#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s TRP 2 N 0.00 3.01 0.31 0.66 1.48 -1.26 -5.06 118.94 118.08 3i55 s TRP 2 Ca 0.00 1.58 0.06 0.00 -1.06 0.00 0.00 56.10 56.68 3i55 s TRP 2 Cb 0.00 -3.22 -0.02 0.00 -1.16 0.00 0.00 33.47 29.07 3i55 s TRP 2 CO 0.00 -1.09 0.44 -0.51 -4.06 0.00 0.00 176.95 171.74 3i55 s ASP 3 N -1.60 6.07 -0.18 -2.66 1.01 -1.26 -5.07 116.67 112.98 3i55 s ASP 3 Ca 0.63 -0.09 -0.24 0.00 0.71 0.00 0.00 52.55 53.56 3i55 s ASP 3 Cb -0.23 -1.43 -0.22 0.00 1.01 0.00 0.00 42.92 42.05 3i55 s ASP 3 CO 0.28 -0.33 0.42 0.58 0.21 0.00 0.00 175.17 176.33 3i55 h VAL 4 N 0.96 1.23 -3.62 -1.27 2.07 -1.97 -3.40 116.25 110.25 3i55 h VAL 4 Ca -0.48 -2.24 -0.67 0.00 0.82 0.00 0.00 66.70 64.13 3i55 h VAL 4 Cb 1.25 2.65 -0.17 0.00 -1.52 0.00 0.00 31.29 33.49 3i55 h VAL 4 CO 0.55 0.42 -0.24 -0.63 0.02 0.00 0.00 177.57 177.70 3i55 s ILE 5 N -2.31 5.13 -0.02 4.57 1.01 -1.26 -1.81 121.20 126.50 3i55 s ILE 5 Ca -0.25 -0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 3i55 s ILE 5 Cb 0.03 -3.91 -0.28 0.00 0.01 0.00 0.00 42.46 38.31 3i55 s ILE 5 CO 0.63 -0.21 0.99 0.11 0.00 0.00 0.00 174.94 176.45 3i55 h LYS 6 N 8.55 0.35 0.00 2.79 1.57 -1.22 -3.49 116.57 125.12 3i55 h LYS 6 Ca -0.28 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 3i55 h LYS 6 Cb 1.13 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3i55 h LYS 6 CO 0.73 1.18 0.00 -2.39 -0.57 0.00 0.00 179.45 178.41 3i55 n HIS 7 N -4.16 0.00 -2.80 -1.35 1.44 -1.11 -5.00 115.22 102.24 3i55 n HIS 7 Ca -0.12 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.18 3i55 n HIS 7 Cb 0.76 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.82 3i55 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3i55 s PRO 8 N -2.00 4.62 -0.62 -1.40 0.02 -1.26 -0.07 135.00 134.29 3i55 s PRO 8 Ca 0.00 1.34 -0.22 0.00 0.02 0.00 0.00 61.00 62.14 3i55 s PRO 8 Cb 0.00 -3.39 0.07 0.00 0.02 0.00 0.00 34.50 31.20 3i55 s PRO 8 CO 0.00 0.19 0.89 -1.58 -0.33 0.00 0.00 177.00 176.17 3i55 s HIS 9 N 0.16 2.77 -0.31 6.54 2.46 0.54 -4.80 115.29 122.64 3i55 s HIS 9 Ca 0.45 -0.53 -0.07 0.00 0.47 0.00 0.00 55.06 55.38 3i55 s HIS 9 Cb -0.22 -4.16 0.02 0.00 -0.13 0.00 0.00 32.58 28.09 3i55 s HIS 9 CO 0.28 -1.50 0.09 0.54 -2.47 0.00 0.00 174.74 171.67 3i55 s VAL 10 N 3.73 3.94 0.23 0.89 0.11 -1.26 -4.52 120.40 123.52 3i55 s VAL 10 Ca 0.21 -0.82 -0.11 0.00 -2.93 0.00 0.00 61.98 58.33 3i55 s VAL 10 Cb -0.18 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.57 3i55 s VAL 10 CO 0.11 -0.01 0.41 0.42 -3.33 0.00 0.00 175.10 172.70 3i55 s THR 11 N 1.47 0.00 0.08 5.04 -4.23 -1.26 -4.98 115.64 111.77 3i55 s THR 11 Ca 0.01 -1.49 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 3i55 s THR 11 Cb -0.18 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 3i55 