -5.09 115.26 104.21 2ftu n ASN 29 Ca -0.13 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 53.80 2ftu n ASN 29 Cb 0.43 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.46 2ftu n ASN 29 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2ftu n LEU 30 N 0.00 0.00 -4.28 1.20 4.77 -1.26 -5.08 117.00 112.35 2ftu n LEU 30 Ca -0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 2ftu n LEU 30 Cb 0.27 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 2ftu n LEU 30 CO -0.00 -0.74 -0.46 0.42 -1.33 0.00 0.00 177.39 175.28 2ftu s THR 31 N -0.84 1.52 0.49 -5.08 -4.23 -1.26 -5.01 115.64 101.23 2ftu s THR 31 Ca 0.00 -1.82 0.21 0.00 -1.18 0.00 0.00 61.69 58.91 2ftu s THR 31 Cb 0.00 -1.67 0.27 0.00 1.34 0.00 0.00 72.50 72.43 2ftu s THR 31 CO 0.00 -0.39 2.10 0.44 -0.54 0.00 0.00 174.62 176.23 2ftu h ASP 32 N 3.37 0.00 0.00 3.99 3.32 -1.99 0.93 116.42 126.04 2ftu h ASP 32 Ca -0.41 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 2ftu h ASP 32 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2ftu h ASP 32 CO 0.51 0.09 -0.21 0.11 -1.72 0.00 0.00 179.24 178.02 2ftu h LYS 33 N 0.00 0.00 -0.68 3.56 6.56 -2.00 -3.11 116.57 120.91 2ftu h LYS 33 Ca -0.00 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.73 2ftu h LYS 33 Cb 0.19 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 31.74 2ftu h LYS 33 CO 0.01 0.68 0.09 1.49 -2.06 0.00 0.00 179.45 179.66 2ftu h GLU 34 N -1.00 0.19 0.27 3.15 4.57 -1.88 -1.40 114.58 118.49 2ftu h GLU 34 Ca -0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2ftu h GLU 34 Cb 0.76 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 2ftu h GLU 34 CO -0.03 0.13 -0.47 1.25 -1.18 0.00 0.00 179.01 178.71 2ftu h LEU 35 N 0.20 -1.35 -1.56 1.64 7.12 -0.95 0.15 115.31 120.55 2ftu h LEU 35 Ca 0.37 0.13 -0.01 0.00 0.13 0.00 0.00 57.88 58.50 2ftu h LEU 35 Cb 0.61 0.47 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 2ftu h LEU 35 CO -0.52 -0.55 0.17 -0.08 -0.13 0.00 0.00 178.44 177.33 2ftu h GLU 36 N -0.79 0.46 0.30 1.25 4.57 -1.25 0.27 114.58 119.39 2ftu h GLU 36 Ca -0.03 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2ftu h GLU 36 Cb 0.73 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2ftu h GLU 36 CO -0.16 0.35 -0.15 0.00 -1.18 0.00 0.00 179.01 177.88 2ftu h ALA 37 N 1.72 -0.41 -0.95 2.92 0.00 -1.00 -1.95 119.26 119.59 2ftu h ALA 37 Ca 0.12 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2ftu h ALA 37 Cb 0.04 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2ftu h ALA 37 CO -0.02 -0.58 0.61 0.35 0.00 0.00 0.00 179.25 179.61 2ftu h PHE 38 N -0.70 1.10 0.27 0.00 3.04 -0.21 -1.83 116.94 118.61 2ftu h PHE 38 Ca -0.04 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2ftu h PHE 38 Cb 0.48 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2ftu h PHE 38 CO 0.02 0.55 -0.13 -0.09 -2.02 0.00 0.00 178.31 176.64 2ftu h ARG 39 N 1.06 -0.34 -0.18 1.11 1.12 -0.38 0.20 114.38 116.98 2ftu h ARG 39 Ca 0.42 0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 59.21 2ftu h ARG 39 Cb 0.25 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 2ftu h ARG 39 CO -0.17 -0.17 -0.33 1.05 -3.11 0.00 0.00 179.97 177.25 