#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4n s VAL 3 N 0.00 5.20 -0.11 3.15 -7.23 -1.26 -4.74 120.40 115.42 3h4n s VAL 3 Ca 0.00 -0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.75 3h4n s VAL 3 Cb 0.00 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 3h4n s VAL 3 CO 0.00 -0.15 0.20 0.68 -0.31 0.00 0.00 175.10 175.52 3h4n s VAL 4 N -1.85 5.40 -0.25 1.32 -7.23 -0.26 -4.95 120.40 112.58 3h4n s VAL 4 Ca 0.39 0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 60.79 3h4n s VAL 4 Cb -0.11 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 3h4n s VAL 4 CO 0.29 0.57 0.17 -0.69 -0.31 0.00 0.00 175.10 175.13 3h4n s VAL 5 N -0.76 5.34 -0.38 1.32 1.01 -1.26 -1.02 120.40 124.66 3h4n s VAL 5 Ca 0.16 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 3h4n s VAL 5 Cb -0.13 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3h4n s VAL 5 CO 0.05 0.31 0.16 -0.76 0.00 0.00 0.00 175.10 174.86 3h4n s LEU 6 N 1.29 4.75 0.29 3.92 1.43 0.05 -4.98 118.68 125.44 3h4n s LEU 6 Ca 0.08 -1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 51.35 3h4n s LEU 6 Cb -0.14 -1.86 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3h4n s LEU 6 CO 0.07 -0.44 1.10 -1.61 0.23 0.00 0.00 176.35 175.70 3h4n s GLU 7 N 1.30 4.58 -0.15 1.70 2.02 -1.26 -1.00 118.70 125.89 3h4n s GLU 7 Ca 0.02 1.80 -0.15 0.00 0.02 0.00 0.00 54.97 56.65 3h4n s GLU 7 Cb -0.22 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 30.94 3h4n s GLU 7 CO -0.00 0.16 0.43 0.00 0.02 0.00 0.00 175.26 175.86 3h4n s ALA 8 N -1.21 -1.06 0.48 5.21 0.00 -1.26 -4.90 121.76 119.02 3h4n s ALA 8 Ca 0.46 1.14 0.22 0.00 0.00 0.00 0.00 51.96 53.78 3h4n s ALA 8 Cb -0.31 -0.62 1.35 0.00 0.00 0.00 0.00 23.12 23.53 3h4n s ALA 8 CO 0.40 -0.21 2.09 1.57 0.00 0.00 0.00 175.76 179.61 3h4n h LYS 9 N 5.27 0.00 -0.18 0.00 2.10 -2.01 -1.78 116.57 119.98 3h4n h LYS 9 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3h4n h LYS 9 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3h4n h LYS 9 CO 0.25 0.10 0.00 0.27 -2.00 0.00 0.00 179.45 178.08 3h4n n ASN 10 N -4.04 2.22 0.00 7.07 6.94 -1.26 -4.96 115.26 121.24 3h4n n ASN 10 Ca -0.02 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 3h4n n ASN 10 Cb 0.19 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 3h4n n ASN 10 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h4n n GLY 11 N 1.25 3.71 3.74 4.83 0.00 -0.67 -4.81 105.19 113.24 3h4n n GLY 11 Ca 0.17 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3h4n n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h4n s ASN 12 N 0.00 4.84 -0.12 1.61 0.01 -1.24 -4.29 114.94 115.74 3h4n s ASN 12 Ca 0.00 2.56 -0.02 0.00 -0.71 0.00 0.00 52.86 54.69 3h4n s ASN 12 Cb 0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 3h4n s ASN 12 CO 0.00 -1.84 -0.05 -0.69 -1.51 0.00 0.00 177.10 173.01 3h4n s VAL 13 N -1.45 3.82 -0.15 1.60 1.01 -0.18 -2.51 120.40 122.55 3h4n s VAL 13 Ca 0.80 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 3h4n s VAL 13 Cb -0.36 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3h4n s VAL 13 CO 0.38 0.54 0.19 -0.89 0.00 0.00 0.00 175.10 175.31 3h4n s THR 14 N -0.09 5.39 -0.09 3.92 2.01 -1.26 -0.77 115.64 124.76 3h4n s THR 14 Ca 0.02 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.37 3h4n s THR 14 Cb -0.13 