#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifb s PHE 2 N 0.00 2.94 -0.29 0.00 0.08 -1.26 -4.96 117.98 114.49 3ifb s PHE 2 Ca 0.00 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 58.45 3ifb s PHE 2 Cb 0.00 -3.09 0.11 0.00 -0.57 0.00 0.00 43.02 39.47 3ifb s PHE 2 CO 0.00 -1.00 0.81 0.16 -0.10 0.00 0.00 175.22 175.09 3ifb s ASP 3 N -2.11 -0.77 0.02 1.36 -4.77 -1.26 -3.56 116.67 105.57 3ifb s ASP 3 Ca 0.67 1.22 -0.29 0.00 -3.30 0.00 0.00 52.55 50.85 3ifb s ASP 3 Cb -0.17 1.38 0.10 0.00 -1.09 0.00 0.00 42.92 43.13 3ifb s ASP 3 CO 0.24 -0.19 0.99 -0.44 0.70 0.00 0.00 175.17 176.47 3ifb s SER 4 N 1.62 -0.25 -1.02 2.11 0.01 -0.90 -5.01 113.70 110.26 3ifb s SER 4 Ca -0.09 -0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 3ifb s SER 4 Cb -0.05 0.36 0.29 0.00 0.21 0.00 0.00 66.02 66.84 3ifb s SER 4 CO -0.18 -0.62 1.32 0.41 0.41 0.00 0.00 173.24 174.58 3ifb n THR 5 N -0.31 4.78 -0.67 1.44 -1.04 -1.26 -1.12 114.28 116.09 3ifb n THR 5 Ca -0.07 -5.75 -0.29 0.00 -2.04 0.00 0.00 64.05 55.90 3ifb n THR 5 Cb 0.61 -2.15 0.22 0.00 -1.82 0.00 0.00 70.33 67.19 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 -2.53 1.53 -0.22 -1.42 0.52 0.66 -2.37 118.94 115.12 3ifb s TRP 6 Ca 0.32 1.31 -0.27 0.00 0.02 0.00 0.00 56.10 57.48 3ifb s TRP 6 Cb 0.04 -3.16 0.08 0.00 -1.15 0.00 0.00 33.47 29.27 3ifb s TRP 6 CO 0.06 -3.47 0.76 0.21 0.02 0.00 0.00 176.95 174.53 3ifb s LYS 7 N -4.57 0.84 -0.07 4.98 2.36 0.14 -2.00 119.74 121.43 3ifb s LYS 7 Ca 0.67 0.75 -0.30 0.00 -2.55 0.00 0.00 55.97 54.54 3ifb s LYS 7 Cb -0.23 0.41 -0.03 0.00 -1.05 0.00 0.00 37.83 36.93 3ifb s LYS 7 CO 0.62 -0.15 1.13 0.54 1.55 0.00 0.00 175.35 179.04 3ifb s VAL 8 N -0.06 4.44 -0.20 4.02 0.11 -0.93 -0.19 120.40 127.59 3ifb s VAL 8 Ca -0.02 1.75 -0.15 0.00 -2.93 0.00 0.00 61.98 60.63 3ifb s VAL 8 Cb -0.04 -4.12 -0.20 0.00 -1.53 0.00 0.00 36.38 30.49 3ifb s VAL 8 CO 0.02 0.01 0.15 -0.67 -3.33 0.00 0.00 175.10 171.28 3ifb n ASP 9 N 5.07 1.96 -4.18 3.54 -0.08 -1.06 -4.93 116.55 116.87 3ifb n ASP 9 Ca 0.10 0.31 -0.19 0.00 -1.51 0.00 0.00 54.79 53.50 3ifb n ASP 9 Cb 0.47 -0.88 -0.12 0.00 2.34 0.00 0.00 41.12 42.93 3ifb n ASP 9 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3ifb s ARG 10 N -2.45 0.86 -0.02 -0.67 1.81 -1.13 -5.03 118.95 112.33 3ifb s ARG 10 Ca -0.29 -0.96 -0.01 0.00 -1.72 0.00 0.00 55.73 52.76 3ifb s ARG 10 Cb 0.08 -0.90 0.02 0.00 -0.45 0.00 0.00 34.95 33.70 3ifb s ARG 10 CO 0.63 0.20 0.04 -1.12 -0.68 0.00 0.00 175.30 174.38 3ifb s SER 11 N -1.70 0.00 -0.09 0.23 0.01 -1.26 -1.58 113.70 109.31 3ifb s SER 11 Ca -0.01 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.34 3ifb s SER 11 Cb -0.10 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 3ifb s SER 11 CO 0.02 -0.08 -0.11 -1.61 0.41 0.00 0.00 173.24 171.87 3ifb s GLU 12 N 0.62 3.01 -1.35 12.44 0.41 0.15 -4.52 118.70 129.46 3ifb s GLU 12 Ca -0.05 -0.65 -0.03 0.00 -0.41 0.00 0.00 54.97 53.84 3ifb s GLU 12 Cb -0.07 -2.57 0.02 0.00 -1.78 0.00 0.00 34.13 29.73 3ifb s GLU 12 CO -0.02 0.43 0.76 0.09 -0.49 0.00 0.00 175.26 176.03 3ifb n ASN 13 N 2.89 -1.90 -0.10 -0.19 4.13 -1.26 -2.56 115.26 116.27 3ifb n ASN 13 Ca -0.18 -0.81 -0.14 0.00 1.68 0.00 0.00 54.58 55.13 3ifb n ASN 13 Cb 0.53 -4.04 -0.05 0.00 -1.54 0.00 0.00 39.78 34.67 3ifb n ASN 13 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3ifb n TYR 14 N -4.36 0.33 -0.15 3.10 4.02 -1.26 -2.06 117.16 116.78 3ifb n TYR 14 Ca -0.23 0.14 -0.04 0.00 -0.01 0.00 0.00 57.90 57.76 3ifb n TYR 14 Cb 0.65 -0.75 0.03 0.00 -0.02 0.00 0.00 39.34 39.25 3ifb n TYR 14 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3ifb h ASP 15 N -1.00 -0.57 0.57 7.72 5.19 -1.92 0.21 116.42 126.62 3ifb h ASP 15 Ca -0.21 0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 3ifb h ASP 15 Cb 1.07 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.92 3ifb h ASP 15 CO -0.13 -0.20 -0.29 0.11 -3.12 0.00 0.00 179.24 175.62 3ifb h LYS 16 N -0.05 -0.76 -0.47 3.56 1.57 -1.97 0.14 116.57 118.59 3ifb h LYS 16 Ca 0.23 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 3ifb h LYS 16 Cb 0.40 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 3ifb h LYS 16 CO -0.51 -0.51 0.23 0.35 -0.57 0.00 0.00 179.45 178.44 3ifb h PHE 17 N -0.79 0.43 0.12 -1.35 3.57 -0.82 0.13 116.94 118.22 3ifb h PHE 17 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3ifb h PHE 17 Cb 0.62 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3ifb