2ftu h GLU 40 N -0.45 0.36 -0.68 0.20 -0.00 -1.16 -0.76 114.58 112.10 2ftu h GLU 40 Ca -0.04 -0.15 -0.08 0.00 -0.00 0.00 0.00 59.36 59.10 2ftu h GLU 40 Cb 0.34 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.05 2ftu h GLU 40 CO 0.06 0.65 0.12 1.05 -0.00 0.00 0.00 179.01 180.88 2ftu h GLU 41 N 0.31 1.11 -0.38 1.06 4.11 -0.87 -0.71 114.58 119.21 2ftu h GLU 41 Ca 0.04 -0.29 -0.02 0.00 0.07 0.00 0.00 59.36 59.15 2ftu h GLU 41 Cb 0.73 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2ftu h GLU 41 CO 0.06 1.01 0.13 -0.07 0.07 0.00 0.00 179.01 180.21 2ftu h LEU 42 N 1.04 0.49 -0.32 3.06 -0.00 -0.33 0.19 115.31 119.43 2ftu h LEU 42 Ca 0.21 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.95 2ftu h LEU 42 Cb 0.43 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2ftu h LEU 42 CO 0.01 0.46 -0.12 0.50 -0.00 0.00 0.00 178.44 179.29 2ftu h LYS 43 N 0.54 0.64 -0.96 1.13 1.63 -0.03 0.29 116.57 119.80 2ftu h LYS 43 Ca 0.13 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2ftu h LYS 43 Cb 0.14 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.70 2ftu h LYS 43 CO -0.01 0.84 0.60 0.45 -3.45 0.00 0.00 179.45 177.88 2ftu h HIS 44 N 0.41 1.25 0.33 1.91 3.86 -0.74 -1.87 115.15 120.30 2ftu h HIS 44 Ca 0.08 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2ftu h HIS 44 Cb 0.63 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2ftu h HIS 44 CO 0.06 0.82 -0.16 0.35 0.86 0.00 0.00 177.93 179.86 2ftu h PHE 45 N 1.32 -0.41 -0.67 2.45 3.04 -0.32 -1.32 116.94 121.04 2ftu h PHE 45 Ca 0.35 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.32 2ftu h PHE 45 Cb -0.08 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.52 2ftu h PHE 45 CO 0.00 -0.09 0.44 1.05 -2.02 0.00 0.00 178.31 177.70 2ftu h GLU 46 N -0.75 0.78 0.17 1.11 -0.00 -0.43 -0.23 114.58 115.24 2ftu h GLU 46 Ca -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.26 2ftu h GLU 46 Cb 0.50 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2ftu h GLU 46 CO 0.07 0.52 -0.08 0.00 -0.00 0.00 0.00 179.01 179.52 2ftu h ALA 47 N 1.61 -0.23 -0.01 1.06 0.00 -1.29 -1.15 119.26 119.25 2ftu h ALA 47 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ftu h ALA 47 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2ftu h ALA 47 CO -0.07 -0.53 -0.14 0.87 0.00 0.00 0.00 179.25 179.37 2ftu h LYS 48 N -0.43 -0.22 -0.33 0.00 6.56 -0.36 -1.85 116.57 119.94 2ftu h LYS 48 Ca -0.02 0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 2ftu h LYS 48 Cb 0.33 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 2ftu h LYS 48 CO 0.04 -0.15 -0.24 0.97 -2.06 0.00 0.00 179.45 178.00 2ftu h ILE 49 N -0.23 1.27 -0.61 1.86 6.09 -1.12 -1.23 117.51 123.54 2ftu h ILE 49 Ca 0.05 -1.32 0.08 0.00 -1.37 0.00 0.00 64.86 62.29 2ftu h ILE 49 Cb 0.30 1.29 -0.06 0.00 0.47 0.00 0.00 36.82 38.81 2ftu h ILE 49 CO -0.14 0.43 0.28 -0.33 -3.07 0.00 0.00 178.15 175.32 2ftu h GLU 50 N 0.56 0.49 0.01 2.19 4.39 -0.89 0.55 114.58 121.89 2ftu h GLU 50 Ca 0.08 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.52 2ftu h GLU 50 Cb 0.72 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2ftu h GLU 50 CO 0.06 0.32 -0.97 0.87 -1.16 0.00 