#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifb n PHE 2 N 0.00 -2.04 -1.48 0.00 3.01 -1.26 -5.05 117.46 110.64 3ifb n PHE 2 Ca 0.00 0.40 -0.52 0.00 1.01 0.00 0.00 57.45 58.33 3ifb n PHE 2 Cb 0.00 1.14 -0.05 0.00 -0.01 0.00 0.00 39.48 40.56 3ifb n PHE 2 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3ifb n ASP 3 N -2.91 -0.13 -3.76 4.37 9.92 -1.26 -4.91 116.55 117.88 3ifb n ASP 3 Ca 0.00 1.15 -0.05 0.00 -0.53 0.00 0.00 54.79 55.36 3ifb n ASP 3 Cb 0.00 -1.01 -0.02 0.00 -0.64 0.00 0.00 41.12 39.46 3ifb n ASP 3 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3ifb s SER 4 N -0.38 -0.22 -0.96 -2.24 0.01 -1.02 -4.98 113.70 103.91 3ifb s SER 4 Ca 0.76 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.59 3ifb s SER 4 Cb -1.04 0.55 0.30 0.00 0.21 0.00 0.00 66.02 66.04 3ifb s SER 4 CO 0.56 -1.01 1.31 0.41 0.41 0.00 0.00 173.24 174.92 3ifb n THR 5 N -0.45 4.61 -0.81 1.44 -1.04 -1.26 -1.54 114.28 115.23 3ifb n THR 5 Ca -0.06 -5.76 -0.29 0.00 -2.04 0.00 0.00 64.05 55.89 3ifb n THR 5 Cb 0.60 -2.05 0.20 0.00 -1.82 0.00 0.00 70.33 67.26 3ifb n THR 5 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3ifb s TRP 6 N -2.80 1.72 -0.18 -1.42 0.52 0.16 -1.94 118.94 115.01 3ifb s TRP 6 Ca 0.34 1.30 -0.08 0.00 0.02 0.00 0.00 56.10 57.67 3ifb s TRP 6 Cb 0.08 -3.18 0.07 0.00 -1.15 0.00 0.00 33.47 29.30 3ifb s TRP 6 CO 0.07 -3.20 0.42 0.21 0.02 0.00 0.00 176.95 174.47 3ifb s LYS 7 N -4.67 0.37 -0.64 4.98 2.36 0.16 -1.63 119.74 120.68 3ifb s LYS 7 Ca 0.66 0.90 -0.30 0.00 -2.55 0.00 0.00 55.97 54.68 3ifb s LYS 7 Cb -0.22 0.12 -0.13 0.00 -1.05 0.00 0.00 37.83 36.54 3ifb s LYS 7 CO 0.61 -0.20 2.46 0.28 1.55 0.00 0.00 175.35 180.06 3ifb n VAL 8 N 4.71 0.01 -0.07 4.02 0.31 0.51 -1.17 118.33 126.64 3ifb n VAL 8 Ca -0.17 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 3ifb n VAL 8 Cb 0.53 -1.73 0.01 0.00 -0.91 0.00 0.00 33.84 31.74 3ifb n VAL 8 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ifb h ASP 9 N 15.31 0.86 -5.18 4.52 5.19 -1.66 -3.44 116.42 132.03 3ifb h ASP 9 Ca -0.18 -0.41 -0.04 0.00 -0.62 0.00 0.00 57.03 55.77 3ifb h ASP 9 Cb 1.30 -0.24 -0.10 0.00 0.18 0.00 0.00 39.33 40.46 3ifb h ASP 9 CO 1.21 1.17 -0.08 0.00 -3.12 0.00 0.00 179.24 178.42 3ifb s ARG 10 N -4.27 1.43 0.11 3.56 1.70 -1.07 -5.05 118.95 115.36 3ifb s ARG 10 Ca -0.10 -1.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 3ifb s ARG 10 Cb 0.11 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 3ifb s ARG 10 CO 0.87 -0.59 -0.08 -1.12 -1.08 0.00 0.00 175.30 173.29 3ifb s SER 11 N -2.95 1.36 0.08 -2.89 0.01 -1.26 -2.14 113.70 105.90 3ifb s SER 11 Ca 0.16 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.46 3ifb s SER 11 Cb -0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 3ifb s SER 11 CO 0.03 -0.40 -0.07 -1.83 0.41 0.00 0.00 173.24 171.38 3ifb s GLU 12 N -3.68 0.75 -1.36 12.44 -1.05 -0.73 -4.79 118.70 120.28 3ifb s GLU 12 Ca 0.12 -1.15 -0.13 0.00 -0.15 0.00 0.00 54.97 53.67 3ifb s GLU 12 Cb 0.03 -0.26 0.11 0.00 -0.44 0.00 0.00 34.13 33.57 3ifb s GLU 12 CO -0.03 0.01 0.55 0.09 0.95 0.00 0.00 175.26 176.83 3ifb n ASN 13 N 0.46 -3.21 -0.10 0.83 4.13 -1.26 -2.88 115.26 113.22 3ifb n ASN 13 Ca -0.16 -0.58 -0.20 0.00 1.68 0.00 0.00 54.58 55.33 3ifb n ASN 13 Cb 0.59 -2.67 -0.09 0.00 -1.54 0.00 0.00 39.78 36.06 3ifb n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ifb n TYR 14 N -3.96 0.84 -0.11 3.10 4.19 -1.26 -1.24 117.16 118.72 3ifb n TYR 14 Ca 0.03 0.36 0.08 0.00 3.31 0.00 0.00 57.90 61.68 3ifb n TYR 14 Cb 0.51 -1.01 0.41 0.00 0.49 0.00 0.00 39.34 39.75 3ifb n TYR 14 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 3ifb h ASP 15 N -1.00 0.53 0.46 2.98 3.32 -1.97 0.29 116.42 121.03 3ifb h ASP 15 Ca -0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 3ifb h ASP 15 Cb 1.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3ifb h ASP 15 CO -0.20 0.35 -0.22 0.11 -1.72 0.00 0.00 179.24 177.56 3ifb h LYS 16 N 0.61 -0.60 -0.61 3.56 6.56 -1.95 -1.22 116.57 122.92 3ifb h LYS 16 Ca 0.27 0.04 0.12 0.00 -1.06 0.00 0.00 60.65 60.02 3ifb h LYS 16 Cb 0.28 0.14 -0.09 0.00 -0.57 0.00 0.00 32.23 31.99 3ifb h LYS 16 CO -0.08 -0.40 0.12 0.35 -2.06 0.00 0.00 179.45 177.38 3ifb h PHE 17 N -1.10 0.18 0.03 -1.35 3.04 -0.66 -2.19 116.94 114.88 3ifb h PHE 17 Ca -0.06 0.04 -0.25 0.00 3.98 0.00 0.00 57.97 61.67 3ifb h PHE 17 Cb 0.47 0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.01 3ifb h PHE 17 CO 0.01 -0.05 -1.03 0.00 -2.02 0.00 0.00 178.31 175.22 