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3h4n s THR 14 CO 0.03 0.49 -0.22 0.12 -0.69 0.00 0.00 174.62 174.35 3h4n s PHE 15 N -0.15 2.35 -0.25 4.92 5.36 -0.19 -4.99 117.98 125.04 3h4n s PHE 15 Ca 0.13 -0.91 0.02 0.00 -0.96 0.00 0.00 56.93 55.21 3h4n s PHE 15 Cb -0.12 -1.58 0.05 0.00 -0.34 0.00 0.00 43.02 41.03 3h4n s PHE 15 CO 0.02 -0.36 -0.11 0.34 -1.46 0.00 0.00 175.22 173.65 3h4n s ASP 16 N 0.30 4.27 0.25 6.13 2.15 -1.26 -1.10 116.67 127.40 3h4n s ASP 16 Ca -0.16 -1.20 -0.05 0.00 0.43 0.00 0.00 52.55 51.57 3h4n s ASP 16 Cb -0.17 -1.57 0.32 0.00 -0.30 0.00 0.00 42.92 41.21 3h4n s ASP 16 CO 0.07 -0.16 1.88 0.45 -0.17 0.00 0.00 175.17 177.24 3h4n h HIS 17 N 7.85 1.09 -0.85 -5.34 3.86 -1.98 -2.64 115.15 117.14 3h4n h HIS 17 Ca -0.25 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3h4n h HIS 17 Cb 1.07 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 29.13 3h4n h HIS 17 CO 0.60 0.59 0.56 -0.22 0.86 0.00 0.00 177.93 180.32 3h4n h LYS 18 N 1.10 1.04 0.00 2.45 3.64 -1.94 -1.18 116.57 121.67 3h4n h LYS 18 Ca 0.38 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3h4n h LYS 18 Cb 0.09 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3h4n h LYS 18 CO -0.15 0.69 -0.05 0.87 -2.27 0.00 0.00 179.45 178.54 3h4n h LYS 19 N 1.07 0.00 -0.53 1.90 1.79 -1.91 -3.08 116.57 115.80 3h4n h LYS 19 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3h4n h LYS 19 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3h4n h LYS 19 CO -0.10 0.05 0.00 0.72 -1.08 0.00 0.00 179.45 179.04 3h4n n HIS 20 N -3.21 0.91 0.13 -1.35 8.25 -0.48 -4.70 115.22 114.77 3h4n n HIS 20 Ca -0.00 -0.56 0.09 0.00 -0.26 0.00 0.00 57.72 56.99 3h4n n HIS 20 Cb 0.27 -0.09 0.58 0.00 1.12 0.00 0.00 29.99 31.87 3h4n n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h4n h ALA 21 N 3.20 2.00 -0.39 -1.41 0.00 -1.39 -2.96 119.26 118.30 3h4n h ALA 21 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h4n h ALA 21 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h4n h ALA 21 CO 0.07 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3h4n n GLY 22 N -1.54 1.42 3.77 0.00 0.00 -1.26 -4.94 105.19 102.65 3h4n n GLY 22 Ca 0.01 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 3h4n n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h4n s VAL 23 N -1.49 3.34 0.21 1.61 -7.23 -1.12 -4.90 120.40 110.82 3h4n s VAL 23 Ca 0.38 0.55 -0.32 0.00 -1.81 0.00 0.00 61.98 60.78 3h4n s VAL 23 Cb 0.21 -3.07 -0.12 0.00 0.56 0.00 0.00 36.38 33.96 3h4n s VAL 23 CO 0.29 -0.45 1.69 1.17 -0.31 0.00 0.00 175.10 177.49 3h4n n LYS 24 N -2.78 2.70 -0.20 4.82 4.81 -1.26 -1.37 118.16 124.88 3h4n n LYS 24 Ca 0.10 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 3h4n n LYS 24 Cb 0.52 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.77 3h4n n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h4n n GLY 25 N 3.69 1.32 7.00 3.14 0.00 -1.26 -4.40 105.19 114.68 3h4n n GLY 25 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h4n n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h4n n GLU 26 N -2.00 0.00 0.19 1.61 1.02 -0.47 -1.57 120.64 119.42 3h4n n GLU 26 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3h4n n GLU 26 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 31.44 31.97 3h4n n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h4n