s THR 11 CO 0.03 -0.02 1.31 -0.33 -0.54 0.00 0.00 174.62 175.06 3i55 h GLU 12 N 2.33 -0.12 -0.01 3.99 5.08 -2.00 0.47 114.58 124.33 3i55 h GLU 12 Ca -0.28 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3i55 h GLU 12 Cb 1.25 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3i55 h GLU 12 CO 0.39 -0.08 0.02 -0.22 -1.00 0.00 0.00 179.01 178.12 3i55 h LYS 13 N -0.12 0.00 -0.12 2.33 3.64 -2.00 0.10 116.57 120.40 3i55 h LYS 13 Ca 0.06 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 3i55 h LYS 13 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3i55 h LYS 13 CO -0.43 0.00 -0.58 0.00 -2.27 0.00 0.00 179.45 176.18 3i55 h ALA 14 N 1.98 0.79 0.54 5.00 0.00 -0.55 -3.15 119.26 123.86 3i55 h ALA 14 Ca 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3i55 h ALA 14 Cb 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i55 h ALA 14 CO -0.00 0.70 -0.26 0.52 0.00 0.00 0.00 179.25 180.22 3i55 h MET 15 N 0.29 -0.69 -0.91 0.00 2.86 0.14 -3.01 114.93 113.60 3i55 h MET 15 Ca -0.00 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 3i55 h MET 15 Cb 1.09 0.16 -0.14 0.00 0.06 0.00 0.00 31.60 32.77 3i55 h MET 15 CO 0.10 -0.42 -0.39 0.09 1.06 0.00 0.00 176.91 177.35 3i55 n ASN 16 N -5.26 -0.66 -0.26 1.22 3.02 -0.90 0.18 115.26 112.60 3i55 n ASN 16 Ca -0.10 1.59 0.03 0.00 -0.03 0.00 0.00 54.58 56.08 3i55 n ASN 16 Cb 0.31 -0.33 0.16 0.00 -0.61 0.00 0.00 39.78 39.30 3i55 n ASN 16 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3i55 h ASP 17 N 0.00 0.44 0.11 6.41 5.19 -1.62 0.81 116.42 127.76 3i55 h ASP 17 Ca 0.28 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.77 3i55 h ASP 17 Cb 0.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 3i55 h ASP 17 CO -0.89 0.23 -0.07 -0.03 -3.12 0.00 0.00 179.24 175.35 3i55 h MET 18 N 0.58 -0.18 0.00 3.56 1.85 0.28 0.33 114.93 121.35 3i55 h MET 18 Ca 0.38 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.48 3i55 h MET 18 Cb 0.46 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.53 3i55 h MET 18 CO -0.31 -0.12 0.00 -0.25 -0.40 0.00 0.00 176.91 175.83 3i55 n ASP 19 N -5.18 0.00 -0.13 1.39 8.00 0.02 -2.26 116.55 118.39 3i55 n ASP 19 Ca -0.08 0.71 -0.01 0.00 0.71 0.00 0.00 54.79 56.12 3i55 n ASP 19 Cb 0.11 -0.47 0.23 0.00 -0.02 0.00 0.00 41.12 40.97 3i55 n ASP 19 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3i55 h PHE 20 N 0.00 0.82 -0.05 1.24 0.05 -0.98 -3.30 116.94 114.72 3i55 h PHE 20 Ca 0.00 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.74 3i55 h PHE 20 Cb 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 37.70 3i55 h PHE 20 CO 0.10 0.64 0.00 1.04 -0.18 0.00 0.00 178.31 179.92 3i55 n GLN 21 N -4.32 0.57 -3.51 1.51 6.02 0.81 -5.00 117.38 113.45 3i55 n GLN 21 Ca 0.05 -1.13 -0.19 0.00 -0.01 0.00 0.00 57.00 55.72 3i55 