3ifb h MET 18 N 0.24 0.49 -0.91 1.11 -0.00 -0.54 -1.60 114.93 113.72 3ifb h MET 18 Ca 0.32 -0.57 0.26 0.00 -0.00 0.00 0.00 59.70 59.71 3ifb h MET 18 Cb 0.48 0.17 -0.14 0.00 -0.00 0.00 0.00 31.60 32.11 3ifb h MET 18 CO -0.42 1.20 0.32 1.49 -0.00 0.00 0.00 176.91 179.50 3ifb h GLU 19 N 0.26 0.23 -0.01 -0.10 4.81 -0.63 -0.16 114.58 118.98 3ifb h GLU 19 Ca -0.11 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.86 3ifb h GLU 19 Cb 1.68 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 31.02 3ifb h GLU 19 CO 0.19 0.15 -0.98 0.87 -0.73 0.00 0.00 179.01 178.51 3ifb h LYS 20 N 0.23 0.58 -0.47 1.92 1.79 -1.08 -3.04 116.57 116.51 3ifb h LYS 20 Ca 0.60 -0.61 0.08 0.00 -2.18 0.00 0.00 60.65 58.54 3ifb h LYS 20 Cb 1.26 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 32.02 3ifb h LYS 20 CO -0.65 1.23 0.10 0.52 -1.08 0.00 0.00 179.45 179.56 3ifb h MET 21 N 0.34 0.23 0.00 3.15 2.86 -0.11 -3.45 114.93 117.94 3ifb h MET 21 Ca -0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3ifb h MET 21 Cb 1.62 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.23 3ifb h MET 21 CO 0.18 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.71 3ifb n GLY 22 N -1.27 0.00 2.79 8.32 0.00 -0.24 -5.10 105.19 109.69 3ifb n GLY 22 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3ifb n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 23 N 0.00 1.45 0.92 1.61 1.01 -0.96 -5.02 120.40 119.42 3ifb s VAL 23 Ca 0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 61.98 59.70 3ifb s VAL 23 Cb 0.00 -2.05 0.14 0.00 0.00 0.00 0.00 36.38 34.48 3ifb s VAL 23 CO 0.00 -0.76 1.09 0.54 0.00 0.00 0.00 175.10 175.97 3ifb s ASN 24 N 0.85 3.25 0.31 3.32 6.03 -1.26 -3.95 114.94 123.49 3ifb s ASN 24 Ca 0.14 1.39 0.22 0.00 -1.03 0.00 0.00 52.86 53.58 3ifb s ASN 24 Cb -0.21 -2.07 1.08 0.00 -3.03 0.00 0.00 41.25 37.02 3ifb s ASN 24 CO -0.10 -2.77 1.17 2.30 -2.03 0.00 0.00 177.10 175.67 3ifb n ILE 25 N -3.96 -0.22 0.07 0.54 -5.35 -1.26 0.21 119.36 109.38 3ifb n ILE 25 Ca 0.06 1.39 -0.15 0.00 -0.27 0.00 0.00 62.75 63.78 3ifb n ILE 25 Cb 0.56 -2.27 -0.14 0.00 -1.74 0.00 0.00 39.64 36.05 3ifb n ILE 25 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3ifb h VAL 26 N 0.00 1.24 0.00 7.28 2.07 -1.99 -1.70 116.25 123.15 3ifb h VAL 26 Ca 0.65 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3ifb h VAL 26 Cb 1.99 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 34.54 3ifb h VAL 26 CO -0.41 0.83 0.00 1.17 0.02 0.00 0.00 177.57 179.18 3ifb n LYS 27 N -3.44 0.14 0.00 1.57 3.00 0.55 -1.38 118.16 118.61 3ifb n LYS 27 Ca -0.14 0.52 -0.19 0.00 -0.00 0.00 0.00 58.31 58.50 3ifb n LYS 27 Cb 1.03 -1.86 -0.14 0.00 0.00 0.00 0.00 35.03 34.06 3ifb n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3ifb n ARG 28 N -2.14 0.74 -0.05 1.64 1.74 0.02 -2.02 116.66 116.59 3ifb n ARG 28 Ca 0.00 0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 57.35 3ifb n ARG 28 Cb 0.12 -1.73 0.27 0.00 -1.02 0.00 0.00 32.46 30.10 3ifb n ARG 28 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3ifb h LYS 29 N 0.06 0.64 0.61 5.56 1.57 -0.73 0.43 116.57 124.71 3ifb h LYS 29 Ca -0.40 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.23 3ifb h LYS 29 Cb 2.03 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 3ifb h LYS 29 CO 0.09 0.60 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.13 3ifb h LEU 30 N 0.62 -0.94 -0.74 2.94 3.38 -1.37 -2.95 115.31 116.25 3ifb h LEU 30 Ca 0.14 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.33 3ifb h LEU 30 Cb 0.27 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 3ifb h LEU 30 CO 0.00 -0.58 -0.06 0.00 0.09 0.00 0.00 178.44 177.88 3ifb h ALA 31 N -0.62 0.68 -0.88 1.53 0.00 -0.35 0.23 119.26 119.85 3ifb h ALA 31 Ca -0.07 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.19 3ifb h ALA 31 Cb 0.75 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3ifb h ALA 31 CO 0.08 -0.42 0.57 0.00 0.00 0.00 0.00 179.25 179.47 3ifb h ALA 32 N 1.72 1.66 -1.44 0.00 0.00 -0.18 -0.35 119.26 120.66 3ifb h ALA 32 Ca 0.39 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.66 3ifb h ALA 32 Cb 0.66 -0.20 -0.38 0.00 0.00 0.00 0.00 17.79 17.87 3ifb h ALA 32 CO -0.70 0.15 -0.29 0.72 0.00 0.00 0.00 179.25 179.13 3ifb n HIS 33 N -4.53 3.34 -0.00 0.00 8.25 0.58 -4.65 115.22 118.21 3ifb n HIS 33 Ca 0.15 -2.97 -0.03 0.00 -0.26 0.00 0.00 57.72 54.61 3ifb n HIS 33 Cb 0.32 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 3ifb n HIS 33 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ifb