n LYS 28 N -4.47 0.55 0.27 0.00 5.02 -0.61 -1.01 118.16 117.91 3h4n n LYS 28 Ca -0.01 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 3h4n n LYS 28 Cb 0.13 -1.50 0.76 0.00 -0.02 0.00 0.00 35.03 34.39 3h4n n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h4n h ALA 29 N 3.26 1.45 0.00 7.82 0.00 -1.38 -3.37 119.26 127.04 3h4n h ALA 29 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h4n h ALA 29 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h4n h ALA 29 CO 0.00 0.10 -0.43 0.00 0.00 0.00 0.00 179.25 178.93 3h4n s HIS 31 N -1.25 2.70 0.13 0.00 4.02 -0.18 -4.97 115.29 115.74 3h4n s HIS 31 Ca 0.00 -0.46 -0.11 0.00 1.02 0.00 0.00 55.06 55.51 3h4n s HIS 31 Cb 0.00 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.58 29.62 3h4n s HIS 31 CO 0.00 0.17 1.44 0.93 1.02 0.00 0.00 174.74 178.31 3h4n h GLU 32 N 1.37 0.92 -4.53 1.40 5.08 -1.89 -3.37 114.58 113.57 3h4n h GLU 32 Ca -0.43 -0.53 -0.35 0.00 -1.00 0.00 0.00 59.36 57.05 3h4n h GLU 32 Cb 1.26 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.43 3h4n h GLU 32 CO 0.63 1.18 -0.38 0.95 -1.00 0.00 0.00 179.01 180.39 3h4n s THR 32 N -4.28 0.00 -0.26 1.13 -4.23 -1.26 -4.90 115.64 101.85 3h4n s THR 32 Ca -0.11 -1.83 0.22 0.00 -1.18 0.00 0.00 61.69 58.79 3h4n s THR 32 Cb 0.11 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.63 3h4n s THR 32 CO 0.89 0.00 1.67 -1.84 -0.54 0.00 0.00 174.62 174.80 3h4n n GLU 33 N -0.54 0.15 0.07 3.99 0.28 -1.26 -2.17 120.64 121.15 3h4n n GLU 33 Ca 0.04 0.60 -0.10 0.00 -0.16 0.00 0.00 57.16 57.54 3h4n n GLU 33 Cb 0.62 -1.94 0.02 0.00 1.43 0.00 0.00 31.44 31.57 3h4n n GLU 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h4n h ALA 34 N 2.05 0.56 -1.68 -1.84 0.00 -1.99 -3.49 119.26 112.87 3h4n h ALA 34 Ca 0.00 -0.65 0.16 0.00 0.00 0.00 0.00 54.91 54.42 3h4n h ALA 34 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3h4n h ALA 34 CO 0.00 0.80 -0.21 0.41 0.00 0.00 0.00 179.25 180.25 3h4n n GLY 35 N 0.67 -1.84 0.00 0.00 0.00 -0.92 -5.10 105.19 98.00 3h4n n GLY 35 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3h4n n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4n n GLY 36 N -1.98 -0.84 3.74 -0.02 0.00 -1.26 -4.94 105.19 99.89 3h4n n GLY 36 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 3h4n n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h4n s LYS 37 N -2.00 2.44 -0.37 1.61 -0.14 -1.26 -4.99 119.74 115.03 3h4n s LYS 37 Ca 0.00 1.64 -0.07 0.00 -1.36 0.00 0.00 55.97 56.17 3h4n s LYS 37 Cb 0.00 -1.88 0.05 0.00 -1.68 0.00 0.00 37.83 34.32 3h4n s LYS 37 CO 0.00 -1.58 0.16 0.42 -0.76 0.00 0.00 175.35 173.60 3h4n s ILE 38 N -2.07 3.94 0.35 2.17 1.01 -1.26 -4.98 121.20 120.37 3h4n s ILE 38 Ca 0.72 -1.25 0.07 0.00 0.00 0.00 0.00 60.65 60.19 3h4n s ILE 38 Cb -0.26 -3.31 0.31 0.00 0.01 0.00 0.00 42.46 39.20 3h4n s ILE 38 CO 0.43 -0.31 1.91 0.00 0.00 0.00 0.00 174.94 176.97 3h4n h ALA 39 N 8.28 1.75 0.00 9.38 0.00 -1.96 -1.67 119.26 135.04 3h4n h ALA 39 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h4n h ALA 39 Cb 1.