0.00 179.01 178.13 2ftu h LYS 51 N 0.51 0.41 -0.13 2.33 1.57 -0.97 0.98 116.57 121.27 2ftu h LYS 51 Ca 0.29 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2ftu h LYS 51 Cb 0.29 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2ftu h LYS 51 CO -0.25 1.13 -0.38 1.25 -0.57 0.00 0.00 179.45 180.63 2ftu h HIS 52 N 0.22 -1.13 -0.86 -1.35 2.76 -0.90 -0.69 115.15 113.20 2ftu h HIS 52 Ca -0.09 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 58.27 2ftu h HIS 52 Cb 1.62 0.51 -0.15 0.00 1.55 0.00 0.00 27.41 30.94 2ftu h HIS 52 CO 0.06 -0.37 -0.36 -0.97 -1.30 0.00 0.00 177.93 174.99 2ftu h ASN 53 N -0.38 -1.31 -0.74 3.26 -1.24 -0.87 0.13 115.58 114.43 2ftu h ASN 53 Ca 0.03 0.28 0.01 0.00 0.71 0.00 0.00 56.30 57.33 2ftu h ASN 53 Cb 0.46 0.68 -0.04 0.00 0.73 0.00 0.00 38.32 40.16 2ftu h ASN 53 CO -0.32 -0.29 0.48 -0.74 -1.29 0.00 0.00 177.43 175.27 2ftu h HIS 54 N -0.05 0.91 -0.25 0.67 2.76 -0.38 -0.25 115.15 118.56 2ftu h HIS 54 Ca 0.31 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.37 2ftu h HIS 54 Cb 0.59 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 2ftu h HIS 54 CO -0.78 0.56 -0.39 1.88 -1.30 0.00 0.00 177.93 177.90 2ftu h TYR 55 N 0.98 0.87 -0.80 5.26 -1.99 -0.34 -1.96 116.97 118.99 2ftu h TYR 55 Ca 0.28 -0.30 0.08 0.00 2.00 0.00 0.00 58.73 60.79 2ftu h TYR 55 Cb -0.07 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 38.42 2ftu h TYR 55 CO -0.03 1.07 0.46 1.96 -0.00 0.00 0.00 178.16 181.62 2ftu h GLN 56 N 0.42 0.79 0.51 4.88 1.08 0.05 0.49 115.11 123.33 2ftu h GLN 56 Ca 0.02 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2ftu h GLN 56 Cb 0.98 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2ftu h GLN 56 CO 0.09 0.52 -0.29 0.87 -0.95 0.00 0.00 178.83 179.07 2ftu h LYS 57 N 0.81 -0.72 0.00 1.46 1.79 -1.06 -1.30 116.57 117.55 2ftu h LYS 57 Ca 0.37 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2ftu h LYS 57 Cb 0.28 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2ftu h LYS 57 CO -0.21 -0.48 -0.01 1.96 -1.08 0.00 0.00 179.45 179.63 2ftu h GLN 58 N -0.75 0.00 -0.00 3.15 1.08 -0.50 -1.92 115.11 116.17 2ftu h GLN 58 Ca -0.06 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 2ftu h GLN 58 Cb 0.60 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2ftu h GLN 58 CO 0.08 0.01 -0.36 1.25 -0.95 0.00 0.00 178.83 178.86 2ftu h LEU 59 N 0.00 0.32 0.36 1.46 6.46 0.85 0.14 115.31 124.89 2ftu h LEU 59 Ca -0.00 -0.77 -0.01 0.00 -0.12 0.00 0.00 57.88 56.98 2ftu h LEU 59 Cb 0.07 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2ftu h LEU 59 CO 0.00 1.05 -0.22 -0.08 -0.62 0.00 0.00 178.44 178.57 2ftu h GLU 60 N -0.37 -0.53 -0.30 1.25 4.22 -1.07 0.29 114.58 118.07 2ftu h GLU 60 Ca -0.04 0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 2ftu h GLU 60 Cb 1.10 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2ftu h GLU 60 CO 0.07 -0.36 -0.01 0.82 -2.18 0.00 0.00 179.01 177.36 2ftu h ILE 61 N -0.55 1.18 0.07 2.32 2.04 -1.38 0.37 117.51 121.56 2ftu h ILE 61 Ca -0.04 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2ftu h ILE 61 Cb 0.46 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2ftu h ILE 61 CO 