n GLN 21 Cb 0.17 -1.16 0.08 0.00 1.02 0.00 0.00 30.24 30.35 3i55 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i55 n ASN 22 N 0.42 -2.33 -4.26 1.08 5.15 0.66 -4.84 115.26 111.13 3i55 n ASN 22 Ca 0.05 -0.66 -0.29 0.00 -0.60 0.00 0.00 54.58 53.08 3i55 n ASN 22 Cb 0.23 -4.88 -0.16 0.00 -0.53 0.00 0.00 39.78 34.44 3i55 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i55 s LYS 23 N -5.60 1.98 -0.08 1.20 1.02 -0.50 -2.41 119.74 115.35 3i55 s LYS 23 Ca 0.07 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.26 3i55 s LYS 23 Cb -0.03 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 3i55 s LYS 23 CO 0.75 0.48 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.95 3i55 s LEU 24 N -0.48 2.33 -0.14 3.17 1.43 0.15 -1.74 118.68 123.40 3i55 s LEU 24 Ca 0.07 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3i55 s LEU 24 Cb -0.10 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3i55 s LEU 24 CO -0.00 0.22 0.03 -1.10 0.23 0.00 0.00 176.35 175.72 3i55 s GLN 25 N -0.00 3.55 0.19 1.70 -0.21 -1.26 -0.09 119.66 123.54 3i55 s GLN 25 Ca -0.07 -0.39 0.07 0.00 0.02 0.00 0.00 55.36 54.99 3i55 s GLN 25 Cb -0.15 -3.01 -0.05 0.00 1.00 0.00 0.00 33.01 30.81 3i55 s GLN 25 CO 0.05 0.44 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.47 3i55 s PHE 26 N -0.14 1.61 -0.41 0.91 0.40 0.10 -0.34 117.98 120.12 3i55 s PHE 26 Ca 0.05 -0.63 -0.13 0.00 -0.60 0.00 0.00 56.93 55.63 3i55 s PHE 26 Cb -0.12 -0.77 0.04 0.00 0.51 0.00 0.00 43.02 42.68 3i55 s PHE 26 CO 0.02 0.29 0.27 0.00 0.70 0.00 0.00 175.22 176.49 3i55 s ALA 27 N -3.06 3.38 0.20 5.36 0.00 0.90 -0.47 121.76 128.06 3i55 s ALA 27 Ca 0.21 -1.85 0.09 0.00 0.00 0.00 0.00 51.96 50.41 3i55 s ALA 27 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3i55 s ALA 27 CO 0.06 -1.51 -0.06 0.14 0.00 0.00 0.00 175.76 174.39 3i55 s VAL 28 N 1.58 3.32 0.19 0.00 -7.23 -0.47 -0.67 120.40 117.11 3i55 s VAL 28 Ca 0.03 -1.70 -0.32 0.00 -1.81 0.00 0.00 61.98 58.18 3i55 s VAL 28 Cb -0.21 -2.68 -0.12 0.00 0.56 0.00 0.00 36.38 33.94 3i55 s VAL 28 CO 0.07 -0.18 1.75 -0.62 -0.31 0.00 0.00 175.10 175.81 3i55 s ASP 29 N -3.07 6.39 0.00 4.85 -1.08 -0.75 -3.13 116.67 119.88 3i55 s ASP 29 Ca 0.27 2.84 0.00 0.00 -0.52 0.00 0.00 52.55 55.14 3i55 s ASP 29 Cb -0.08 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 3i55 s ASP 29 CO 0.17 -0.98 0.63 -0.90 0.52 0.00 0.00 175.17 174.60 3i55 n ASP 30 N 4.42 0.00 -0.85 -0.34 5.75 -1.26 -0.55 116.55 123.72 3i55 n ASP 30 Ca 0.16 0.19 0.12 0.00 -0.01 0.00 0.00 54.79 55.25 3i55 n ASP 30 Cb 0.36 -0.19 0.08 0.00 -1.03 0.00 0.00 41.12 40.34 3i55 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i55 n ARG 31 N -1.13 2.07 -2.70 0.11 1.74 -1.26 -4.94 116.66 110.56 3i55 n ARG 31 Ca 0.00 -1.71 -0.42 0.00 -0.77 0.00 0.00 57.85 