n ASP 34 N -0.48 0.37 0.00 0.41 8.00 0.07 -4.92 116.55 120.00 3ifb n ASP 34 Ca 0.42 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.98 3ifb n ASP 34 Cb 0.54 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3ifb n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ifb n ASN 35 N -3.20 0.00 -3.65 -2.24 5.03 -1.22 -3.47 115.26 106.51 3ifb n ASN 35 Ca -0.05 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.38 3ifb n ASN 35 Cb 0.45 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.14 3ifb n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3ifb s LEU 36 N 0.00 -0.03 0.26 3.41 1.98 -1.26 -4.69 118.68 118.35 3ifb s LEU 36 Ca 0.00 0.05 -0.21 0.00 -2.89 0.00 0.00 54.13 51.07 3ifb s LEU 36 Cb 0.00 1.05 0.04 0.00 0.66 0.00 0.00 46.19 47.94 3ifb s LEU 36 CO 0.00 -0.01 0.79 -0.75 -1.89 0.00 0.00 176.35 174.49 3ifb s LYS 37 N -0.09 1.68 -0.04 1.98 2.20 0.10 -0.37 119.74 125.19 3ifb s LYS 37 Ca 0.08 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3ifb s LYS 37 Cb -0.05 0.56 0.03 0.00 -1.51 0.00 0.00 37.83 36.86 3ifb s LYS 37 CO -0.16 -0.77 0.09 -1.17 -0.36 0.00 0.00 175.35 172.98 3ifb s LEU 38 N -2.95 0.96 -0.68 5.43 1.98 -0.64 0.20 118.68 122.98 3ifb s LEU 38 Ca 0.12 0.17 -0.17 0.00 -2.89 0.00 0.00 54.13 51.36 3ifb s LEU 38 Cb -0.05 0.17 0.14 0.00 0.66 0.00 0.00 46.19 47.11 3ifb s LEU 38 CO 0.06 -0.13 0.74 -0.89 -1.89 0.00 0.00 176.35 174.24 3ifb s THR 39 N 1.03 5.07 0.16 3.68 2.01 -0.88 0.41 115.64 127.11 3ifb s THR 39 Ca -0.08 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 3ifb s THR 39 Cb -0.11 -4.50 -0.07 0.00 0.01 0.00 0.00 72.50 67.83 3ifb s THR 39 CO -0.04 -1.11 1.04 -0.63 -0.69 0.00 0.00 174.62 173.19 3ifb s ILE 40 N 1.87 4.09 -0.43 1.82 -1.09 -0.59 -2.28 121.20 124.60 3ifb s ILE 40 Ca 0.14 1.80 0.02 0.00 -2.23 0.00 0.00 60.65 60.39 3ifb s ILE 40 Cb -0.19 -4.15 0.12 0.00 -1.58 0.00 0.00 42.46 36.66 3ifb s ILE 40 CO -0.00 0.31 0.20 -0.89 -1.23 0.00 0.00 174.94 173.33 3ifb s THR 41 N -0.23 1.66 0.55 2.92 2.01 -0.84 -2.45 115.64 119.26 3ifb s THR 41 Ca 0.48 -2.51 -0.19 0.00 0.31 0.00 0.00 61.69 59.78 3ifb s THR 41 Cb -0.27 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 3ifb s THR 41 CO 0.33 -0.81 1.11 -1.10 -0.69 0.00 0.00 174.62 173.46 3ifb s GLN 42 N 0.47 3.37 -0.40 4.92 -1.52 -1.26 -1.91 119.66 123.33 3ifb s GLN 42 Ca 0.16 1.52 0.08 0.00 -1.95 0.00 0.00 55.36 55.16 3ifb s GLN 42 Cb -0.23 -2.02 0.25 0.00 -0.22 0.00 0.00 33.01 30.79 3ifb s GLN 42 CO -0.04 -0.81 0.57 0.39 -0.25 0.00 0.00 175.29 175.14 3ifb n GLU 43 N -1.40 0.72 0.00 2.91 -0.58 0.16 -4.89 120.64 117.56 3ifb n GLU 43 Ca 0.11 -3.04 0.00 0.00 -0.42 0.00 0.00 57.16 53.81 3ifb n GLU 43 Cb 0.51 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3ifb n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifb n GLY 44 N 1.43 1.86 1.86 0.62 0.00 -1.26 -2.13 105.19 107.57 3ifb n GLY 44 Ca 0.20 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3ifb n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifb n ASN 45 N 10.13 5.64 -4.76 1.61 6.94 -1.26 -4.95 115.26 128.60 3ifb n ASN 45 Ca 0.00 -2.96 -0.27 0.00 -0.02 0.00 0.00 54.58 51.34 3ifb n ASN 45 Cb 0.00 -0.68 -0.06 0.00 -2.36 0.00 0.00 39.78 36.67 3ifb n ASN 45 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ifb s LYS 46 N -2.79 2.77 -0.30 -3.83 2.20 -0.91 -3.96 119.74 112.92 3ifb s LYS 46 Ca 0.54 -0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 3ifb s LYS 46 Cb 0.42 -2.58 0.10 0.00 -1.51 0.00 0.00 37.83 34.25 3ifb s LYS 46 CO 0.15 0.48 0.10 -0.06 -0.36 0.00 0.00 175.35 175.67 3ifb s PHE 47 N -1.71 1.60 -0.89 4.03 0.40 -0.95 -0.67 117.98 119.80 3ifb s PHE 47 Ca 0.30 -1.65 -0.25 0.00 -0.60 0.00 0.00 56.93 54.73 3ifb s PHE 47 Cb -0.10 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.81 3ifb s PHE 47 CO 0.22 -0.86 1.59 0.99 0.70 0.00 0.00 175.22 177.85 3ifb s THR 48 N 1.66 3.70 -0.55 0.64 2.01 -0.80 -1.28 115.64 121.01 3ifb s THR 48 Ca 0.09 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 3ifb s THR 48 Cb -0.17 -4.64 0.04 0.00 0.01 0.00 0.00 72.50 67.74 3ifb s THR 48 CO -0.25 -1.56 0.93 -0.69 -0.69 0.00 0.00 174.62 172.36 3ifb s VAL 49 N 6.89 4.41 -0.91 3.82 1.01 -0.93 -1.99 120.40 132.70 3ifb s VAL 49 Ca 0.52 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 3ifb s VAL 49 Cb -0.05 -4.53 0.24 0.00 0.00 0.00 0.00 36.38 32.04 3ifb s VAL 49 CO 0.01 -1.10 0.87 -0.75 0.00 0.00 0.00 175.10 174.12 3ifb s LYS 50 N 3.90 3.77 -0.36 2.72 2.20 -0.97 -0.01 119.74 131.00 3ifb s LYS 50 Ca 0.30 -2.69 -0.28 0.00 -0.36 0.00 0.00 55.97 52.94 3ifb s LYS 50 Cb -0.13 -4.46 -0.02 0.00 -1.51 0.00 0.00 37.83 31.71 3ifb s LYS 50 CO 0.19 -1.27 1.87 -1.21 -0.36 0.00 0.00 175.35 174.57 3ifb s GLU 51 N -0.27 3.18 0.42 4.03 2.02 0.22 -2.08 118.70 126.23 3ifb s GLU 51 Ca 0.22 1.39 -0.15 0.00 0.02 0.00 0.00 54.97 56.45 3ifb s GLU 51 Cb -0.10 -4.25 -0.08 0.00 0.10 0.00 0.00 34.13 29.79 3ifb s GLU 51 CO -0.09 -2.04 0.86 0.45 0.02 0.00 0.00 175.26 174.46 3ifb s SER 52 N 6.81 6.68 -0.03 -0.19 0.15 0.13 0.01 113.70 127.27 3ifb s SER 52 Ca 0.81 1.40 -0.29 0.00 0.70 0.00 0.00 55.95 58.57 3ifb s SER 52 Cb -0.22 -2.43 0.10 0.00 -1.71 0.00 0.00 66.02 61.76 3ifb s SER 52 CO 0.32 -0.41 0.85 -0.55 1.20 0.00 0.00 173.24 174.65 3ifb s SER 53 N -2.76 -0.43 0.56 5.45 0.15 -1.23 -0.72 113.70 114.71 3ifb s SER 53 Ca 0.56 0.18 0.32 0.00 0.70 0.00 0.00 55.95 57.71 3ifb s SER 53 Cb -0.10 0.41 1.47 0.00 -1.71 0.00 0.00 66.02 66.09 3ifb s SER 53 CO 0.25 -0.60 1.84 0.00 1.20 0.00 0.00 173.24 175.93 3ifb h ALA 54 N 2.26 2.73 0.01 5.45 0.00 -1.83 0.84 119.26 128.72 3ifb h ALA 54 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ifb h ALA 54 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ifb h ALA 54 CO 0.33 -1.12 -0.10 0.74 0.00 0.00 0.00 179.25 179.09 3ifb h PHE 55 N 0.00 -0.30 0.00 0.00 -1.00 -1.92 -3.48 116.94 110.24 3ifb h PHE 55 Ca 0.40 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.19 3ifb h PHE 55 Cb 1.77 0.13 0.00 0.00 3.61 0.00 0.00 35.95 41.46 3ifb h PHE 55 CO 0.00 -0.11 0.00 -2.13 -1.61 0.00 0.00 178.31 174.46 3ifb n ARG 56 N -3.06 0.00 -1.86 1.51 3.00 0.29 -4.84 116.66 111.70 3ifb n ARG 56 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.44 3ifb n ARG 56 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.55 3ifb n ARG 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3ifb s ASN 57 N 0.00 6.04 -0.20 6.15 2.20 -1.26 -3.53 114.94 124.34 3ifb s ASN 57 Ca 0.00 2.87 0.01 0.00 -0.94 0.00 0.00 52.86 54.80 3ifb s ASN 57 Cb 0.00 -2.65 0.04 0.00 -2.00 0.00 0.00 41.25 36.64 3ifb s ASN 57 CO 0.00 -1.06 -0.13 -0.63 -2.94 0.00 0.00 177.10 172.34 3ifb s ILE 58 N -1.21 1.83 -0.13 0.54 -1.09 0.10 -4.97 121.20 116.28 3ifb s ILE 58 Ca 0.59 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.74 3ifb s ILE 58 Cb -0.43 -1.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 3ifb s ILE 58 CO 0.55 0.27 0.62 -0.70 -1.23 0.00 0.00 174.94 174.45 3ifb s GLU 59 N 1.33 4.33 -0.40 2.79 2.12 -1.26 -0.61 118.70 126.99 3ifb s GLU 59 Ca -0.00 0.67 0.03 0.00 0.36 0.00 0.00 54.97 56.04 3ifb s GLU 59 Cb -0.16 -3.49 0.17 0.00 0.26 0.00 0.00 34.13 30.91 3ifb s GLU 59 CO -0.09 -0.03 0.33 0.08 -0.54 0.00 0.00 175.26 175.01 3ifb s VAL 60 N 1.18 0.26 0.16 3.70 1.01 0.98 -4.97 120.40 122.73 3ifb s VAL 60 Ca 0.31 -2.45 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 3ifb s VAL 60 Cb -0.16 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 3ifb s VAL 60 CO 0.13 -1.17 1.24 0.54 0.00 0.00 0.00 175.10 175.85 3ifb s VAL 61 N 0.25 3.52 0.45 2.92 0.11 -1.26 -2.19 120.40 124.19 3ifb s VAL 61 Ca 0.31 1.22 0.05 0.00 -2.93 0.00 0.00 61.98 60.63 3ifb s VAL 61 Cb -0.00 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.02 3ifb s VAL 61 CO -0.16 0.17 0.06 -0.36 -3.33 0.00 0.00 175.10 171.47 3ifb s PHE 62 N 0.27 2.29 0.00 1.54 0.08 -0.40 -4.93 117.98 116.83 3ifb s PHE 62 Ca 0.56 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.86 3ifb s PHE 62 Cb -0.33 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 3ifb s PHE 62 CO 0.35 0.29 0.00 -1.91 -0.10 0.00 0.00 175.22 173.86 3ifb n GLU 63 N -1.14 0.00 -2.24 0.44 2.13 -1.26 -2.24 120.64 116.33 3ifb n GLU 63 Ca -0.08 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.41 3ifb n GLU 63 Cb 0.66 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.33 3ifb n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ifb s LEU 64 N 0.00 3.29 -0.17 4.31 1.43 -1.25 -3.72 118.68 122.56 3ifb s LEU 64 Ca 0.00 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3ifb s LEU 64 Cb 0.00 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 3ifb s LEU 64 CO 0.00 -2.28 0.15 0.61 0.23 0.00 0.00 176.35 175.05 3ifb n GLY 65 N 6.77 0.54 3.55 -3.19 0.00 0.73 -4.97 105.19 108.63 3ifb n GLY 65 Ca 0.36 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3ifb n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 66 N -3.06 3.26 0.02 1.61 1.01 -1.07 -4.91 120.40 117.25 3ifb s VAL 66 Ca 