h PHE 17 CO -0.05 0.21 -0.11 0.52 -2.23 0.00 0.00 178.31 176.65 3ifb h MET 18 N 0.46 -0.25 -1.08 1.11 2.86 -0.60 0.20 114.93 117.64 3ifb h MET 18 Ca 0.20 0.02 0.33 0.00 -2.06 0.00 0.00 59.70 58.19 3ifb h MET 18 Cb 0.12 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 31.70 3ifb h MET 18 CO -0.15 -0.16 0.66 1.05 1.06 0.00 0.00 176.91 179.37 3ifb h GLU 19 N -0.26 0.31 0.00 1.72 4.11 0.18 0.15 114.58 120.78 3ifb h GLU 19 Ca 0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.20 3ifb h GLU 19 Cb 0.25 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3ifb h GLU 19 CO -0.03 0.20 -1.22 0.87 0.07 0.00 0.00 179.01 178.90 3ifb h LYS 20 N 0.31 0.00 0.04 1.06 1.57 0.03 -3.31 116.57 116.28 3ifb h LYS 20 Ca 0.71 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.51 3ifb h LYS 20 Cb 1.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.07 3ifb h LYS 20 CO -0.47 0.65 -0.18 0.52 -0.57 0.00 0.00 179.45 179.39 3ifb h MET 21 N 0.00 -0.31 0.00 3.15 2.86 0.22 -3.46 114.93 117.39 3ifb h MET 21 Ca -0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3ifb h MET 21 Cb 1.76 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.49 3ifb h MET 21 CO 0.09 -0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.27 3ifb n GLY 22 N -1.31 0.00 3.00 8.32 0.00 -0.63 -5.10 105.19 109.47 3ifb n GLY 22 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 1.99 0.84 1.61 1.01 -1.16 -5.05 120.40 119.64 3ifb s VAL 23 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.04 3ifb s VAL 23 Cb 0.00 -2.30 0.10 0.00 0.00 0.00 0.00 36.38 34.18 3ifb s VAL 23 CO 0.00 -0.32 1.19 0.54 0.00 0.00 0.00 175.10 176.51 3ifb s ASN 24 N 1.12 4.23 0.10 3.32 6.03 -1.26 -4.20 114.94 124.27 3ifb s ASN 24 Ca 0.01 0.76 -0.04 0.00 -1.03 0.00 0.00 52.86 52.56 3ifb s ASN 24 Cb -0.19 -1.22 0.15 0.00 -3.03 0.00 0.00 41.25 36.95 3ifb s ASN 24 CO -0.08 -2.08 0.57 0.00 -2.03 0.00 0.00 177.10 173.48 3ifb n ILE 25 N -3.43 -0.16 0.04 0.54 0.13 -1.26 0.17 119.36 115.40 3ifb n ILE 25 Ca 0.08 0.84 -0.09 0.00 -1.10 0.00 0.00 62.75 62.48 3ifb n ILE 25 Cb 0.61 -1.14 -0.13 0.00 -0.84 0.00 0.00 39.64 38.13 3ifb n ILE 25 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 3ifb h VAL 26 N 0.00 1.42 0.00 9.51 2.07 -1.99 -2.04 116.25 125.22 3ifb h VAL 26 Ca 0.16 -3.15 -0.00 0.00 0.82 0.00 0.00 66.70 64.53 3ifb h VAL 26 Cb 0.25 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3ifb h VAL 26 CO -0.37 0.84 -0.01 0.50 0.02 0.00 0.00 177.57 178.54 3ifb h LYS 27 N 0.01 0.00 0.20 1.57 1.63 0.15 -1.81 116.57 118.33 3ifb h LYS 27 Ca -0.11 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.36 3ifb h LYS 27 Cb 1.87 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.52 3ifb h LYS 27 CO 0.13 0.01 -1.54 0.00 -3.45 0.00 0.00 179.45 174.60 3ifb h ARG 28 N 0.00 0.43 -1.02 1.90 3.08 -0.82 0.07 114.38 118.02 3ifb h ARG 28 Ca -0.00 -0.73 0.26 0.00 0.07 0.00 0.00 59.98 59.57 3ifb h ARG 28 Cb 0.33 0.27 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 3ifb h ARG 28 CO 0.00 1.35 0.61 0.87 -1.07 0.00 0.00 179.97 181.73 3ifb h LYS 29 N 0.04 0.51 0.09 0.04 6.56 -0.59 0.45 116.57 123.66 3ifb h LYS 29 Ca -0.29 -0.03 -0.29 0.00 -1.06 0.00 0.00 60.65 58.98 3ifb h LYS 29 Cb 2.05 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 33.58 3ifb h LYS 29 CO 0.20 0.33 -1.48 1.25 -2.06 0.00 0.00 179.45 177.70 3ifb h LEU 30 N 0.52 0.28 -1.37 2.94 5.85 -1.52 -3.29 115.31 118.72 3ifb h LEU 30 Ca 0.65 -0.40 0.13 0.00 0.84 0.00 0.00 57.88 59.10 3ifb h LEU 30 Cb 1.33 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3ifb h LEU 30 CO -0.45 1.33 0.54 0.00 -0.34 0.00 0.00 178.44 179.52 3ifb h ALA 31 N 0.63 1.87 0.00 1.25 0.00 0.17 0.31 119.26 123.49 3ifb h ALA 31 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ifb h ALA 31 Cb 1.98 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3ifb h ALA 31 CO 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3ifb n ALA 32 N -2.46 1.31 -2.03 0.00 0.00 0.12 -0.12 120.51 117.33 3ifb n ALA 32 Ca 0.15 0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 3ifb n ALA 32 Cb 0.43 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.78 3ifb n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ifb n HIS 33 N -1.66 2.13 -2.63 0.00 -0.00 0.10 -4.74 115.22 108.42 3ifb n HIS 33 Ca 0.01 -2.07 -0.29 0.00 -0.00 0.00 0.00 57.72 55.38 3ifb n HIS 33 Cb 0.09 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.99 29.75 3ifb n HIS 