54.95 3i55 n ARG 31 Cb 0.06 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3i55 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i55 s ALA 32 N -2.11 3.20 0.57 7.54 0.00 0.29 -5.05 121.76 126.20 3i55 s ALA 32 Ca 0.26 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 3i55 s ALA 32 Cb 0.20 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.01 3i55 s ALA 32 CO 0.36 -0.17 0.84 -1.54 0.00 0.00 0.00 175.76 175.25 3i55 s SER 33 N 0.65 5.39 0.14 0.00 1.04 -1.26 -4.91 113.70 114.74 3i55 s SER 33 Ca 0.51 0.37 -0.18 0.00 0.48 0.00 0.00 55.95 57.13 3i55 s SER 33 Cb -0.22 -1.32 -0.00 0.00 0.10 0.00 0.00 66.02 64.58 3i55 s SER 33 CO 0.29 -1.12 1.76 0.11 0.98 0.00 0.00 173.24 175.25 3i55 h LYS 34 N -0.08 0.23 -0.71 4.02 1.57 -1.97 -1.12 116.57 118.51 3i55 h LYS 34 Ca -0.44 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.48 3i55 h LYS 34 Cb 1.28 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.42 3i55 h LYS 34 CO 0.58 0.15 0.01 0.78 -0.57 0.00 0.00 179.45 180.40 3i55 h GLY 35 N 0.24 0.79 1.54 3.86 0.00 -1.95 0.16 103.07 107.71 3i55 h GLY 35 Ca 0.12 0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 3i55 h GLY 35 CO -0.11 -0.25 -0.33 0.83 0.00 0.00 0.00 176.54 176.67 3i55 h GLU 36 N 0.12 0.52 -0.37 4.80 5.08 -1.82 -2.69 114.58 120.21 3i55 h GLU 36 Ca 0.38 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3i55 h GLU 36 Cb 0.66 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3i55 h GLU 36 CO -0.61 0.79 -0.01 0.28 -1.00 0.00 0.00 179.01 178.46 3i55 h VAL 37 N 0.44 1.21 0.79 3.13 2.07 0.49 -1.64 116.25 122.75 3i55 h VAL 37 Ca 0.05 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3i55 h VAL 37 Cb 0.80 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3i55 h VAL 37 CO 0.06 0.30 -0.38 0.00 0.02 0.00 0.00 177.57 177.57 3i55 h ALA 38 N 1.43 -1.07 -0.01 1.67 0.00 -0.68 -2.62 119.26 117.99 3i55 h ALA 38 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3i55 h ALA 38 Cb 0.38 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3i55 h ALA 38 CO 0.01 -1.01 -0.35 -0.44 0.00 0.00 0.00 179.25 177.46 3i55 h ASP 39 N -1.23 -1.10 -0.98 0.00 5.19 -1.42 -0.31 116.42 116.57 3i55 h ASP 39 Ca -0.11 0.12 0.30 0.00 -0.62 0.00 0.00 57.03 56.73 3i55 h ASP 39 Cb 0.83 0.42 -0.18 0.00 0.18 0.00 0.00 39.33 40.58 3i55 h ASP 39 CO 0.18 -0.34 0.17 0.00 -3.12 0.00 0.00 179.24 176.13 3i55 h ALA 40 N -0.79 1.42 -0.06 3.45 0.00 -1.36 0.18 119.26 122.10 3i55 h ALA 40 Ca 0.01 0.31 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 3i55 h ALA 40 Cb 0.47 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3i55 h ALA 40 CO -0.24 -0.65 -0.88 0.28 0.00 0.00 0.00 179.25 177.75 3i55 h VAL 41 N 0.03 1.33 0.00 0.00 2.07 -1.00 -0.57 116.25 118.11 3i55 h VAL 41 Ca 0.66 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3i55 