#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s TRP 2 N 0.00 3.53 0.19 0.66 1.48 -1.26 -5.09 118.94 118.45 3i56 s TRP 2 Ca 0.00 1.09 -0.08 0.00 -1.06 0.00 0.00 56.10 56.04 3i56 s TRP 2 Cb 0.00 -2.40 -0.07 0.00 -1.16 0.00 0.00 33.47 29.84 3i56 s TRP 2 CO 0.00 0.32 0.49 -0.51 -4.06 0.00 0.00 176.95 173.19 3i56 s ASP 3 N -1.96 6.60 -0.03 -2.66 1.01 -1.26 -5.05 116.67 113.32 3i56 s ASP 3 Ca 0.43 0.83 -0.17 0.00 0.71 0.00 0.00 52.55 54.35 3i56 s ASP 3 Cb -0.14 -2.19 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 3i56 s ASP 3 CO 0.20 -0.01 0.72 0.58 0.21 0.00 0.00 175.17 176.87 3i56 h VAL 4 N 2.12 0.12 -3.36 -1.27 2.07 -1.98 -3.42 116.25 110.54 3i56 h VAL 4 Ca -0.47 -0.63 -0.56 0.00 0.82 0.00 0.00 66.70 65.86 3i56 h VAL 4 Cb 1.17 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3i56 h VAL 4 CO 0.70 0.03 0.05 -0.63 0.02 0.00 0.00 177.57 177.74 3i56 s ILE 5 N -3.51 5.04 -0.15 4.57 1.01 -1.26 -1.84 121.20 125.05 3i56 s ILE 5 Ca -0.09 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 3i56 s ILE 5 Cb 0.01 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3i56 s ILE 5 CO 0.30 0.28 -0.11 0.29 0.00 0.00 0.00 174.94 175.70 3i56 n LYS 6 N 3.64 0.47 -3.54 2.79 5.02 -0.75 -4.96 118.16 120.83 3i56 n LYS 6 Ca -0.02 0.54 -0.07 0.00 -2.02 0.00 0.00 58.31 56.73 3i56 n LYS 6 Cb 0.51 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3i56 n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3i56 s HIS 7 N -2.27 -0.31 0.18 2.13 -3.43 -1.17 -5.04 115.29 105.39 3i56 s HIS 7 Ca -0.18 0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 53.93 3i56 s HIS 7 Cb 0.03 0.55 -0.08 0.00 -1.43 0.00 0.00 32.58 31.65 3i56 s HIS 7 CO 0.29 -0.58 1.12 -2.14 -2.00 0.00 0.00 174.74 171.43 3i56 s PRO 8 N -3.12 4.58 -0.81 -0.38 0.02 -1.26 -1.14 135.00 132.88 3i56 s PRO 8 Ca 0.06 1.75 -0.20 0.00 0.02 0.00 0.00 61.00 62.63 3i56 s PRO 8 Cb -0.01 -3.27 0.11 0.00 0.02 0.00 0.00 34.50 31.35 3i56 s PRO 8 CO -0.07 0.05 1.05 -1.58 -0.33 0.00 0.00 177.00 176.12 3i56 s HIS 9 N -0.25 2.94 -0.39 6.54 2.46 -0.21 -4.79 115.29 121.59 3i56 s HIS 9 Ca 0.50 -1.05 -0.11 0.00 0.47 0.00 0.00 55.06 54.87 3i56 s HIS 9 Cb -0.30 -4.28 0.05 0.00 -0.13 0.00 0.00 32.58 27.92 3i56 s HIS 9 CO 0.36 -1.55 0.23 0.54 -2.47 0.00 0.00 174.74 171.85 3i56 s VAL 10 N 3.24 4.52 0.30 0.89 0.11 -1.26 -4.56 120.40 123.64 3i56 s VAL 10 Ca 0.28 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3i56 s VAL 10 Cb -0.10 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 3i56 s VAL 10 CO -0.01 -0.34 0.29 0.42 -3.33 0.00 0.00 175.10 172.13 3i56 s THR 11 N 1.52 0.00 0.24 5.04 -4.23 -1.26 -5.03 115.64 111.92 3i56 s THR 11 Ca 0.02 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 3i56 s THR 11 Cb -0.21 -2.52 0.16 0.00 1.34 0.00 0.00 72.50 71.27 3i56 s THR 11 CO 0.05 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 175.60 3i56 h GLU 12 N 2.23 1.06 0.00 3.99 5.08 -1.99 -1.71 114.58 123.24 3i56 h GLU 12 Ca -0.28 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 3i56 h GLU 12 Cb 1.