33 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3ifb n ASP 34 N -0.74 4.96 0.00 0.41 2.03 0.84 -4.56 116.55 119.48 3ifb n ASP 34 Ca 0.36 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.96 3ifb n ASP 34 Cb 0.91 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 3ifb n ASP 34 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ifb n ASN 35 N -0.37 0.00 0.00 1.67 2.04 -1.26 -4.73 115.26 112.61 3ifb n ASN 35 Ca 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.51 3ifb n ASN 35 Cb 0.50 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 3ifb n ASN 35 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3ifb n LEU 36 N 0.00 0.00 0.00 -4.53 4.77 -1.26 -4.86 117.00 111.12 3ifb n LEU 36 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ifb n LEU 36 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ifb n LEU 36 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 3ifb n LYS 37 N -0.68 0.00 -3.41 3.23 4.81 -0.79 -2.20 118.16 119.12 3ifb n LYS 37 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3ifb n LYS 37 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 3ifb n LYS 37 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3ifb s LEU 38 N 0.00 -1.16 -0.51 3.14 2.96 -0.85 -0.04 118.68 122.23 3ifb s LEU 38 Ca 0.00 1.11 -0.28 0.00 -0.22 0.00 0.00 54.13 54.74 3ifb s LEU 38 Cb 0.00 2.05 0.01 0.00 0.50 0.00 0.00 46.19 48.75 3ifb s LEU 38 CO 0.00 -0.24 1.44 -0.89 -1.32 0.00 0.00 176.35 175.33 3ifb s THR 39 N 2.82 3.81 0.13 3.68 2.01 -0.82 -0.25 115.64 127.03 3ifb s THR 39 Ca 0.07 0.74 0.03 0.00 0.31 0.00 0.00 61.69 62.84 3ifb s THR 39 Cb -0.14 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 3ifb s THR 39 CO -0.19 -1.00 0.19 -0.51 -0.69 0.00 0.00 174.62 172.42 3ifb s ILE 40 N 5.98 4.90 -0.33 1.82 2.07 -0.28 -0.48 121.20 134.88 3ifb s ILE 40 Ca 0.57 -0.81 0.05 0.00 -1.41 0.00 0.00 60.65 59.04 3ifb s ILE 40 Cb -0.12 -3.48 0.19 0.00 0.13 0.00 0.00 42.46 39.18 3ifb s ILE 40 CO 0.28 -0.04 0.66 -0.89 -1.91 0.00 0.00 174.94 173.04 3ifb s THR 41 N -1.67 -0.90 0.83 4.00 2.01 -0.60 -2.12 115.64 117.18 3ifb s THR 41 Ca 0.32 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 3ifb s THR 41 Cb -0.11 -0.57 0.09 0.00 0.01 0.00 0.00 72.50 71.93 3ifb s THR 41 CO 0.26 0.00 1.18 -1.10 -0.69 0.00 0.00 174.62 174.27 3ifb s GLN 42 N 2.48 1.55 -0.43 4.92 -1.52 -1.23 -2.19 119.66 123.25 3ifb s GLN 42 Ca 0.14 1.67 0.07 0.00 -1.95 0.00 0.00 55.36 55.29 3ifb s GLN 42 Cb -0.07 -1.78 0.24 0.00 -0.22 0.00 0.00 33.01 31.19 3ifb s GLN 42 CO -0.19 -2.26 0.53 0.39 -0.25 0.00 0.00 175.29 173.51 3ifb n GLU 43 N -3.50 0.88 0.00 2.91 -0.58 -0.05 -4.84 120.64 115.46 3ifb n GLU 43 Ca 0.13 -3.40 0.00 0.00 -0.42 0.00 0.00 57.16 53.47 3ifb n GLU 43 Cb 0.51 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.49 1.35 0.73 0.62 0.00 -1.26 -2.22 105.19 105.91 3ifb n GLY 44 Ca 0.23 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.48 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 10.05 2.11 -4.54 1.61 6.94 -1.26 -4.90 115.26 125.27 3ifb n ASN 45 Ca 0.00 -2.04 -0.25 0.00 -0.02 0.00 0.00 54.58 52.27 3ifb n ASN 45 Cb 0.00 -0.28 -0.09 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.53 1.93 -0.32 -3.83 2.20 -0.94 -3.80 119.74 113.45 3ifb s LYS 46 Ca 0.25 -1.48 0.04 0.00 -0.36 0.00 0.00 55.97 54.42 3ifb s LYS 46 Cb 0.14 -2.01 0.09 0.00 -1.51 0.00 0.00 37.83 34.54 3ifb s LYS 46 CO 0.16 0.38 0.00 -0.06 -0.36 0.00 0.00 175.35 175.48 3ifb s PHE 47 N -2.06 3.59 -0.36 4.03 0.40 0.63 -0.87 117.98 123.34 3ifb s PHE 47 Ca 0.27 -2.79 -0.25 0.00 -0.60 0.00 0.00 56.93 53.57 3ifb s PHE 47 Cb -0.07 -2.62 0.01 0.00 0.51 0.00 0.00 43.02 40.86 3ifb s PHE 47 CO 0.15 -0.93 0.86 0.99 0.70 0.00 0.00 175.22 177.00 3ifb s THR 48 N 0.97 4.66 -0.17 0.64 2.01 -0.93 -2.25 115.64 120.57 3ifb s THR 48 Ca 0.05 1.07 0.01 0.00 0.31 0.00 0.00 61.69 63.13 3ifb s THR 48 Cb -0.19 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.07 3ifb s THR 48 CO -0.07 -0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.52 3ifb s VAL 49 N 3.29 1.87 -0.66 3.82 1.01 -0.88 -1.57 120.40 127.28 3ifb s VAL 49 Ca 0.35 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3ifb s VAL 49 Cb -0.13 -1.74 0.17 0.00 0.00 0.00 0.00 36.38 34.69 3ifb s VAL 49 CO 0.18 0.45 0.51 -0.75 0.00 0.00 0.00 175.10 175.49 3ifb s LYS 50 N 1.36 2.80 0.39 2.72 2.20 0.36 0.23 119.74 129.81 3ifb s LYS 50 Ca 0.04 -2.46 -0.23 0.00 -0.36 0.00 0.00 55.97 