h VAL 41 Cb 1.47 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 3i55 h VAL 41 CO -0.86 0.68 0.00 -0.33 0.02 0.00 0.00 177.57 177.08 3i55 h GLU 42 N 0.37 0.00 0.00 1.57 5.08 0.10 -2.42 114.58 119.28 3i55 h GLU 42 Ca -0.08 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 3i55 h GLU 42 Cb 1.51 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.71 3i55 h GLU 42 CO 0.17 0.00 -2.07 0.39 -1.00 0.00 0.00 179.01 176.50 3i55 n GLU 43 N -2.74 0.57 0.00 2.33 1.02 -0.48 -2.06 120.64 119.28 3i55 n GLU 43 Ca -0.00 0.34 0.05 0.00 -0.02 0.00 0.00 57.16 57.52 3i55 n GLU 43 Cb 0.18 -1.55 0.24 0.00 -0.02 0.00 0.00 31.44 30.28 3i55 n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i55 n GLN 44 N -4.32 0.14 0.00 3.49 1.13 -0.23 -3.41 117.38 114.18 3i55 n GLN 44 Ca -0.45 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 3i55 n GLN 44 Cb 0.79 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.64 3i55 n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3i55 n TYR 45 N -1.27 0.00 -2.91 1.08 4.02 -0.91 -5.06 117.16 112.10 3i55 n TYR 45 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 3i55 n TYR 45 Cb 0.07 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.40 3i55 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3i55 n ASP 46 N 0.00 -7.63 -1.99 7.72 -0.08 -0.87 -5.03 116.55 108.67 3i55 n ASP 46 Ca 0.00 0.67 -0.06 0.00 -1.51 0.00 0.00 54.79 53.89 3i55 n ASP 46 Cb 0.00 -4.75 -0.00 0.00 2.34 0.00 0.00 41.12 38.70 3i55 n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i55 n VAL 47 N 0.05 0.00 -3.94 5.18 0.24 -1.21 -5.03 118.33 113.61 3i55 n VAL 47 Ca 0.06 -0.77 -0.31 0.00 -2.04 0.00 0.00 64.34 61.29 3i55 n VAL 47 Cb 0.37 0.55 -0.15 0.00 -1.47 0.00 0.00 33.84 33.14 3i55 n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i55 s THR 48 N -2.60 1.75 0.10 3.34 2.01 -1.26 -4.61 115.64 114.37 3i55 s THR 48 Ca 0.12 -1.72 -0.31 0.00 0.31 0.00 0.00 61.69 60.10 3i55 s THR 48 Cb -0.01 -2.15 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 3i55 s THR 48 CO 0.09 -0.39 1.23 -0.69 -0.69 0.00 0.00 174.62 174.18 3i55 s VAL 49 N 1.22 3.81 -0.26 3.82 1.01 -1.26 -0.69 120.40 128.05 3i55 s VAL 49 Ca 0.03 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.28 3i55 s VAL 49 Cb -0.19 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.18 3i55 s VAL 49 CO -0.10 0.13 -0.25 -0.62 0.00 0.00 0.00 175.10 174.26 3i55 n GLU 50 N 3.64 0.62 -3.84 2.72 -0.58 0.67 -4.84 120.64 119.03 3i55 n GLU 50 Ca 0.08 0.23 -0.11 0.00 -0.42 0.00 0.00 57.16 56.94 3i55 n GLU 50 Cb 0.45 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.71 3i55 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3i55 s GLN 51 N -2.51 0.60 -0.08 3.49 0.74 -1.17 -5.02 119.66 115.71 3i55 s GLN 51 Ca -0.36 -0.45 -0.02 0.00 0.05 0.00 0.00 55.36 54.58 3i55 s GLN 51 Cb 0.12 0.25 0.04 0.00 1.10 0.00 0.00 33.01 34.52 3i55 s GLN 51 CO 0.55 -0.16 0.04 0.08 -0.55 0.00 0.00 175.29 175.26 3i55 s VAL 52 N -1.84 0.10 -0.00 1.34 1.01 -1.26 -1.58 120.40 118.16 3i55 s VAL 52 Ca -0.11 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3i55 s VAL 52 Cb -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3i55 s VAL 52 CO 0.00 0.10 0.01 0.20 0.00 0.00 0.00 175.10 175.41 3i55 s ASN 53 N 2.08 5.20 0.07 3.32 0.02 -0.14 -4.92 114.94 120.56 3i55 s ASN 53 Ca 0.04 0.01 0.03 0.00 -1.02 0.00 0.00 52.86 51.93 3i55 s ASN 53 Cb -0.13 -1.38 -0.03 0.00 0.02 0.00 0.00 41.25 39.73 3i55 s ASN 53 CO -0.05 0.28 -0.10 0.42 0.02 0.00 0.00 177.10 177.67 3i55 s THR 54 N -1.10 0.79 -0.00 1.60 -4.23 -1.26 -0.12 115.64 111.32 3i55 s THR 54 Ca 0.20 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3i55 s THR 54 Cb -0.12 -0.97 -0.00 0.00 1.34 0.00 0.00 72.50 72.75 3i55 s THR 54 CO 0.11 -0.41 0.08 -1.58 -0.54 0.00 0.00 174.62 172.27 3i55 s GLN 55 N -2.04 0.34 -1.05 3.99 0.74 -0.84 -5.01 119.66 115.79 3i55 s GLN 55 Ca -0.03 -0.31 -0.11 0.00 0.05 0.00 0.00 55.36 54.96 3i55 s GLN 55 Cb -0.07 0.14 0.26 0.00 1.10 0.00 0.00 33.01 34.43 3i55 s GLN 55 CO 0.00 -0.07 1.05 -0.80 -0.55 0.00 0.00 175.29 174.92 3i55 s ASN 56 N -1.02 7.17 0.82 6.67 0.01 -1.26 0.00 114.94 127.32 3i55 s ASN 56 Ca -0.11 -3.32 -0.16 0.00 -0.71 0.00 0.00 52.86 48.56 3i55 s ASN 56 Cb -0.06 -2.22 -0.14 0.00 0.41 0.00 0.00 41.25 39.23 3i55 s ASN 56 CO 0.00 -0.39 -0.59 0.41 -1.51 0.00 0.00 177.10 175.02 3i55 n THR 57 N 3.15 0.00 0.92 1.60 -1.04 -0.53 -4.77 114.28 113.62 3i55 n THR 57 Ca 0.22 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3i55 n THR 57 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 3i55 n THR 57 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3i55 n MET 58 N 2.10 0.92 -0.77 -2.82 2.81 -1.26 -3.10 117.12 115.00 3i55 n MET 58 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.95 3i55 n MET 58 Cb 0.50 -1.13 0.11 0.00 -0.71 0.00 0.00 33.22 31.99 3i55 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i55 n ASP 59 N 0.43 1.38 0.00 7.83 10.43 -1.26 -4.96 116.55 130.40 3i55 n ASP 59 Ca 0.00 -2.95 0.00 0.00 2.57 0.00 0.00 54.79 54.41 3i55 n ASP 59 Cb 0.41 -0.40 0.00 0.00 1.84 0.00 0.00 41.12 42.97 3i55 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i55 n GLY 60 N -0.54 1.10 3.92 0.44 0.00 -1.18 -4.92 105.19 104.01 3i55 n GLY 60 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3i55 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 61 N 0.00 3.52 -0.28 1.61 2.02 -1.26 -4.78 118.70 119.53 3i55 s GLU 61 Ca 0.00 -0.