0.04 0.24 -0.03 0.00 0.00 0.00 0.00 178.15 178.40 2ftu h ALA 62 N 1.57 -0.10 -0.71 1.87 0.00 -0.52 -1.83 119.26 119.54 2ftu h ALA 62 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ftu h ALA 62 Cb 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2ftu h ALA 62 CO 0.01 -0.41 0.42 1.25 0.00 0.00 0.00 179.25 180.51 2ftu h HIS 63 N -0.38 0.95 -0.21 0.00 -0.00 0.65 0.11 115.15 116.27 2ftu h HIS 63 Ca -0.01 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 2ftu h HIS 63 Cb 0.33 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2ftu h HIS 63 CO 0.02 0.65 -0.08 1.49 -0.00 0.00 0.00 177.93 180.01 2ftu h GLU 64 N 0.97 0.42 -0.45 5.26 4.81 -1.04 -1.01 114.58 123.54 2ftu h GLU 64 Ca 0.25 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2ftu h GLU 64 Cb -0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2ftu h GLU 64 CO -0.05 0.69 0.30 0.87 -0.73 0.00 0.00 179.01 180.10 2ftu h LYS 65 N 0.13 0.53 0.55 1.92 1.79 -1.00 0.16 116.57 120.65 2ftu h LYS 65 Ca 0.05 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2ftu h LYS 65 Cb 0.56 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2ftu h LYS 65 CO 0.03 0.35 -0.28 1.25 -1.08 0.00 0.00 179.45 179.72 2ftu h LEU 66 N 0.55 -0.67 -1.17 2.94 6.46 -0.54 0.82 115.31 123.70 2ftu h LEU 66 Ca 0.18 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 58.14 2ftu h LEU 66 Cb 0.03 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 40.06 2ftu h LEU 66 CO -0.04 -0.46 0.61 -0.09 -0.62 0.00 0.00 178.44 177.83 2ftu h ARG 67 N -0.76 0.69 -0.04 1.25 9.65 -0.31 0.16 114.38 125.02 2ftu h ARG 67 Ca -0.07 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 2ftu h ARG 67 Cb 0.59 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 2ftu h ARG 67 CO 0.11 0.45 -0.10 1.25 2.80 0.00 0.00 179.97 184.49 2ftu h HIS 68 N 0.71 0.18 0.00 2.20 2.76 -0.75 -3.26 115.15 116.98 2ftu h HIS 68 Ca 0.52 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.57 2ftu h HIS 68 Cb 0.88 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 2ftu h HIS 68 CO -0.00 0.70 -0.27 0.00 -1.30 0.00 0.00 177.93 177.06 2ftu h ALA 69 N 0.45 1.07 0.00 5.26 0.00 -0.00 -2.21 119.26 123.82 2ftu h ALA 69 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ftu h ALA 69 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ftu h ALA 69 CO 0.02 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.00 2ftu n GLU 70 N -3.51 0.14 0.00 0.00 -0.58 0.48 -0.71 120.64 116.46 2ftu n GLU 70 Ca -0.00 0.45 0.11 0.00 -0.42 0.00 0.00 57.16 57.29 2ftu n GLU 70 Cb 0.43 -1.81 0.66 0.00 -0.57 0.00 0.00 31.44 30.14 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 -2.08 0.00 -3.79 1.62 2.88 -0.83 -4.60 113.62 106.81 2ftu n SER 71 Ca 0.01 -1.17 -0.24 0.00 -1.33 0.00 0.00 58.87 56.15 2ftu n SER 71 Cb 0.16 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.45 2ftu n SER 71 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ftu s VAL 72 N -2.00 0.49 -1.13 2.46 1.01 0.12 -5.02 120.40 116.33 2ftu s VAL 72 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2ftu s VAL 72 Cb 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.89 2ftu s VAL 72 CO 0.26 0.26 0.33 0.61 0.00 0.00 