52.96 3ifb s LYS 50 Cb -0.14 -3.91 -0.10 0.00 -1.51 0.00 0.00 37.83 32.17 3ifb s LYS 50 CO -0.11 -1.20 0.96 -2.00 -0.36 0.00 0.00 175.35 172.63 3ifb s GLU 51 N 0.09 4.34 0.07 4.03 2.12 -0.22 -1.95 118.70 127.18 3ifb s GLU 51 Ca 0.16 1.23 0.02 0.00 0.36 0.00 0.00 54.97 56.74 3ifb s GLU 51 Cb -0.18 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 3ifb s GLU 51 CO -0.05 0.07 -0.07 0.45 -0.54 0.00 0.00 175.26 175.12 3ifb s SER 52 N -1.93 0.92 -0.00 -1.70 0.15 0.94 -0.02 113.70 112.07 3ifb s SER 52 Ca 0.58 -0.80 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 3ifb s SER 52 Cb -0.14 0.08 0.10 0.00 -1.71 0.00 0.00 66.02 64.35 3ifb s SER 52 CO 0.18 -0.36 0.85 -0.94 1.20 0.00 0.00 173.24 174.17 3ifb s SER 53 N -2.36 -0.41 0.60 5.45 1.04 -1.26 -1.89 113.70 114.88 3ifb s SER 53 Ca 0.01 0.07 0.35 0.00 0.48 0.00 0.00 55.95 56.86 3ifb s SER 53 Cb -0.01 0.41 1.96 0.00 0.10 0.00 0.00 66.02 68.47 3ifb s SER 53 CO -0.03 -0.64 2.25 0.00 0.98 0.00 0.00 173.24 175.80 3ifb h ALA 54 N 2.10 1.26 0.80 5.32 0.00 -1.85 -2.64 119.26 124.25 3ifb h ALA 54 Ca -0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ifb h ALA 54 Cb 1.24 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ifb h ALA 54 CO 0.32 0.03 -0.39 0.74 0.00 0.00 0.00 179.25 179.95 3ifb h PHE 55 N 0.00 -1.00 0.00 0.00 -1.00 -1.95 -3.48 116.94 109.51 3ifb h PHE 55 Ca -0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3ifb h PHE 55 Cb 0.09 0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.98 3ifb h PHE 55 CO 0.00 -0.62 0.00 -2.13 -1.61 0.00 0.00 178.31 173.95 3ifb n ARG 56 N -5.14 0.00 -2.78 1.51 3.00 -1.00 -4.74 116.66 107.52 3ifb n ARG 56 Ca -0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.40 3ifb n ARG 56 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.84 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 6.72 0.04 6.15 4.22 -1.26 -4.09 114.94 126.72 3ifb s ASN 57 Ca 0.00 1.44 0.03 0.00 -2.14 0.00 0.00 52.86 52.19 3ifb s ASN 57 Cb 0.00 -2.44 -0.02 0.00 1.28 0.00 0.00 41.25 40.06 3ifb s ASN 57 CO 0.00 -0.40 -0.11 0.27 -2.04 0.00 0.00 177.10 174.83 3ifb s ILE 58 N -2.30 0.80 0.18 0.54 -0.00 0.97 -4.97 121.20 116.41 3ifb s ILE 58 Ca 0.57 -1.03 -0.29 0.00 -0.00 0.00 0.00 60.65 59.90 3ifb s ILE 58 Cb -0.10 -0.79 -0.08 0.00 -0.00 0.00 0.00 42.46 41.50 3ifb s ILE 58 CO 0.23 -0.20 0.93 -1.83 -0.00 0.00 0.00 174.94 174.07 3ifb s GLU 59 N -1.36 4.76 -0.31 0.37 -1.05 -1.26 -1.06 118.70 118.79 3ifb s GLU 59 Ca -0.04 1.43 -0.02 0.00 -0.15 0.00 0.00 54.97 56.19 3ifb s GLU 59 Cb -0.09 -3.32 0.12 0.00 -0.44 0.00 0.00 34.13 30.40 3ifb s GLU 59 CO 0.01 0.40 0.19 0.08 0.95 0.00 0.00 175.26 176.88 3ifb s VAL 60 N -0.68 -0.09 -0.01 1.83 1.01 0.14 -4.90 120.40 117.70 3ifb s VAL 60 Ca 0.43 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3ifb s VAL 60 Cb -0.25 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3ifb s VAL 60 CO 0.30 -0.74 -0.03 0.54 0.00 0.00 0.00 175.10 175.18 3ifb s VAL 61 N 1.89 3.96 0.26 2.92 0.11 -1.26 -2.08 120.40 126.20 3ifb s VAL 61 Ca 0.11 -0.61 -0.21 0.00 -2.93 0.00 0.00 61.98 58.34 3ifb s VAL 61 Cb -0.17 -2.73 0.06 0.00 -1.53 0.00 0.00 36.38 32.01 3ifb s VAL 61 CO -0.27 0.43 0.88 0.72 -3.33 0.00 0.00 175.10 173.53 3ifb s PHE 62 N -1.01 -0.02 0.26 1.54 -0.12 -0.95 -4.88 117.98 112.80 3ifb s PHE 62 Ca 0.17 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 3ifb s PHE 62 Cb -0.11 0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 3ifb s PHE 62 CO 0.08 -1.16 0.22 -1.21 -0.05 0.00 0.00 175.22 173.09 3ifb s GLU 63 N -2.85 1.46 0.12 1.99 2.02 -1.26 -0.27 118.70 119.92 3ifb s GLU 63 Ca 0.15 -1.76 -0.31 0.00 0.02 0.00 0.00 54.97 53.07 3ifb s GLU 63 Cb -0.04 0.31 -0.10 0.00 0.10 0.00 0.00 34.13 34.40 3ifb s GLU 63 CO 0.07 -0.52 1.74 -0.48 0.02 0.00 0.00 175.26 176.08 3ifb s LEU 64 N -3.24 4.38 -0.69 1.80 0.05 -1.25 -3.24 118.68 116.50 3ifb s LEU 64 Ca 0.38 2.67 -0.00 0.00 0.05 0.00 0.00 54.13 57.23 3ifb s LEU 64 Cb 0.04 -3.57 -0.00 0.00 -2.05 0.00 0.00 46.19 40.61 3ifb s LEU 64 CO 0.18 -0.95 0.58 0.61 -0.55 0.00 0.00 176.35 176.23 3ifb n GLY 65 N 4.09 -0.05 3.03 -3.48 0.00 0.18 -4.96 105.19 103.99 3ifb n GLY 65 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.21 0.15 0.12 1.61 1.01 -1.06 -4.93 120.40 114.09 3ifb s VAL 66 Ca 0.02 -1.26 0.05 0.00 0.00 0.00 0.00 61.98 60.79 3ifb s VAL 66 Cb -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3ifb s VAL 66 CO 0.43 -0.70 0.05 -0.89 0.00 