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.56 3i55 s GLU 61 Cb 0.00 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 3i55 s GLU 61 CO 0.00 0.46 0.15 0.21 0.02 0.00 0.00 175.26 176.10 3i55 s LYS 62 N -3.04 3.74 0.27 1.61 2.20 -1.18 -1.46 119.74 121.87 3i55 s LYS 62 Ca 0.38 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 55.31 3i55 s LYS 62 Cb -0.12 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 3i55 s LYS 62 CO 0.28 -0.24 0.83 0.21 -0.36 0.00 0.00 175.35 176.07 3i55 s LYS 63 N 1.69 4.42 -0.10 4.03 2.20 0.10 -1.37 119.74 130.71 3i55 s LYS 63 Ca 0.06 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.77 3i55 s LYS 63 Cb -0.16 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.32 3i55 s LYS 63 CO 0.08 0.35 -0.10 0.00 -0.36 0.00 0.00 175.35 175.32 3i55 s ALA 64 N -1.55 1.37 -0.36 3.13 0.00 0.38 -1.99 121.76 122.74 3i55 s ALA 64 Ca 0.46 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 3i55 s ALA 64 Cb -0.18 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.15 3i55 s ALA 64 CO 0.22 -0.23 0.21 0.08 0.00 0.00 0.00 175.76 176.05 3i55 s VAL 65 N 1.32 4.77 -0.22 0.00 1.01 0.83 0.03 120.40 128.14 3i55 s VAL 65 Ca -0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3i55 s VAL 65 Cb -0.14 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 3i55 s VAL 65 CO -0.04 -0.15 -0.03 -0.69 0.00 0.00 0.00 175.10 174.19 3i55 s VAL 66 N 1.61 3.55 -0.21 2.92 1.01 0.87 -0.96 120.40 129.18 3i55 s VAL 66 Ca 0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3i55 s VAL 66 Cb -0.18 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3i55 s VAL 66 CO 0.08 0.42 0.10 -0.60 0.00 0.00 0.00 175.10 175.10 3i55 s ARG 67 N 1.38 4.02 0.23 2.72 3.52 -0.62 0.33 118.95 130.53 3i55 s ARG 67 Ca 0.05 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 3i55 s ARG 67 Cb -0.14 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 3i55 s ARG 67 CO -0.01 0.18 0.47 -0.51 -0.81 0.00 0.00 175.30 174.62 3i55 s LEU 68 N 0.67 4.16 0.86 -0.88 1.43 -1.01 -0.23 118.68 123.67 3i55 s LEU 68 Ca 0.05 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 3i55 s LEU 68 Cb -0.13 -3.41 0.11 0.00 0.03 0.00 0.00 46.19 42.79 3i55 s LEU 68 CO 0.01 -0.09 1.13 -0.94 0.23 0.00 0.00 176.35 176.70 3i55 s SER 69 N -2.89 3.51 0.40 2.29 1.04 0.13 -4.76 113.70 113.41 3i55 s SER 69 Ca 0.42 2.09 0.15 0.00 0.48 0.00 0.00 55.95 59.09 3i55 s SER 69 Cb -0.11 -2.55 1.02 0.00 0.10 0.00 0.00 66.02 64.47 3i55 s SER 69 CO 0.27 -2.71 1.84 -0.33 0.98 0.00 0.00 173.24 173.29 3i55 h GLU 70 N -1.52 0.47 -0.95 4.02 5.08 -1.98 -1.15 114.58 118.55 3i55 h GLU 70 Ca -0.43 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.08 3i55 h GLU 70 Cb 1.26 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 3i55 h GLU 70 CO 0.45 0.31 0.60 -0.44 -1.00 0.00 0.00 179.01 178.93 3i55 h ASP 71 N 0.48 0.63 -3.03 1.42 3.45 -1.97 -3.40 116.42 114.00 3i55 