0.00 175.10 176.56 2ftu n GLY 73 N 5.11 -0.02 3.49 4.51 0.00 -1.26 -4.41 105.19 112.61 2ftu n GLY 73 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2ftu n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ftu n ASP 74 N -0.83 3.67 0.20 1.61 9.92 -1.26 -4.82 116.55 125.04 2ftu n ASP 74 Ca 0.00 -2.78 0.13 0.00 -0.53 0.00 0.00 54.79 51.61 2ftu n ASP 74 Cb 0.01 -1.68 0.68 0.00 -0.64 0.00 0.00 41.12 39.49 2ftu n ASP 74 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2ftu h GLY 75 N 15.31 0.00 -0.12 0.44 0.00 -1.94 -2.23 103.07 114.53 2ftu h GLY 75 Ca 0.33 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.81 2ftu h GLY 75 CO 1.41 0.00 0.07 1.05 0.00 0.00 0.00 176.54 179.06 2ftu h GLU 76 N 0.00 0.17 0.07 4.80 4.11 -1.94 -0.01 114.58 121.78 2ftu h GLU 76 Ca 0.00 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 2ftu h GLU 76 Cb 0.08 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.31 2ftu h GLU 76 CO 0.00 0.11 -0.77 0.00 0.07 0.00 0.00 179.01 178.42 2ftu h ARG 77 N 0.17 0.39 -0.64 1.06 3.08 -1.78 -1.57 114.38 115.09 2ftu h ARG 77 Ca 0.38 -0.52 0.07 0.00 0.07 0.00 0.00 59.98 59.98 2ftu h ARG 77 Cb 0.63 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 2ftu h ARG 77 CO -0.55 1.20 0.32 0.28 -1.07 0.00 0.00 179.97 180.15 2ftu h VAL 78 N -0.17 0.89 0.77 2.04 2.07 -1.62 -0.56 116.25 119.68 2ftu h VAL 78 Ca -0.12 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2ftu h VAL 78 Cb 1.53 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2ftu h VAL 78 CO 0.15 0.11 -0.37 -1.28 0.02 0.00 0.00 177.57 176.19 2ftu h SER 79 N 0.58 -0.88 -0.96 0.57 0.87 -0.92 -0.29 113.55 112.53 2ftu h SER 79 Ca 0.30 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.97 2ftu h SER 79 Cb 0.27 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 2ftu h SER 79 CO -0.23 -0.52 0.61 -0.09 -0.53 0.00 0.00 176.83 176.08 2ftu h ARG 80 N -1.24 0.99 0.23 2.24 1.12 -1.16 -0.51 114.38 116.04 2ftu h ARG 80 Ca -0.11 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.70 2ftu h ARG 80 Cb 0.80 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 2ftu h ARG 80 CO 0.17 0.65 -0.28 0.77 -3.11 0.00 0.00 179.97 178.17 2ftu h SER 81 N 1.01 -0.79 -0.84 -3.80 0.02 -1.09 -2.03 113.55 106.03 2ftu h SER 81 Ca 0.44 0.07 0.17 0.00 -0.84 0.00 0.00 61.79 61.62 2ftu h SER 81 Cb 0.34 0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.09 2ftu h SER 81 CO -0.19 -0.35 0.55 0.03 -1.14 0.00 0.00 176.83 175.72 2ftu h ARG 82 N -0.52 0.46 0.45 3.45 3.08 0.35 0.70 114.38 122.35 2ftu h ARG 82 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2ftu h ARG 82 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ftu h ARG 82 CO -0.06 0.31 -0.22 1.49 -1.07 0.00 0.00 179.97 180.42 2ftu h GLU 83 N 0.48 -0.59 0.00 0.04 4.81 -1.09 -1.79 114.58 116.44 2ftu h GLU 83 Ca 0.42 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 2ftu h GLU 83 Cb 0.93 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2ftu h GLU 83 CO -0.16 -0.39 -0.19 -0.22 -0.73 0.00 0.00 179.01 177.32 2ftu h LYS 84 N -0.93 0.00 0.71 1.92 3.11 -1.05 -1.72 116.57 118.60 2ftu h LYS 84 Ca -0.06 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 