0.00 0.00 175.10 173.99 3ifb s THR 67 N -2.43 4.20 -0.11 3.92 2.01 -1.26 -2.01 115.64 119.96 3ifb s THR 67 Ca -0.07 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 3ifb s THR 67 Cb -0.03 -3.06 0.10 0.00 0.01 0.00 0.00 72.50 69.52 3ifb s THR 67 CO -0.05 0.03 0.84 0.72 -0.69 0.00 0.00 174.62 175.47 3ifb s PHE 68 N -1.51 -0.52 0.64 4.92 -0.71 -0.03 -4.98 117.98 115.79 3ifb s PHE 68 Ca 0.28 0.90 -0.08 0.00 -1.04 0.00 0.00 56.93 56.99 3ifb s PHE 68 Cb -0.11 0.43 0.01 0.00 -1.21 0.00 0.00 43.02 42.14 3ifb s PHE 68 CO 0.20 -0.47 0.98 -0.80 -1.34 0.00 0.00 175.22 173.79 3ifb s ASN 69 N -1.11 5.51 -0.12 1.98 -0.87 -1.26 -1.55 114.94 117.53 3ifb s ASN 69 Ca -0.06 0.87 -0.07 0.00 -1.57 0.00 0.00 52.86 52.03 3ifb s ASN 69 Cb -0.00 -1.78 0.05 0.00 -0.02 0.00 0.00 41.25 39.50 3ifb s ASN 69 CO 0.06 -1.18 0.29 -0.47 -2.57 0.00 0.00 177.10 173.22 3ifb s TYR 70 N -3.14 -0.38 -0.15 2.20 6.14 0.17 -4.90 117.35 117.28 3ifb s TYR 70 Ca 0.56 0.89 0.00 0.00 0.64 0.00 0.00 57.07 59.15 3ifb s TYR 70 Cb -0.11 0.10 0.02 0.00 0.42 0.00 0.00 41.96 42.40 3ifb s TYR 70 CO 0.48 -0.24 -0.13 1.21 0.64 0.00 0.00 175.55 177.50 3ifb s ASN 71 N 1.12 2.71 0.63 4.32 3.84 -1.26 -0.59 114.94 125.71 3ifb s ASN 71 Ca -0.08 -0.51 -0.06 0.00 0.21 0.00 0.00 52.86 52.42 3ifb s ASN 71 Cb -0.09 -1.16 0.02 0.00 -0.55 0.00 0.00 41.25 39.48 3ifb s ASN 71 CO -0.08 -0.07 0.95 -0.22 -2.79 0.00 0.00 177.10 174.89 3ifb s LEU 72 N 1.50 3.09 0.31 3.21 2.96 -0.62 -4.92 118.68 124.21 3ifb s LEU 72 Ca 0.04 0.66 0.19 0.00 -0.22 0.00 0.00 54.13 54.80 3ifb s LEU 72 Cb -0.13 -3.43 0.15 0.00 0.50 0.00 0.00 46.19 43.27 3ifb s LEU 72 CO -0.10 -1.24 1.40 0.00 -1.32 0.00 0.00 176.35 175.09 3ifb h ALA 73 N -0.33 0.78 -0.90 5.97 0.00 -1.85 -2.92 119.26 120.01 3ifb h ALA 73 Ca -0.45 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 54.40 3ifb h ALA 73 Cb 1.27 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3ifb h ALA 73 CO 0.61 0.33 0.59 0.22 0.00 0.00 0.00 179.25 181.00 3ifb h ASP 74 N 0.00 0.44 0.00 0.00 1.82 -1.94 -3.45 116.42 113.30 3ifb h ASP 74 Ca -0.02 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 3ifb h ASP 74 Cb 1.21 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.18 3ifb h ASP 74 CO 0.03 0.18 0.00 0.61 -1.61 0.00 0.00 179.24 178.45 3ifb n GLY 75 N -1.50 0.68 3.36 -0.78 0.00 -1.11 -5.16 105.19 100.69 3ifb n GLY 75 Ca 0.19 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 3ifb n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifb s THR 76 N -0.19 0.05 0.18 2.61 2.01 -1.19 -4.99 115.64 114.12 3ifb s THR 76 Ca 0.00 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.58 3ifb s THR 76 Cb 0.00 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3ifb s THR 76 CO 0.00 -0.24 -0.15 -1.61 -0.69 0.00 0.00 174.62 171.93 3ifb s GLU 77 N -3.80 1.27 -0.14 4.92 2.02 -1.26 -1.58 118.70 120.13 3ifb s GLU 77 Ca 0.03 -1.49 -0.29 0.00 0.02 0.00 0.00 54.97 53.24 3ifb s GLU 77 Cb 0.01 -1.14 0.09 0.00 0.10 0.00 0.00 34.13 33.19 3ifb s GLU 77 CO -0.11 0.21 0.83 -1.17 0.02 0.00 0.00 175.26 175.03 3ifb s LEU 78 N -3.02 -0.55 -0.12 1.80 2.96 0.24 -4.22 118.68 115.77 3ifb s LEU 78 Ca 0.19 0.71 -0.17 0.00 -0.22 0.00 0.00 54.13 54.64 3ifb s LEU 78 Cb -0.03 2.24 0.04 0.00 0.50 0.00 0.00 46.19 48.94 3ifb s LEU 78 CO 0.06 -0.43 0.45 -0.60 -1.32 0.00 0.00 176.35 174.51 3ifb s ARG 79 N -0.83 0.62 0.29 1.98 3.52 -0.27 0.44 118.95 124.71 3ifb s ARG 79 Ca -0.05 0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.82 3ifb s ARG 79 Cb -0.01 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 3ifb s ARG 79 CO 0.04 -0.12 0.58 0.20 -0.81 0.00 0.00 175.30 175.20 3ifb s GLY 80 N -0.28 0.53 0.32 8.12 0.00 -0.59 0.10 107.32 115.52 3ifb s GLY 80 Ca -0.04 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 43.92 3ifb s GLY 80 CO 0.02 -0.52 0.07 -0.51 0.00 0.00 0.00 173.10 172.17 3ifb s THR 81 N -3.54 3.06 0.01 0.90 -4.23 0.31 -0.85 115.64 111.30 3ifb s THR 81 Ca 0.20 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3ifb s THR 81 Cb -0.03 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 3ifb s THR 81 CO 0.11 -0.24 0.00 0.26 -0.54 0.00 0.00 174.62 174.21 3ifb s TRP 82 N -2.42 0.15 -0.32 3.99 0.23 -0.85 -1.99 118.94 117.73 3ifb s TRP 82 Ca 0.35 -0.30 -0.01 0.00 -2.03 0.00 0.00 56.10 54.11 3ifb s TRP 82 Cb -0.03 -0.11 0.13 0.00 0.03 0.00 0.00 33.47 33.49 3ifb s TRP 82 CO 0.21 -0.14 0.23 -1.12 0.96 0.00 0.00 176.95 177.09 3ifb s SER 