h ASP 71 Ca 0.50 0.06 -0.61 0.00 0.43 0.00 0.00 57.03 57.41 3i55 h ASP 71 Cb 1.14 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.80 3i55 h ASP 71 CO -0.22 0.26 -0.24 -1.81 -1.57 0.00 0.00 179.24 175.66 3i55 s ASP 72 N -5.59 6.71 -0.24 6.45 1.01 -0.44 -5.08 116.67 119.49 3i55 s ASP 72 Ca -0.10 0.85 -0.03 0.00 0.71 0.00 0.00 52.55 53.98 3i55 s ASP 72 Cb 0.23 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.97 3i55 s ASP 72 CO 0.79 0.26 -0.03 -0.62 0.21 0.00 0.00 175.17 175.79 3i55 s ASP 73 N -1.38 4.42 0.00 0.27 3.68 -1.26 -4.70 116.67 117.71 3i55 s ASP 73 Ca 0.27 -0.66 0.00 0.00 2.13 0.00 0.00 52.55 54.30 3i55 s ASP 73 Cb -0.15 -1.73 0.00 0.00 -1.45 0.00 0.00 42.92 39.59 3i55 s ASP 73 CO 0.15 -0.10 0.99 0.00 0.13 0.00 0.00 175.17 176.35 3i55 n ALA 74 N 4.75 -0.14 -0.33 3.66 0.00 -1.26 -1.74 120.51 125.45 3i55 n ALA 74 Ca -0.17 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.51 3i55 n ALA 74 Cb 0.49 0.35 0.46 0.00 0.00 0.00 0.00 19.45 20.75 3i55 n ALA 74 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i55 h GLN 75 N 0.00 0.06 -0.19 0.00 4.20 -1.94 0.46 115.11 117.70 3i55 h GLN 75 Ca 0.00 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 3i55 h GLN 75 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3i55 h GLN 75 CO 0.00 0.04 -0.21 0.93 -0.67 0.00 0.00 178.83 178.92 3i55 h GLU 76 N 0.06 0.33 0.08 1.46 5.08 -1.75 -2.07 114.58 117.77 3i55 h GLU 76 Ca 0.74 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.81 3i55 h GLU 76 Cb 1.78 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 31.02 3i55 h GLU 76 CO -0.78 0.53 -0.74 0.28 -1.00 0.00 0.00 179.01 177.30 3i55 h VAL 77 N 0.30 1.46 0.00 3.13 2.07 0.51 -3.30 116.25 120.43 3i55 h VAL 77 Ca 0.05 -2.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 3i55 h VAL 77 Cb 0.55 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 3i55 h VAL 77 CO 0.04 0.67 -0.29 0.00 0.02 0.00 0.00 177.57 178.00 3i55 h ALA 78 N 0.20 1.46 -0.65 1.67 0.00 -1.29 -3.01 119.26 117.63 3i55 h ALA 78 Ca -0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3i55 h ALA 78 Cb 1.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3i55 h ALA 78 CO 0.14 0.37 0.30 0.66 0.00 0.00 0.00 179.25 180.72 3i55 h SER 79 N 0.00 0.86 0.65 0.00 4.64 -1.45 -2.92 113.55 115.33 3i55 h SER 79 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3i55 h SER 79 Cb 0.54 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3i55 h SER 79 CO 0.04 0.76 0.00 -2.11 -0.87 0.00 0.00 176.83 174.65 3i55 n ARG 80 N -4.46 0.13 0.00 4.77 1.85 -1.14 -5.13 116.66 112.68 3i55 n ARG 80 Ca 0.05 0.37 0.00 0.00 -1.00 0.00 0.00 57.85 57.27 3i55 n ARG 80 Cb 0.14 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 29.80 3i55 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06