0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 3ifb s VAL 66 Cb -0.01 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 3ifb s VAL 66 CO 0.11 0.20 0.27 -0.89 0.00 0.00 0.00 175.10 174.80 3ifb s THR 67 N -1.11 5.30 0.05 3.92 2.01 -1.26 -2.32 115.64 122.23 3ifb s THR 67 Ca 0.19 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 3ifb s THR 67 Cb -0.11 -3.57 0.08 0.00 0.01 0.00 0.00 72.50 68.91 3ifb s THR 67 CO 0.11 0.33 0.73 0.72 -0.69 0.00 0.00 174.62 175.82 3ifb s PHE 68 N -1.33 -0.49 0.33 4.92 -0.71 -0.58 -5.00 117.98 115.12 3ifb s PHE 68 Ca 0.29 0.45 0.08 0.00 -1.04 0.00 0.00 56.93 56.70 3ifb s PHE 68 Cb -0.13 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 3ifb s PHE 68 CO 0.17 -0.68 0.23 0.54 -1.34 0.00 0.00 175.22 174.14 3ifb s ASN 69 N -2.29 5.12 0.02 1.98 4.22 -1.26 -1.86 114.94 120.87 3ifb s ASN 69 Ca -0.00 -0.55 -0.13 0.00 -2.14 0.00 0.00 52.86 50.04 3ifb s ASN 69 Cb -0.01 -0.95 0.02 0.00 1.28 0.00 0.00 41.25 41.59 3ifb s ASN 69 CO -0.07 -0.29 0.28 -0.47 -2.04 0.00 0.00 177.10 174.51 3ifb s TYR 70 N -2.32 -0.10 -0.10 1.54 6.14 0.14 -4.96 117.35 117.68 3ifb s TYR 70 Ca 0.39 0.05 -0.06 0.00 0.64 0.00 0.00 57.07 58.09 3ifb s TYR 70 Cb -0.05 0.07 0.04 0.00 0.42 0.00 0.00 41.96 42.44 3ifb s TYR 70 CO 0.25 -0.44 0.24 1.21 0.64 0.00 0.00 175.55 177.46 3ifb s ASN 71 N -1.73 -0.26 0.56 4.32 3.84 -1.26 -0.73 114.94 119.68 3ifb s ASN 71 Ca -0.09 0.51 -0.15 0.00 0.21 0.00 0.00 52.86 53.34 3ifb s ASN 71 Cb -0.03 0.41 -0.06 0.00 -0.55 0.00 0.00 41.25 41.02 3ifb s ASN 71 CO -0.00 -0.15 1.01 -0.76 -2.79 0.00 0.00 177.10 174.41 3ifb s LEU 72 N 1.08 3.50 0.37 3.21 1.43 -0.73 -4.92 118.68 122.62 3ifb s LEU 72 Ca -0.08 1.59 0.15 0.00 -1.03 0.00 0.00 54.13 54.76 3ifb s LEU 72 Cb -0.09 -4.50 0.72 0.00 0.03 0.00 0.00 46.19 42.35 3ifb s LEU 72 CO -0.07 -0.79 1.80 0.00 0.23 0.00 0.00 176.35 177.52 3ifb h ALA 73 N 0.50 1.24 -0.25 4.21 0.00 -1.90 -2.86 119.26 120.19 3ifb h ALA 73 Ca -0.46 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.13 3ifb h ALA 73 Cb 1.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3ifb h ALA 73 CO 0.61 0.49 0.03 0.22 0.00 0.00 0.00 179.25 180.59 3ifb h ASP 74 N 0.00 -0.04 0.00 0.00 1.82 -1.94 -3.46 116.42 112.81 3ifb h ASP 74 Ca -0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3ifb h ASP 74 Cb 0.74 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.82 3ifb h ASP 74 CO 0.05 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.30 3ifb n GLY 75 N -1.20 -0.05 3.20 -0.78 0.00 -1.08 -5.18 105.19 100.10 3ifb n GLY 75 Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 3ifb n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ifb s THR 76 N 0.00 0.53 0.22 2.61 -1.32 -1.23 -4.96 115.64 111.49 3ifb s THR 76 Ca 0.00 -1.95 0.10 0.00 -1.21 0.00 0.00 61.69 58.63 3ifb s THR 76 Cb 0.00 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.94 3ifb s THR 76 CO 0.00 -0.56 -0.11 -1.61 -2.21 0.00 0.00 174.62 170.13 3ifb s GLU 77 N -3.93 1.98 -0.17 7.08 2.02 -1.26 -1.77 118.70 122.65 3ifb s GLU 77 Ca 0.21 -1.41 -0.28 0.00 0.02 0.00 0.00 54.97 53.51 3ifb s GLU 77 Cb 0.06 -2.06 0.09 0.00 0.10 0.00 0.00 34.13 32.32 3ifb s GLU 77 CO 0.01 0.40 0.80 -1.17 0.02 0.00 0.00 175.26 175.33 3ifb s LEU 78 N -3.09 -0.60 -0.16 1.80 2.96 0.09 -4.44 118.68 115.24 3ifb s LEU 78 Ca 0.26 0.90 -0.24 0.00 -0.22 0.00 0.00 54.13 54.83 3ifb s LEU 78 Cb -0.08 2.30 0.06 0.00 0.50 0.00 0.00 46.19 48.97 3ifb s LEU 78 CO 0.15 -0.39 0.62 -0.60 -1.32 0.00 0.00 176.35 174.82 3ifb s ARG 79 N -0.51 0.84 0.00 1.98 3.52 0.15 0.26 118.95 125.19 3ifb s ARG 79 Ca -0.04 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 3ifb s ARG 79 Cb -0.02 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 3ifb s ARG 79 CO 0.03 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 3ifb n GLY 80 N 2.04 2.56 3.29 8.12 0.00 -0.78 0.30 105.19 120.72 3ifb n GLY 80 Ca -0.16 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 3ifb n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifb s THR 81 N -2.83 1.64 0.03 2.61 -4.23 -0.84 -1.52 115.64 110.49 3ifb s THR 81 Ca 0.00 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 3ifb s THR 81 Cb 0.00 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 3ifb s THR 81 CO 0.00 -0.24 -0.12 0.26 -0.54 0.00 0.00 174.62 173.98 3ifb s TRP 82 N -1.70 1.07 0.24 3.99 0.52 -0.98 -1.57 118.94 120.52 3ifb s TRP 82 Ca 0.10 -0.33 -0.22 0.00 0.02 0.00 0.00 56.10 55.67 3ifb s TRP 82 Cb -0.07 -0.64 0.04 0.00 -1.15 0.00 0.00 33.47 31.64 3ifb s TRP 82 