83 N -0.96 2.64 -0.47 2.95 0.01 -0.21 0.48 113.70 118.14 3ifb s SER 83 Ca -0.11 -1.57 -0.35 0.00 1.31 0.00 0.00 55.95 55.24 3ifb s SER 83 Cb -0.07 -0.07 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 3ifb s SER 83 CO -0.00 -0.36 2.28 -0.11 0.41 0.00 0.00 173.24 175.46 3ifb n LEU 84 N 4.67 1.76 -4.65 2.44 -0.00 -1.26 -1.96 117.00 118.00 3ifb n LEU 84 Ca 0.04 0.30 -0.31 0.00 -0.00 0.00 0.00 56.01 56.04 3ifb n LEU 84 Cb 0.41 -1.22 -0.09 0.00 -0.00 0.00 0.00 43.42 42.53 3ifb n LEU 84 CO 0.08 -0.83 -0.35 -1.61 -0.00 0.00 0.00 177.39 174.67 3ifb s GLU 85 N 6.80 2.58 0.00 1.96 0.41 -0.89 -4.97 118.70 124.59 3ifb s GLU 85 Ca 1.13 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 54.93 3ifb s GLU 85 Cb -0.90 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 3ifb s GLU 85 CO 0.48 0.58 0.00 0.41 -0.49 0.00 0.00 175.26 176.24 3ifb n GLY 86 N 1.06 0.84 1.15 -1.39 0.00 -1.26 -0.57 105.19 105.02 3ifb n GLY 86 Ca -0.13 0.29 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 3ifb n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifb n ASN 87 N 1.86 2.88 -2.05 1.61 6.94 -1.26 -5.03 115.26 120.21 3ifb n ASN 87 Ca 0.00 -3.84 -0.08 0.00 -0.02 0.00 0.00 54.58 50.64 3ifb n ASN 87 Cb 0.00 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 36.88 3ifb n ASN 87 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3ifb n LYS 88 N -1.01 0.33 -4.64 -3.83 2.85 0.26 -4.79 118.16 107.33 3ifb n LYS 88 Ca 0.30 -1.49 -0.26 0.00 -1.05 0.00 0.00 58.31 55.82 3ifb n LYS 88 Cb 0.84 1.38 -0.14 0.00 -0.65 0.00 0.00 35.03 36.46 3ifb n LYS 88 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3ifb s LEU 89 N 0.00 2.17 -0.13 -5.58 2.96 -0.30 -2.09 118.68 115.71 3ifb s LEU 89 Ca 0.16 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3ifb s LEU 89 Cb -0.00 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.72 3ifb s LEU 89 CO 0.11 0.16 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.47 3ifb s ILE 90 N -0.81 1.92 0.24 6.68 1.01 -0.83 -2.80 121.20 126.60 3ifb s ILE 90 Ca 0.07 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3ifb s ILE 90 Cb -0.09 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3ifb s ILE 90 CO 0.02 0.52 -0.04 -0.83 0.00 0.00 0.00 174.94 174.61 3ifb s GLY 91 N 0.81 1.59 -0.20 6.18 0.00 -0.84 -1.04 107.32 113.81 3ifb s GLY 91 Ca -0.08 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 3ifb s GLY 91 CO -0.01 -1.72 0.23 1.25 0.00 0.00 0.00 173.10 172.85 3ifb s LYS 92 N -3.79 0.19 0.41 2.90 2.36 -0.84 -2.35 119.74 118.62 3ifb s LYS 92 Ca 0.27 0.23 0.01 0.00 -2.55 0.00 0.00 55.97 53.93 3ifb s LYS 92 Cb 0.04 -1.14 0.08 0.00 -1.05 0.00 0.00 37.83 35.76 3ifb s LYS 92 CO 0.09 -0.64 0.57 1.19 1.55 0.00 0.00 175.35 178.10 3ifb n PHE 93 N 5.32 -3.04 -3.62 4.03 3.72 0.16 -0.53 117.46 123.51 3ifb n PHE 93 Ca -0.05 -1.06 -0.07 0.00 -0.05 0.00 0.00 57.45 56.21 3ifb n PHE 93 Cb 0.50 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 3ifb n PHE 93 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 3ifb s LYS 94 N -3.91 0.39 -0.73 -1.08 -2.85 0.12 -2.03 119.74 109.64 3ifb s LYS 94 Ca 0.38 0.25 -0.20 0.00 -1.00 0.00 0.00 55.97 55.40 3ifb s LYS 94 Cb -0.02 0.19 0.11 0.00 -2.06 0.00 0.00 37.83 36.04 3ifb s LYS 94 CO 0.25 -0.09 0.92 0.50 0.10 0.00 0.00 175.35 177.03 3ifb s ARG 95 N -0.50 3.26 0.65 1.78 3.52 -0.77 -1.11 118.95 125.79 3ifb s ARG 95 Ca 0.03 -1.37 0.25 0.00 -0.13 0.00 0.00 55.73 54.51 3ifb s ARG 95 Cb -0.03 -4.46 1.33 0.00 -1.56 0.00 0.00 34.95 30.23 3ifb s ARG 95 CO -0.05 -1.69 1.75 0.00 -0.81 0.00 0.00 175.30 174.50 3ifb h THR 96 N 5.84 0.05 -0.44 4.11 1.03 -1.91 0.21 112.91 121.81 3ifb h THR 96 Ca -0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.05 3ifb h THR 96 Cb 1.06 0.53 -0.13 0.00 -1.07 0.00 0.00 68.15 68.54 3ifb h THR 96 CO 1.11 0.00 0.27 -0.67 -0.01 0.00 0.00 175.52 176.22 3ifb n ASP 97 N -2.96 3.33 0.00 0.00 2.03 -1.26 -4.62 116.55 113.07 3ifb n ASP 97 Ca 0.01 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.61 3ifb n ASP 97 Cb 0.55 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 3ifb n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ifb n ASN 98 N -0.20 0.00 -0.02 1.67 2.85 0.48 -5.05 115.26 114.98 3ifb n ASN 98 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 3ifb n ASN 98 Cb 1.01 0.06 0.00 0.00 1.24 0.00 0.00 39.78 42.09 3ifb n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ifb n GLY 99 N -0.99 1.42 2.89 8.20 