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3h4n h ALA 39 CO 0.66 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3h4n n GLY 40 N -1.44 -1.08 3.67 0.00 0.00 -1.26 -4.93 105.19 100.15 3h4n n GLY 40 Ca 0.14 -0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 3h4n n GLY 40 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3h4n n MET 41 N -1.16 2.08 0.00 1.61 1.56 -0.63 -4.40 117.12 116.18 3h4n n MET 41 Ca 0.17 0.74 0.00 0.00 -0.27 0.00 0.00 57.70 58.35 3h4n n MET 41 Cb 0.17 -2.46 0.00 0.00 2.15 0.00 0.00 33.22 33.08 3h4n n MET 41 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3h4n n GLY 42 N 2.80 -0.17 0.14 -5.12 0.00 -1.26 -4.99 105.19 96.59 3h4n n GLY 42 Ca 0.14 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 3h4n n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h4n h LYS 43 N 0.00 0.06 -0.32 1.61 3.64 -1.97 -1.05 116.57 118.54 3h4n h LYS 43 Ca 0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3h4n h LYS 43 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3h4n h LYS 43 CO 0.00 0.04 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.76 3h4n h ASP 44 N 0.06 0.56 -0.44 4.20 3.32 -1.95 0.80 116.42 122.97 3h4n h ASP 44 Ca 0.16 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 3h4n h ASP 44 Cb 0.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h4n h ASP 44 CO -0.28 0.75 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.60 3h4n h TRP 45 N 0.36 0.99 -0.20 4.55 7.01 -1.74 -2.49 115.95 124.43 3h4n h TRP 45 Ca 0.09 -0.22 -0.06 0.00 2.11 0.00 0.00 58.89 60.80 3h4n h TRP 45 Cb 0.47 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 3h4n h TRP 45 CO 0.04 0.99 -0.12 0.00 -2.79 0.00 0.00 178.44 176.55 3h4n h ALA 46 N 0.86 0.28 -0.46 2.65 0.00 -0.95 0.71 119.26 122.35 3h4n h ALA 46 Ca 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3h4n h ALA 46 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h4n h ALA 46 CO 0.05 0.14 0.13 0.45 0.00 0.00 0.00 179.25 180.02 3h4n h HIS 47 N 0.11 0.69 0.14 0.00 3.86 -0.87 0.89 115.15 119.97 3h4n h HIS 47 Ca 0.04 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3h4n h HIS 47 Cb 0.63 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3h4n h HIS 47 CO 0.07 0.58 -0.07 -0.22 0.86 0.00 0.00 177.93 179.15 3h4n h LYS 48 N 0.67 -0.18 0.00 2.45 3.64 -1.33 -3.23 116.57 118.59 3h4n h LYS 48 Ca 0.15 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3h4n h LYS 48 Cb 0.22 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3h4n h LYS 48 CO -0.01 0.20 -0.38 1.15 -2.27 0.00 0.00 179.45 178.15 3h4n h THR 49 N -0.60 1.20 0.52 1.00 2.02 -0.69 -2.54 112.91 113.82 3h4n h THR 49 Ca -0.02 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.10 3h4n h THR 49 Cb 0.46 2.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.29 3h4n h THR 49 CO 0.03 0.41 -0.25 0.00 0.37 0.00 0.00 175.52 176.08 3h4n h THR 52 N -1.05 1.22 -0.23 0.00 2.02 -1.57 -2.64 112.91 110.66 3h4n h THR 52 Ca -0.07 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3h4n h THR 52 Cb 0.53 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3h4n h THR 52 CO 0.12 0.27 -0.05 1.23 0.37 0.00 0.00 175.52 177.46 3h4n h GLY 53 N 0.97 0.17 0.93 2.16 0.00 -1.47 -0.03 103.07 105.79 3h4n h GLY 53 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3h4n h GLY 53 CO -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 176.54 176.55 3h4n h HIS 55 N 0.46 0.65 -0.34 0.00 3.86 -1.12 -0.54 115.15 118.12 3h4n h HIS 55 Ca 0.12 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3h4n h HIS 