CO 0.05 0.01 0.81 0.45 0.02 0.00 0.00 176.95 178.29 3ifb s SER 83 N -0.99 -0.20 0.43 2.95 0.15 -0.26 -0.19 113.70 115.59 3ifb s SER 83 Ca 0.01 -0.59 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 3ifb s SER 83 Cb -0.07 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 3ifb s SER 83 CO 0.01 -1.22 0.79 -0.76 1.20 0.00 0.00 173.24 173.26 3ifb s LEU 84 N -2.96 3.75 0.17 3.45 1.43 -1.26 -0.63 118.68 122.63 3ifb s LEU 84 Ca 0.12 1.11 -0.23 0.00 -1.03 0.00 0.00 54.13 54.10 3ifb s LEU 84 Cb -0.04 -4.02 0.06 0.00 0.03 0.00 0.00 46.19 42.22 3ifb s LEU 84 CO 0.06 -0.47 0.65 -1.83 0.23 0.00 0.00 176.35 174.99 3ifb s GLU 85 N -4.12 1.32 0.00 1.70 -1.05 -0.22 -4.77 118.70 111.57 3ifb s GLU 85 Ca 0.51 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 3ifb s GLU 85 Cb -0.10 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3ifb s GLU 85 CO 0.35 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.39 3ifb n GLY 86 N -0.38 0.31 2.56 -3.83 0.00 -1.26 -0.66 105.19 101.92 3ifb n GLY 86 Ca -0.14 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3ifb n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ifb n ASN 87 N 0.83 2.93 -3.27 1.61 2.85 -1.26 -5.09 115.26 113.87 3ifb n ASN 87 Ca 0.00 -3.11 -0.07 0.00 -0.11 0.00 0.00 54.58 51.29 3ifb n ASN 87 Cb 0.00 -0.49 0.01 0.00 1.24 0.00 0.00 39.78 40.54 3ifb n ASN 87 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 3ifb s LYS 88 N -3.37 1.90 -0.01 1.20 0.00 0.16 -4.96 119.74 114.67 3ifb s LYS 88 Ca 0.37 -1.18 -0.16 0.00 0.00 0.00 0.00 55.97 55.00 3ifb s LYS 88 Cb 0.42 0.56 -0.06 0.00 0.00 0.00 0.00 37.83 38.76 3ifb s LYS 88 CO -0.05 -0.88 0.44 -0.51 0.00 0.00 0.00 175.35 174.34 3ifb s LEU 89 N -3.08 4.45 -0.16 2.77 1.43 0.67 -1.06 118.68 123.69 3ifb s LEU 89 Ca 0.15 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 3ifb s LEU 89 Cb -0.05 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3ifb s LEU 89 CO 0.09 0.27 0.21 -0.51 0.23 0.00 0.00 176.35 176.63 3ifb s ILE 90 N -0.81 5.36 0.09 -0.59 2.07 0.20 -2.85 121.20 124.67 3ifb s ILE 90 Ca 0.25 0.37 0.02 0.00 -1.41 0.00 0.00 60.65 59.87 3ifb s ILE 90 Cb -0.17 -3.54 -0.04 0.00 0.13 0.00 0.00 42.46 38.85 3ifb s ILE 90 CO 0.13 0.45 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.72 3ifb s GLY 91 N 0.13 0.72 -0.36 1.50 0.00 0.91 -1.10 107.32 109.12 3ifb s GLY 91 Ca 0.13 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.61 3ifb s GLY 91 CO 0.02 -1.36 0.36 1.25 0.00 0.00 0.00 173.10 173.37 3ifb s LYS 92 N -3.52 0.60 0.61 2.90 2.36 -0.61 -1.16 119.74 120.92 3ifb s LYS 92 Ca 0.09 -0.82 -0.08 0.00 -2.55 0.00 0.00 55.97 52.61 3ifb s LYS 92 Cb 0.03 -0.75 -0.00 0.00 -1.05 0.00 0.00 37.83 36.06 3ifb s LYS 92 CO -0.04 -1.18 0.95 -0.06 1.55 0.00 0.00 175.35 176.56 3ifb s PHE 93 N 1.50 3.35 -0.09 4.03 0.08 0.36 -1.99 117.98 125.22 3ifb s PHE 93 Ca 0.16 0.82 -0.13 0.00 0.12 0.00 0.00 56.93 57.90 3ifb s PHE 93 Cb -0.16 -2.76 0.03 0.00 -0.57 0.00 0.00 43.02 39.56 3ifb s PHE 93 CO -0.06 -0.83 0.34 0.21 -0.10 0.00 0.00 175.22 174.79 3ifb s LYS 94 N -5.07 0.50 0.72 0.44 2.20 0.15 -0.95 119.74 117.74 3ifb s LYS 94 Ca 0.54 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 56.30 3ifb s LYS 94 Cb -0.11 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.48 3ifb s LYS 94 CO 0.47 -0.10 1.09 0.50 -0.36 0.00 0.00 175.35 176.96 3ifb s ARG 95 N -0.32 2.52 -0.15 4.03 6.06 0.53 -0.67 118.95 130.95 3ifb s ARG 95 Ca -0.05 1.24 0.17 0.00 -2.50 0.00 0.00 55.73 54.59 3ifb s ARG 95 Cb -0.03 -1.93 0.36 0.00 0.06 0.00 0.00 34.95 33.41 3ifb s ARG 95 CO 0.02 -1.44 1.23 -2.37 -2.50 0.00 0.00 175.30 170.23 3ifb n THR 96 N -3.06 2.03 0.02 4.11 5.66 -1.26 -4.26 114.28 117.52 3ifb n THR 96 Ca 0.09 -2.29 0.00 0.00 -3.05 0.00 0.00 64.05 58.80 3ifb n THR 96 Cb 0.53 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 3ifb n THR 96 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3ifb n ASP 97 N -1.21 0.18 -0.08 1.09 2.03 -1.26 -4.87 116.55 112.43 3ifb n ASP 97 Ca 0.18 0.07 -0.12 0.00 0.52 0.00 0.00 54.79 55.44 3ifb n ASP 97 Cb 0.71 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 41.03 3ifb n ASP 97 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3ifb h ASN 98 N 0.00 -1.49 0.00 1.67 2.35 -1.97 -3.47 115.58 112.67 3ifb h ASN 98 Ca 0.00 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3ifb h ASN 98 Cb 0.00 0.62 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3ifb h ASN 98 CO 0.00 -0.40 0.00 0.61 -1.65 0.00 0.00 177.43 175.99 3ifb n GLY 99 N -1.42 1.15 3.48 2.83 0.00 -1.26 -5.10 105.19 104.87 3ifb n GLY 99 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3ifb n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifb n ASN 100 N 0.00 3.12 -4.30 1.61 6.94 -1.26 -4.92 115.26 116.44 3ifb n ASN 100 Ca 0.00 -3.00 -0.17 0.00 -0.02 0.00 0.00 54.58 51.38 3ifb n ASN 100 Cb 0.00 0.22 -0.10 0.00 -2.36 0.00 0.00 39.78 37.53 3ifb n ASN 100 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3ifb s GLU 101 N -3.85 1.21 0.05 -3.83 2.12 -1.26 -0.34 118.70 112.79 3ifb s GLU 101 Ca 0.09 -1.48 -0.21 0.00 0.36 0.00 0.00 54.97 53.73 3ifb s GLU 101 Cb -0.01 -0.97 0.05 0.00 0.26 0.00 0.00 34.13 33.46 3ifb s GLU 101 CO 0.06 0.16 0.48 -1.17 -0.54 0.00 0.00 175.26 174.25 3ifb s LEU 102 N -3.09 0.08 -0.35 2.70 0.20 -0.12 -2.74 118.68 115.36 3ifb s LEU 102 Ca 0.18 0.08 0.01 0.00 0.69 0.00 0.00 54.13 55.10 3ifb s LEU 102 Cb -0.01 2.01 0.11 0.00 -0.43 0.00 0.00 46.19 47.86 3ifb s LEU 102 CO 0.05 -0.72 0.11 0.20 -0.29 0.00 0.00 176.35 175.70 3ifb s ASN 103 N -2.06 4.21 0.35 3.68 0.01 -0.87 -0.48 114.94 119.78 3ifb s ASN 103 Ca -0.05 -1.99 -0.19 0.00 -0.71 0.00 0.00 52.86 49.92 3ifb s ASN 103 Cb -0.01 -1.15 -0.10 0.00 0.41 0.00 0.00 41.25 40.41 3ifb s ASN 103 CO -0.03 -0.38 0.84 0.42 -1.51 0.00 0.00 177.10 176.45 3ifb s THR 104 N 1.14 4.49 0.04 1.60 -4.23 -0.31 -1.78 115.64 116.59 3ifb s THR 104 Ca 0.12 1.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.88 3ifb s THR 104 Cb -0.19 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 3ifb s THR 104 CO -0.15 -0.14 0.10 -0.69 -0.54 0.00 0.00 174.62 173.19 3ifb s VAL 105 N -1.94 0.13 -0.02 2.29 1.01 -0.07 -0.06 120.40 121.74 3ifb s VAL 105 Ca 0.55 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3ifb s VAL 105 Cb -0.12 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.48 3ifb s VAL 105 CO 0.17 -0.60 0.89 0.00 0.00 0.00 0.00 175.10 175.56 3ifb s ARG 106 N -2.60 0.81 0.00 2.72 1.70 -1.13 -1.40 118.95 119.04 3ifb s ARG 106 Ca -0.05 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 3ifb s ARG 106 Cb -0.01 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3ifb s ARG 106 CO -0.05 -0.34 0.00 -1.91 -1.08 0.00 0.00 175.30 171.92 3ifb n GLU 107 N -0.14 0.00 -2.31 3.89 4.07 -1.05 -0.24 120.64 124.86 3ifb n GLU 107 Ca -0.09 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.65 3ifb n GLU 107 Cb 0.61 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.99 3ifb n GLU 107 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3ifb s ILE 108 N 0.00 3.24 0.07 6.31 -4.36 -1.26 -2.44 121.20 122.77 3ifb s ILE 108 Ca 0.00 0.84 0.07 0.00 -0.26 0.00 0.00 60.65 61.29 3ifb s ILE 108 Cb 0.00 -3.37 -0.03 0.00 1.25 0.00 0.00 42.46 40.31 3ifb s ILE 108 CO 0.00 -0.11 -0.18 -0.63 0.24 0.00 0.00 174.94 174.26 3ifb s ILE 109 N -1.71 1.44 0.00 8.37 1.01 0.30 -4.86 121.20 125.75 3ifb s ILE 109 Ca 0.68 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3ifb s ILE 109 Cb -0.25 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3ifb s ILE 109 CO 0.29 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3ifb n GLY 110 N 1.41 0.23 2.68 6.18 0.00 -1.26 0.86 105.19 115.29 3ifb n GLY 110 Ca -0.19 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ifb n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ifb n ASP 111 N 1.07 -1.13 -3.68 1.61 8.00 -1.26 -5.04 116.55 116.12 3ifb n ASP 111 Ca 0.00 -2.64 -0.12 0.00 0.71 0.00 0.00 54.79 52.74 3ifb n ASP 111 Cb 0.00 0.71 -0.09 0.00 -0.02 0.00 0.00 41.12 41.72 3ifb n ASP 111 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ifb s GLU 112 N -0.61 0.60 -0.50 -1.24 2.12 0.25 -4.19 118.70 115.14 3ifb s GLU 112 Ca 0.24 0.83 -0.19 0.00 0.36 0.00 0.00 54.97 56.20 3ifb s GLU 112 Cb 0.40 0.23 0.06 0.00 0.26 0.00 0.00 34.13 35.08 3ifb s GLU 112 CO -0.06 -0.10 0.60 -1.17 -0.54 0.00 0.00 175.26 173.99 3ifb s LEU 113 N 0.67 5.01 0.53 2.70 0.20 0.19 0.11 118.68 128.08 3ifb s LEU 113 Ca -0.03 -0.92 -0.18 0.00 0.69 0.00 0.00 54.13 53.69 3ifb s LEU 113 Cb -0.05 -2.43 -0.07 0.00 -0.43 0.00 0.00 46.19 43.21 3ifb s LEU 113 CO -0.04 -0.86 1.02 0.54 -0.29 0.00 0.00 176.35 176.72 3ifb s VAL 114 N 2.53 4.07 0.01 1.68 0.11 -1.02 -2.03 120.40 125.74 3ifb s VAL 114 Ca 0.14 1.10 -0.02 0.00 -2.93 0.00 0.00 61.98 60.27 3ifb s VAL 114 Cb -0.19 -3.52 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 3ifb s VAL 114 CO 0.12 -0.47 0.03 -1.58 -3.33 0.00 0.00 175.10 169.87 3ifb s GLN 115 N -3.75 0.27 -0.18 1.54 0.74 0.09 -2.53 119.66 115.83 3ifb s GLN 115 Ca 0.63 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.63 3ifb s GLN 115 Cb -0.14 0.10 0.08 0.00 1.10 0.00 0.00 33.01 34.16 3ifb s GLN 115 CO 0.28 -0.05 0.20 -0.08 -0.55 0.00 0.00 175.29 175.10 3ifb s THR 116 N -1.01 -0.30 0.00 -0.34 -1.32 -0.50 -1.40 115.64 110.78 3ifb s THR 116 Ca -0.11 -0.