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3i56 h GLU 12 CO 0.40 0.88 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.87 3i56 h LYS 13 N 1.03 0.00 0.04 2.33 3.64 -1.98 -2.09 116.57 119.54 3i56 h LYS 13 Ca 0.23 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 3i56 h LYS 13 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3i56 h LYS 13 CO -0.01 0.21 -1.01 0.00 -2.27 0.00 0.00 179.45 176.36 3i56 h ALA 14 N 1.79 0.36 -0.17 5.00 0.00 -1.72 -2.81 119.26 121.72 3i56 h ALA 14 Ca -0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 54.91 53.92 3i56 h ALA 14 Cb 0.77 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i56 h ALA 14 CO 0.03 1.01 -0.62 0.52 0.00 0.00 0.00 179.25 180.18 3i56 h MET 15 N 0.08 0.59 -0.40 0.00 2.86 -0.96 -2.04 114.93 115.06 3i56 h MET 15 Ca -0.06 -0.41 -0.10 0.00 -2.06 0.00 0.00 59.70 57.07 3i56 h MET 15 Cb 1.70 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.40 3i56 h MET 15 CO 0.15 1.03 -0.16 -0.91 1.06 0.00 0.00 176.91 178.08 3i56 h ASN 16 N 0.44 0.73 1.12 1.22 2.35 -1.40 0.47 115.58 120.51 3i56 h ASN 16 Ca -0.01 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.44 3i56 h ASN 16 Cb 1.19 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3i56 h ASN 16 CO 0.12 0.90 -0.30 0.44 -1.65 0.00 0.00 177.43 176.94 3i56 h ASP 17 N 0.66 0.00 0.15 5.81 5.19 -1.43 -1.90 116.42 124.90 3i56 h ASP 17 Ca 0.10 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.29 3i56 h ASP 17 Cb 0.64 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.17 3i56 h ASP 17 CO 0.04 0.30 -1.03 -0.03 -3.12 0.00 0.00 179.24 175.41 3i56 h MET 18 N 0.00 0.31 -0.01 3.56 4.05 -0.69 0.24 114.93 122.39 3i56 h MET 18 Ca -0.00 -0.53 -0.10 0.00 -0.28 0.00 0.00 59.70 58.79 3i56 h MET 18 Cb 0.95 0.20 0.01 0.00 -0.80 0.00 0.00 31.60 31.95 3i56 h MET 18 CO 0.04 1.25 -0.38 -0.44 0.23 0.00 0.00 176.91 177.62 3i56 h ASP 19 N -0.31 0.34 0.22 1.39 3.32 -0.96 -3.26 116.42 117.16 3i56 h ASP 19 Ca -0.19 -0.76 -0.34 0.00 0.02 0.00 0.00 57.03 55.76 3i56 h ASP 19 Cb 1.72 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 41.11 3i56 h ASP 19 CO 0.14 1.06 -2.07 0.49 -1.72 0.00 0.00 179.24 177.14 3i56 n PHE 20 N -4.40 0.58 0.23 4.55 0.99 -0.72 -4.62 117.46 114.08 3i56 n PHE 20 Ca -0.10 0.18 0.04 0.00 -0.00 0.00 0.00 57.45 57.57 3i56 n PHE 20 Cb 0.56 -1.10 0.05 0.00 -1.00 0.00 0.00 39.48 37.99 3i56 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3i56 n GLN 21 N -3.02 0.61 -3.50 -1.08 6.02 -0.99 -5.01 117.38 110.40 3i56 n GLN 21 Ca -0.28 -1.13 -0.21 0.00 -0.01 0.00 0.00 57.00 55.38 3i56 n GLN 21 Cb 1.08 -1.15 0.08 0.00 1.02 0.00 0.00 30.24 31.27 3i56 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i56 n ASN 22 N 0.38 -4.72 -4.33 1.08 5.15 -0.58 -4.85 115.26 107.40 3i56 n ASN 22 Ca 0.05 -0.55 -0.32 0.00 -0.60 0.00 0.00 54.58 53.16 3i56 n ASN 22 