55 Cb 0.28 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3h4n h HIS 55 CO 0.01 0.31 -0.04 -0.22 0.86 0.00 0.00 177.93 178.85 3h4n h LYS 56 N 0.66 0.63 -0.73 2.45 3.11 -0.90 -0.83 116.57 120.95 3h4n h LYS 56 Ca 0.29 -0.22 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 3h4n h LYS 56 Cb 0.18 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 3h4n h LYS 56 CO -0.18 0.77 0.37 0.93 -2.81 0.00 0.00 179.45 178.54 3h4n h GLU 57 N 0.42 1.04 0.00 1.90 5.08 -0.74 -3.02 114.58 119.26 3h4n h GLU 57 Ca 0.09 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3h4n h GLU 57 Cb 0.52 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3h4n h GLU 57 CO 0.03 0.80 -0.58 -1.33 -1.00 0.00 0.00 179.01 176.93 3h4n n MET 58 N -4.43 0.17 -1.84 2.33 2.81 -0.25 -4.95 117.12 110.96 3h4n n MET 58 Ca 0.06 0.04 -0.15 0.00 -1.81 0.00 0.00 57.70 55.85 3h4n n MET 58 Cb 0.12 -1.60 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 3h4n n MET 58 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h4n n GLY 59 N 1.41 0.67 2.93 3.03 0.00 -0.35 -5.01 105.19 107.87 3h4n n GLY 59 Ca 0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 3h4n n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h4n s LYS 60 N -3.97 0.30 0.00 1.61 1.02 -1.03 -5.05 119.74 112.62 3h4n s LYS 60 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3h4n s LYS 60 Cb 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.03 3h4n s LYS 60 CO 0.00 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 3h4n n GLY 61 N 2.96 1.22 3.73 -3.33 0.00 -1.26 -4.24 105.19 104.27 3h4n n GLY 61 Ca -0.13 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3h4n n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h4n s PRO 62 N -2.60 4.38 0.00 1.61 0.04 -1.26 -4.85 135.00 132.31 3h4n s PRO 62 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3h4n s PRO 62 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3h4n s PRO 62 CO 0.00 -0.29 0.16 0.25 0.04 0.00 0.00 177.00 177.17 3h4n n THR 63 N 2.89 0.00 -3.95 1.26 -2.24 -1.26 -4.77 114.28 106.22 3h4n n THR 63 Ca 0.07 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 3h4n n THR 63 Cb 0.43 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 3h4n n THR 63 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h4n s LYS 64 N -0.45 3.33 0.17 -0.78 3.01 -1.26 -5.03 119.74 118.72 3h4n s LYS 64 Ca 0.00 -0.45 -0.20 0.00 -1.01 0.00 0.00 55.97 54.30 3h4n s LYS 64 Cb 0.00 -2.99 0.09 0.00 -1.01 0.00 0.00 37.83 33.91 3h4n s LYS 64 CO 0.00 0.62 1.62 0.00 0.51 0.00 0.00 175.35 178.10 3h4n n GLY 66 N -1.39 -1.32 0.19 0.00 0.00 -1.26 -0.85 105.19 100.55 3h4n n GLY 66 Ca 0.02 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3h4n n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h4n h GLU 67 N 0.00 0.00 0.00 1.61 5.08 -1.71 -3.38 114.58 116.19 3h4n h GLU 67 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3h4n h GLU 67 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3h4n h GLU 67 CO 0.00 0.32 -2.29 0.00 -1.00 0.00 0.00 179.01 176.03 3h4n s HIS 69 N -2.43 2.73 0.00 0.00 3.76 -0.03 -4.22 115.29 115.10 3h4n s HIS 69 Ca -0.32 -1.00 0.00 0.00 -0.15 0.00 0.00 55.06 53.59 3h4n s HIS 69 Cb 0.11 -4.54 0.00 0.00 1.11 0.00 0.00 32.58 29.26 3h4n s HIS 69 CO 0.43 -1.78 0.00 0.36 -0.85 0.00 0.00 174.74 172.90