2ftu h LYS 84 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2ftu h LYS 84 CO 0.10 0.19 -0.36 1.25 -2.81 0.00 0.00 179.45 177.82 2ftu h HIS 85 N 0.00 -0.93 -0.68 1.91 2.76 -0.88 -0.88 115.15 116.44 2ftu h HIS 85 Ca -0.00 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2ftu h HIS 85 Cb 0.40 0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.64 2ftu h HIS 85 CO 0.00 -0.57 0.33 0.00 -1.30 0.00 0.00 177.93 176.39 2ftu h ALA 86 N -0.70 0.88 -0.03 5.26 0.00 -0.85 -1.44 119.26 122.38 2ftu h ALA 86 Ca -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2ftu h ALA 86 Cb 0.76 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2ftu h ALA 86 CO 0.15 0.43 -0.30 1.25 0.00 0.00 0.00 179.25 180.78 2ftu h LEU 87 N 0.94 -0.90 -0.00 0.00 5.85 -1.31 0.12 115.31 120.02 2ftu h LEU 87 Ca 0.23 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.09 2ftu h LEU 87 Cb 0.11 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2ftu h LEU 87 CO -0.03 -0.36 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.56 2ftu h LEU 88 N -0.43 -0.22 -0.48 2.25 4.07 -0.87 -1.95 115.31 117.68 2ftu h LEU 88 Ca 0.07 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.14 2ftu h LEU 88 Cb 0.53 0.10 -0.07 0.00 1.08 0.00 0.00 40.66 42.30 2ftu h LEU 88 CO -0.27 -0.11 0.10 -0.08 -1.08 0.00 0.00 178.44 176.99 2ftu h GLU 89 N -0.13 0.23 0.06 1.13 4.22 -0.99 0.25 114.58 119.35 2ftu h GLU 89 Ca 0.03 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.48 2ftu h GLU 89 Cb 0.17 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2ftu h GLU 89 CO -0.08 0.15 -0.43 0.78 -2.18 0.00 0.00 179.01 177.25 2ftu h GLY 90 N 0.23 -0.84 1.14 1.92 0.00 -0.71 0.17 103.07 104.98 2ftu h GLY 90 Ca 0.24 0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.98 2ftu h GLY 90 CO -0.31 -0.26 -0.08 -0.09 0.00 0.00 0.00 176.54 175.81 2ftu h ARG 91 N -0.62 1.01 0.17 4.80 1.12 -0.72 -1.97 114.38 118.16 2ftu h ARG 91 Ca 0.03 -0.35 -0.01 0.00 -1.11 0.00 0.00 59.98 58.54 2ftu h ARG 91 Cb 0.67 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.56 2ftu h ARG 91 CO -0.28 1.04 -0.08 1.79 -3.11 0.00 0.00 179.97 179.32 2ftu h THR 92 N 0.91 0.90 -0.38 0.20 1.35 -0.14 0.12 112.91 115.88 2ftu h THR 92 Ca 0.15 -0.30 -0.02 0.00 -0.55 0.00 0.00 66.41 65.69 2ftu h THR 92 Cb 0.63 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 2ftu h THR 92 CO 0.04 0.07 0.15 0.50 -0.25 0.00 0.00 175.52 176.03 2ftu h LYS 93 N -0.36 0.57 -0.86 4.72 3.64 -0.96 0.26 116.57 123.58 2ftu h LYS 93 Ca -0.02 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2ftu h LYS 93 Cb 0.28 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2ftu h LYS 93 CO 0.04 0.56 0.49 1.49 -2.27 0.00 0.00 179.45 179.75 2ftu h GLU 94 N 0.47 1.19 -0.11 1.90 4.81 -1.32 -1.59 114.58 119.92 2ftu h GLU 94 Ca 0.13 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2ftu h GLU 94 Cb 0.20 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2ftu h GLU 94 CO -0.01 0.86 -0.31 1.25 -0.73 0.00 0.00 179.01 180.08 2ftu h LEU 95 N 1.20 0.47 -0.83 1.64 7.12 0.00 -0.86 115.31 124.06 2ftu h LEU 95 Ca 0.31 -0.59 0.09 0.00 0.13 0.00 0.00 57.88 57.81 2ftu h LEU 95 Cb 