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.37 3ifb s THR 116 Cb -0.07 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.29 3ifb s THR 116 CO -0.00 -0.14 -0.05 -0.31 -2.21 0.00 0.00 174.62 171.90 3ifb s TYR 117 N 2.31 2.93 -0.33 9.09 1.51 -0.80 -0.89 117.35 131.17 3ifb s TYR 117 Ca 0.06 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 3ifb s TYR 117 Cb -0.15 -1.62 0.10 0.00 -0.11 0.00 0.00 41.96 40.18 3ifb s TYR 117 CO -0.11 0.39 0.09 0.08 -1.11 0.00 0.00 175.55 174.89 3ifb s VAL 118 N -1.01 1.48 -0.54 0.71 1.01 -0.73 -0.55 120.40 120.77 3ifb s VAL 118 Ca 0.18 -1.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.08 3ifb s VAL 118 Cb -0.11 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.21 3ifb s VAL 118 CO 0.08 -0.66 0.83 -0.47 0.00 0.00 0.00 175.10 174.88 3ifb s TYR 119 N 1.25 2.88 0.00 5.22 5.04 -0.09 -2.05 117.35 129.61 3ifb s TYR 119 Ca 0.11 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 3ifb s TYR 119 Cb -0.18 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.24 3ifb s TYR 119 CO -0.17 -1.24 0.00 0.39 -1.34 0.00 0.00 175.55 173.19 3ifb n GLU 120 N 7.00 -1.07 0.00 4.97 -0.58 -1.11 -1.25 120.64 128.60 3ifb n GLU 120 Ca -0.01 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3ifb n GLU 120 Cb 0.47 -3.11 0.00 0.00 -0.57 0.00 0.00 31.44 28.23 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifb n GLY 121 N 0.09 0.38 3.56 0.62 0.00 -1.26 -5.09 105.19 103.48 3ifb n GLY 121 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3ifb n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 122 N 0.00 4.07 -0.36 1.61 1.01 -0.38 -5.07 120.40 121.28 3ifb s VAL 122 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 3ifb s VAL 122 Cb 0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3ifb s VAL 122 CO 0.00 0.52 0.45 -0.70 0.00 0.00 0.00 175.10 175.37 3ifb s GLU 123 N 0.02 3.50 0.50 2.72 2.12 -1.26 -0.91 118.70 125.39 3ifb s GLU 123 Ca 0.01 -0.36 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 3ifb s GLU 123 Cb -0.13 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 3ifb s GLU 123 CO 0.02 -0.65 0.80 0.00 -0.54 0.00 0.00 175.26 174.90 3ifb s ALA 124 N 2.23 3.39 -0.14 6.30 0.00 0.29 -4.65 121.76 129.18 3ifb s ALA 124 Ca 0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 3ifb s ALA 124 Cb -0.16 -2.59 0.07 0.00 0.00 0.00 0.00 23.12 20.43 3ifb s ALA 124 CO 0.13 -0.41 0.30 0.21 0.00 0.00 0.00 175.76 175.99 3ifb s LYS 125 N -4.78 0.20 0.09 0.00 2.20 -1.14 -1.90 119.74 114.41 3ifb s LYS 125 Ca 0.48 0.78 0.07 0.00 -0.36 0.00 0.00 55.97 56.94 3ifb s LYS 125 Cb -0.10 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 3ifb s LYS 125 CO 0.45 -0.26 -0.13 1.03 -0.36 0.00 0.00 175.35 176.09 3ifb s ARG 126 N 2.26 2.09 -0.05 4.03 3.00 -0.49 -1.78 118.95 128.01 3ifb s ARG 126 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 55.73 54.71 3ifb s ARG 126 Cb -0.12 -2.27 0.02 0.00 0.00 0.00 0.00 34.95 32.59 3ifb s ARG 126 CO -0.10 0.52 -0.06 0.42 0.00 0.00 0.00 175.30 176.08 3ifb s ILE 127 N -1.14 0.68 -0.04 1.52 1.09 -0.91 -0.74 121.20 121.67 3ifb s ILE 127 Ca 0.19 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.56 3ifb s ILE 127 Cb -0.11 -0.67 -0.00 0.00 -1.06 0.00 0.00 42.46 40.62 3ifb s ILE 127 CO 0.11 0.25 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.71 3ifb s PHE 128 N 0.81 1.36 0.29 3.97 0.40 -0.86 -1.71 117.98 122.24 3ifb s PHE 128 Ca -0.12 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 3ifb s PHE 128 Cb -0.15 -0.94 -0.06 0.00 0.51 0.00 0.00 43.02 42.39 3ifb s PHE 128 CO 0.01 -0.14 -0.10 0.15 0.70 0.00 0.00 175.22 175.84 3ifb s LYS 129 N 0.12 1.61 -0.92 0.44 3.01 -0.32 0.56 119.74 124.25 3ifb s LYS 129 Ca -0.04 -1.79 -0.16 0.00 -1.01 0.00 0.00 55.97 52.97 3ifb s LYS 129 Cb -0.10 -1.39 -0.27 0.00 -1.01 0.00 0.00 37.83 35.06 3ifb s LYS 129 CO 0.01 0.13 2.15 1.63 0.51 0.00 0.00 175.35 179.79 3ifb n LYS 130 N -0.61 0.00 -0.41 1.68 4.01 -1.26 0.37 118.16 121.94 3ifb n LYS 130 Ca -0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 3ifb n LYS 130 Cb 0.62 -1.08 0.00 0.00 -0.51 0.00 0.00 35.03 34.06 3ifb n LYS 130 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89