0.00 0.34 -5.02 105.19 112.02 3ifb n GLY 99 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3ifb n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ifb s ASN 100 N -2.09 4.36 0.00 1.61 0.01 -1.26 -4.86 114.94 112.71 3ifb s ASN 100 Ca 0.00 -3.33 0.00 0.00 -0.71 0.00 0.00 52.86 48.82 3ifb s ASN 100 Cb 0.00 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.12 3ifb s ASN 100 CO 0.00 -0.17 0.00 -1.84 -1.51 0.00 0.00 177.10 173.58 3ifb n GLU 101 N 2.67 0.00 -3.87 -0.60 0.28 -1.26 -1.84 120.64 116.02 3ifb n GLU 101 Ca 0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.01 3ifb n GLU 101 Cb 0.34 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.11 3ifb n GLU 101 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3ifb s LEU 102 N 0.00 1.56 -0.85 -1.84 0.20 -0.86 -3.40 118.68 113.49 3ifb s LEU 102 Ca 0.00 -0.17 -0.11 0.00 0.69 0.00 0.00 54.13 54.54 3ifb s LEU 102 Cb 0.00 0.65 0.22 0.00 -0.43 0.00 0.00 46.19 46.63 3ifb s LEU 102 CO 0.00 -0.34 0.78 0.20 -0.29 0.00 0.00 176.35 176.70 3ifb s ASN 103 N -1.25 6.58 0.25 3.68 0.01 -0.57 0.39 114.94 124.02 3ifb s ASN 103 Ca -0.13 -2.93 -0.17 0.00 -0.71 0.00 0.00 52.86 48.91 3ifb s ASN 103 Cb -0.07 -2.14 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 3ifb s ASN 103 CO 0.01 -0.47 0.71 0.28 -1.51 0.00 0.00 177.10 176.12 3ifb s THR 104 N -0.20 4.64 -0.17 1.60 -1.32 -0.99 -2.24 115.64 116.97 3ifb s THR 104 Ca 0.20 1.12 -0.15 0.00 -1.21 0.00 0.00 61.69 61.65 3ifb s THR 104 Cb -0.11 -3.76 0.04 0.00 -1.51 0.00 0.00 72.50 67.15 3ifb s THR 104 CO -0.08 0.08 0.44 0.54 -2.21 0.00 0.00 174.62 173.39 3ifb s VAL 105 N -1.67 -0.00 -0.06 5.08 0.11 -0.69 -1.99 120.40 121.18 3ifb s VAL 105 Ca 0.46 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.56 3ifb s VAL 105 Cb -0.14 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3ifb s VAL 105 CO 0.20 0.00 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.62 3ifb s ARG 106 N 0.24 2.40 -0.11 1.54 0.52 -1.12 -2.29 118.95 120.13 3ifb s ARG 106 Ca -0.00 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.12 3ifb s ARG 106 Cb -0.03 -1.98 0.12 0.00 0.52 0.00 0.00 34.95 33.58 3ifb s ARG 106 CO 0.01 0.27 0.95 -1.83 0.02 0.00 0.00 175.30 174.72 3ifb s GLU 107 N 0.06 0.68 -0.09 3.54 1.03 -0.91 -1.15 118.70 121.87 3ifb s GLU 107 Ca -0.08 0.01 -0.23 0.00 0.03 0.00 0.00 54.97 54.70 3ifb s GLU 107 Cb -0.14 0.32 -0.03 0.00 -0.80 0.00 0.00 34.13 33.47 3ifb s GLU 107 CO 0.04 -0.24 0.72 -1.50 -1.33 0.00 0.00 175.26 172.95 3ifb s ILE 108 N -1.76 5.02 -0.23 1.83 -1.16 -1.26 -1.16 121.20 122.48 3ifb s ILE 108 Ca 0.00 1.45 -0.02 0.00 -0.51 0.00 0.00 60.65 61.57 3ifb s ILE 108 Cb -0.01 -4.05 0.01 0.00 0.61 0.00 0.00 42.46 39.03 3ifb s ILE 108 CO -0.01 0.20 -0.07 -0.51 -2.81 0.00 0.00 174.94 171.74 3ifb s ILE 109 N 1.11 2.98 0.00 2.00 -1.16 0.13 -4.86 121.20 121.41 3ifb s ILE 109 Ca 0.37 -0.78 0.00 0.00 -0.51 0.00 0.00 60.65 59.73 3ifb s ILE 109 Cb -0.17 -2.41 0.00 0.00 0.61 0.00 0.00 42.46 40.49 3ifb s ILE 109 CO 0.17 0.34 0.00 0.61 -2.81 0.00 0.00 174.94 173.25 3ifb n GLY 110 N 4.72 3.61 1.94 1.50 0.00 -1.26 -0.78 105.19 114.92 3ifb n GLY 110 Ca -0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 3ifb n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ifb n ASP 111 N 5.00 5.12 -4.02 1.61 5.75 -1.26 -4.94 116.55 123.81 3ifb n ASP 111 Ca 0.00 -3.76 -0.09 0.00 -0.01 0.00 0.00 54.79 50.93 3ifb n ASP 111 Cb 0.00 -0.70 -0.11 0.00 -1.03 0.00 0.00 41.12 39.28 3ifb n ASP 111 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3ifb s GLU 112 N -3.56 0.42 -0.13 0.11 -1.05 0.04 -4.25 118.70 110.28 3ifb s GLU 112 Ca 0.55 -0.81 -0.06 0.00 -0.15 0.00 0.00 54.97 54.50 3ifb s GLU 112 Cb 0.45 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 3ifb s GLU 112 CO 0.02 -0.06 0.08 -1.17 0.95 0.00 0.00 175.26 175.08 3ifb s LEU 113 N -1.93 4.02 0.14 1.83 0.20 0.12 0.20 118.68 123.26 3ifb s LEU 113 Ca -0.08 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.06 3ifb s LEU 113 Cb -0.04 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.70 3ifb s LEU 113 CO -0.04 0.34 0.11 0.54 -0.29 0.00 0.00 176.35 177.01 3ifb s VAL 114 N -0.62 4.47 0.12 1.68 0.11 -0.31 -0.47 120.40 125.38 3ifb s VAL 114 Ca 0.12 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 3ifb s VAL 114 Cb -0.12 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 3ifb s VAL 114 CO 0.02 -0.03 -0.02 -1.10 -3.33 0.00 0.00 175.10 170.65 3ifb s