0.01 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 39.93 2ftu h LEU 95 CO -0.05 0.98 0.48 1.23 -0.13 0.00 0.00 178.44 180.95 2ftu h GLY 96 N -0.02 1.28 0.97 3.75 0.00 -0.43 0.24 103.07 108.87 2ftu h GLY 96 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.00 2ftu h GLY 96 CO 0.07 0.15 0.12 -1.82 0.00 0.00 0.00 176.54 175.05 2ftu h TYR 97 N 0.82 0.22 0.24 5.60 3.20 -1.22 0.11 116.97 125.94 2ftu h TYR 97 Ca 0.39 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2ftu h TYR 97 Cb 0.33 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2ftu h TYR 97 CO -0.06 0.13 -0.22 1.15 -1.64 0.00 0.00 178.16 177.53 2ftu h THR 98 N 0.24 0.52 -0.10 1.81 2.02 0.42 -1.44 112.91 116.39 2ftu h THR 98 Ca 0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.29 2ftu h THR 98 Cb -0.01 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 2ftu h THR 98 CO -0.03 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 176.01 2ftu h VAL 99 N -0.49 0.13 -0.56 3.16 2.07 -0.56 -1.91 116.25 118.09 2ftu h VAL 99 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2ftu h VAL 99 Cb 0.45 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2ftu h VAL 99 CO -0.04 0.00 0.26 0.50 0.02 0.00 0.00 177.57 178.31 2ftu h LYS 100 N -0.52 0.47 0.94 1.57 3.11 -0.29 0.44 116.57 122.29 2ftu h LYS 100 Ca 0.06 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.83 2ftu h LYS 100 Cb 0.64 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.77 2ftu h LYS 100 CO -0.38 0.31 -0.46 0.87 -2.81 0.00 0.00 179.45 176.98 2ftu h LYS 101 N 0.49 -1.23 -0.98 1.90 1.57 -1.12 -0.48 116.57 116.72 2ftu h LYS 101 Ca 0.26 0.08 0.12 0.00 -1.87 0.00 0.00 60.65 59.25 2ftu h LYS 101 Cb 0.23 0.28 -0.08 0.00 0.08 0.00 0.00 32.23 32.73 2ftu h LYS 101 CO -0.21 -0.82 0.62 1.25 -0.57 0.00 0.00 179.45 179.72 2ftu h HIS 102 N -1.27 1.09 -0.19 -1.35 2.76 -0.78 -1.36 115.15 114.04 2ftu h HIS 102 Ca -0.13 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 2ftu h HIS 102 Cb 0.98 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2ftu h HIS 102 CO -0.01 0.43 0.06 1.25 -1.30 0.00 0.00 177.93 178.37 2ftu h LEU 103 N 0.95 0.28 -0.74 0.26 5.85 -0.05 0.22 115.31 122.08 2ftu h LEU 103 Ca 0.48 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.07 2ftu h LEU 103 Cb 0.51 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2ftu h LEU 103 CO -0.25 0.40 0.44 1.56 -0.34 0.00 0.00 178.44 180.25 2ftu h GLN 104 N 0.14 0.78 0.44 1.25 4.20 -0.02 0.20 115.11 122.10 2ftu h GLN 104 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2ftu h GLN 104 Cb 0.22 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2ftu h GLN 104 CO -0.00 0.52 -0.27 -0.44 -0.67 0.00 0.00 178.83 177.96 2ftu h ASP 105 N 0.80 -0.68 -0.24 1.46 5.19 -1.02 0.71 116.42 122.63 2ftu h ASP 105 Ca 0.33 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.83 2ftu h ASP 105 Cb 0.17 0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 2ftu h ASP 105 CO -0.17 -0.41 -0.09 -0.07 -3.12 0.00 0.00 179.24 175.37 2ftu h LEU 106 N -0.66 -0.31 -2.33 1.55 4.07 -0.82 0.22 115.31 117.02 2ftu h LEU 106 Ca -0.06 0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2ftu h LEU 106 Cb 