GLN 115 N -2.85 0.89 0.01 1.54 -0.21 -0.94 -2.13 119.66 115.96 3ifb s GLN 115 Ca 0.30 -1.39 0.01 0.00 0.02 0.00 0.00 55.36 54.31 3ifb s GLN 115 Cb -0.11 -0.07 -0.01 0.00 1.00 0.00 0.00 33.01 33.82 3ifb s GLN 115 CO 0.23 -0.11 -0.05 0.95 -2.12 0.00 0.00 175.29 174.19 3ifb s THR 116 N -3.76 0.35 -0.11 -0.19 -4.23 -0.97 -2.04 115.64 104.70 3ifb s THR 116 Ca 0.16 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 3ifb s THR 116 Cb 0.06 -0.33 0.05 0.00 1.34 0.00 0.00 72.50 73.62 3ifb s THR 116 CO -0.02 -0.01 0.09 -0.31 -0.54 0.00 0.00 174.62 173.83 3ifb s TYR 117 N -0.37 0.07 -0.30 3.99 2.02 0.12 -1.70 117.35 121.19 3ifb s TYR 117 Ca -0.01 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 3ifb s TYR 117 Cb -0.03 -0.54 0.08 0.00 -0.40 0.00 0.00 41.96 41.06 3ifb s TYR 117 CO -0.00 -0.36 -0.03 0.08 -1.57 0.00 0.00 175.55 173.67 3ifb s VAL 118 N 2.18 2.18 -0.31 0.71 1.01 -0.95 0.71 120.40 125.93 3ifb s VAL 118 Ca 0.04 -1.95 -0.24 0.00 0.00 0.00 0.00 61.98 59.82 3ifb s VAL 118 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3ifb s VAL 118 CO -0.06 -0.31 0.83 -0.47 0.00 0.00 0.00 175.10 175.09 3ifb s TYR 119 N 1.03 3.19 0.00 5.22 5.04 0.18 -1.52 117.35 130.49 3ifb s TYR 119 Ca 0.01 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.48 3ifb s TYR 119 Cb -0.19 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 38.83 3ifb s TYR 119 CO -0.07 -0.60 0.00 -0.85 -1.34 0.00 0.00 175.55 172.69 3ifb n GLU 120 N 6.30 -0.26 0.00 4.97 -0.00 -1.22 -0.17 120.64 130.26 3ifb n GLU 120 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 3ifb n GLU 120 Cb 0.48 -0.34 0.00 0.00 -0.00 0.00 0.00 31.44 31.58 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ifb n GLY 121 N 0.00 -0.40 3.73 -1.84 0.00 -1.26 -5.13 105.19 100.30 3ifb n GLY 121 Ca 0.00 0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 5.13 0.08 1.61 1.01 0.76 -5.05 120.40 123.93 3ifb s VAL 122 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.06 3ifb s VAL 122 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3ifb s VAL 122 CO 0.00 0.34 0.10 -1.83 0.00 0.00 0.00 175.10 173.71 3ifb s GLU 123 N 0.47 2.98 0.26 2.72 -1.05 -1.26 -0.64 118.70 122.18 3ifb s GLU 123 Ca 0.28 -0.65 -0.17 0.00 -0.15 0.00 0.00 54.97 54.29 3ifb s GLU 123 Cb -0.16 -2.78 0.01 0.00 -0.44 0.00 0.00 34.13 30.75 3ifb s GLU 123 CO 0.12 0.57 0.59 0.00 0.95 0.00 0.00 175.26 177.50 3ifb s ALA 124 N -1.41 -0.70 -0.08 -0.84 0.00 0.22 -4.79 121.76 114.16 3ifb s ALA 124 Ca 0.30 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 3ifb s ALA 124 Cb -0.12 0.96 0.10 0.00 0.00 0.00 0.00 23.12 24.06 3ifb s ALA 124 CO 0.23 -0.94 0.84 0.21 0.00 0.00 0.00 175.76 176.10 3ifb s LYS 125 N -3.96 0.84 0.02 0.00 2.20 -1.06 -0.70 119.74 117.09 3ifb s LYS 125 Ca 0.17 0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.79 3ifb s LYS 125 Cb -0.03 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.68 3ifb s LYS 125 CO 0.08 -0.29 0.12 0.50 -0.36 0.00 0.00 175.35 175.40 3ifb s ARG 126 N -1.62 0.55 -0.06 4.03 3.00 -0.86 0.34 118.95 124.33 3ifb s ARG 126 Ca -0.04 -0.60 0.06 0.00 -1.00 0.00 0.00 55.73 54.15 3ifb s ARG 126 Cb -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 34.95 35.16 3ifb s ARG 126 CO 0.02 -0.14 -0.25 0.42 0.00 0.00 0.00 175.30 175.35 3ifb s ILE 127 N -2.09 2.08 -0.02 4.11 1.09 -0.61 -2.22 121.20 123.53 3ifb s ILE 127 Ca -0.09 -1.06 0.07 0.00 -1.10 0.00 0.00 60.65 58.46 3ifb s ILE 127 Cb -0.04 -1.75 -0.02 0.00 -1.06 0.00 0.00 42.46 39.60 3ifb s ILE 127 CO -0.02 0.57 -0.23 -0.36 -0.10 0.00 0.00 174.94 174.81 3ifb s PHE 128 N -0.19 2.04 0.39 3.97 0.40 0.39 -2.57 117.98 122.40 3ifb s PHE 128 Ca -0.03 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 3ifb s PHE 128 Cb -0.14 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 3ifb s PHE 128 CO 0.03 -0.05 0.03 0.15 0.70 0.00 0.00 175.22 176.09 3ifb s LYS 129 N -0.50 1.86 -0.85 0.44 -0.14 0.74 0.11 119.74 121.40 3ifb s LYS 129 Ca 0.08 -2.06 -0.21 0.00 -1.36 0.00 0.00 55.97 52.42 3ifb s LYS 129 Cb -0.09 -1.30 -0.20 0.00 -1.68 0.00 0.00 37.83 34.56 3ifb s LYS 129 CO -0.01 -0.14 2.34 1.63 -0.76 0.00 0.00 175.35 178.41 3ifb n LYS 130 N -0.88 0.40 -0.37 1.68 4.76 -1.26 -0.68 118.16 121.81 3ifb n LYS 130 Ca -0.05 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 3ifb n LYS 130 Cb 0.67 -2.89 0.00 0.00 -1.84 0.00 0.00 35.03 30.97 3ifb n LYS 130 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63