0.53 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 2ftu h LEU 106 CO 0.06 -0.12 -0.00 -1.28 -1.08 0.00 0.00 178.44 176.02 2ftu h SER 107 N -0.05 0.00 1.03 -0.43 0.87 -0.64 0.12 113.55 114.46 2ftu h SER 107 Ca 0.12 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 2ftu h SER 107 Cb 0.23 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2ftu h SER 107 CO -0.27 0.00 -1.02 1.23 -0.53 0.00 0.00 176.83 176.24 2ftu h GLY 108 N 0.88 0.00 0.00 5.77 0.00 0.18 -3.39 103.07 106.50 2ftu h GLY 108 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2ftu h GLY 108 CO 0.00 0.00 -0.25 3.21 0.00 0.00 0.00 176.54 179.50 2ftu h ARG 109 N 0.00 0.00 -0.44 4.80 -0.00 0.99 -3.38 114.38 116.35 2ftu h ARG 109 Ca -0.08 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 59.49 2ftu h ARG 109 Cb 1.64 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 31.53 2ftu h ARG 109 CO 0.08 0.83 -0.07 0.82 0.00 0.00 0.00 179.97 181.63 2ftu h ILE 110 N -1.00 0.59 0.00 2.04 1.08 -1.06 -1.38 117.51 117.79 2ftu h ILE 110 Ca -0.06 -0.01 -0.18 0.00 -0.39 0.00 0.00 64.86 64.22 2ftu h ILE 110 Cb 0.90 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2ftu h ILE 110 CO -0.04 0.01 -0.84 0.28 -0.69 0.00 0.00 178.15 176.87 2ftu h SER 111 N 0.04 0.00 0.30 1.72 0.02 -1.79 -3.09 113.55 110.75 2ftu h SER 111 Ca 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2ftu h SER 111 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2ftu h SER 111 CO -0.42 0.84 -0.16 -0.09 -1.14 0.00 0.00 176.83 175.85 2ftu h ARG 112 N 0.00 -0.42 -6.01 3.45 9.65 -1.57 -3.47 114.38 116.02 2ftu h ARG 112 Ca -0.01 0.03 -0.24 0.00 -1.10 0.00 0.00 59.98 58.66 2ftu h ARG 112 Cb 1.49 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 30.17 2ftu h ARG 112 CO 0.11 -0.28 -0.51 0.00 2.80 0.00 0.00 179.97 182.09 2ftu n ALA 113 N -2.31 -1.82 -1.53 2.80 0.00 -0.58 -4.94 120.51 112.12 2ftu n ALA 113 Ca -0.10 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2ftu n ALA 113 Cb 0.20 -0.43 0.10 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.75 1.94 -1.43 0.00 1.70 -1.26 -4.96 118.95 111.20 2ftu s ARG 114 Ca 0.03 0.62 -0.14 0.00 -0.47 0.00 0.00 55.73 55.77 2ftu s ARG 114 Cb -0.02 -1.90 0.05 0.00 -0.57 0.00 0.00 34.95 32.51 2ftu s ARG 114 CO 0.42 -1.71 2.14 0.72 -1.08 0.00 0.00 175.30 175.79 2ftu n HIS 115 N -3.49 3.66 -0.74 5.89 8.25 -1.26 -3.86 115.22 123.67 2ftu n HIS 115 Ca 0.07 -2.95 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 2ftu n HIS 115 Cb 0.56 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.14 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 6.25 0.00 -2.35 0.41 2.85 -1.26 -5.00 115.26 116.16 2ftu n ASN 116 Ca 0.51 -0.34 -0.20 0.00 -0.11 0.00 0.00 54.58 54.44 2ftu n ASN 116 Cb 0.40 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.41 2ftu n ASN 116 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2ftu n GLU 117 N 0.00 -1.88 -0.99 1.20 2.13 -1.25 -5.11 120.64 114.74 2ftu n GLU 117 Ca 0.00 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2ftu n GLU 117 Cb 0.17 -5.60 0.00 0.00 0.27 0.00 0.00 31.44 26.28 2ftu n GLU 117 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00