Cb 0.23 -4.93 -0.15 0.00 -0.53 0.00 0.00 39.78 34.40 3i56 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i56 s LYS 23 N -5.92 2.86 -0.16 1.20 1.02 0.74 -1.86 119.74 117.62 3i56 s LYS 23 Ca 0.36 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.51 3i56 s LYS 23 Cb -0.16 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3i56 s LYS 23 CO 0.71 0.34 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.94 3i56 s LEU 24 N -0.04 3.28 -0.17 3.17 1.43 0.92 -2.78 118.68 124.49 3i56 s LEU 24 Ca -0.05 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3i56 s LEU 24 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3i56 s LEU 24 CO 0.05 0.16 0.10 -1.10 0.23 0.00 0.00 176.35 175.78 3i56 s GLN 25 N 0.44 3.92 0.11 1.70 -0.21 -1.26 -0.72 119.66 123.64 3i56 s GLN 25 Ca -0.03 -0.26 0.06 0.00 0.02 0.00 0.00 55.36 55.15 3i56 s GLN 25 Cb -0.14 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 3i56 s GLN 25 CO 0.03 0.39 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.37 3i56 s PHE 26 N 0.06 1.46 -0.41 0.91 0.40 0.08 -1.04 117.98 119.44 3i56 s PHE 26 Ca 0.08 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 55.78 3i56 s PHE 26 Cb -0.12 -0.78 0.04 0.00 0.51 0.00 0.00 43.02 42.67 3i56 s PHE 26 CO -0.00 0.15 0.28 0.00 0.70 0.00 0.00 175.22 176.35 3i56 s ALA 27 N -1.74 3.39 0.50 5.36 0.00 -0.29 -0.41 121.76 128.58 3i56 s ALA 27 Ca 0.06 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.25 3i56 s ALA 27 Cb -0.07 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.29 3i56 s ALA 27 CO 0.03 -1.51 0.46 0.14 0.00 0.00 0.00 175.76 174.88 3i56 s VAL 28 N 1.59 2.13 0.23 0.00 -7.23 0.12 -1.81 120.40 115.43 3i56 s VAL 28 Ca 0.03 -1.35 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 3i56 s VAL 28 Cb -0.21 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 3i56 s VAL 28 CO 0.07 0.00 1.08 -0.62 -0.31 0.00 0.00 175.10 175.32 3i56 s ASP 29 N -4.28 7.31 0.12 4.85 -1.08 -0.77 -2.76 116.67 120.06 3i56 s ASP 29 Ca 0.44 2.16 0.11 0.00 -0.52 0.00 0.00 52.55 54.73 3i56 s ASP 29 Cb -0.03 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 39.34 3i56 s ASP 29 CO 0.27 -0.14 1.33 -0.90 0.52 0.00 0.00 175.17 176.24 3i56 n ASP 30 N 1.74 0.23 -0.14 -0.34 5.75 -1.26 -1.70 116.55 120.83 3i56 n ASP 30 Ca 0.00 0.59 0.11 0.00 -0.01 0.00 0.00 54.79 55.49 3i56 n ASP 30 Cb 0.46 -0.63 0.08 0.00 -1.03 0.00 0.00 41.12 40.00 3i56 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i56 n ARG 31 N -1.80 0.39 -2.82 0.11 1.74 -1.26 -4.92 116.66 108.10 3i56 n ARG 31 Ca 0.00 -0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.38 3i56 n ARG 31 Cb 0.05 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 3i56 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i56 s ALA 32 N -2.81 3.26 0.82 7.54 0.00 -0.69 -5.07 121.76 124.81 3i56 s ALA 32 Ca 0.14 0.37 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 3i56 s ALA 32 Cb 0.17 -3.23 0.12 0.00 0.00 0.00 0.00 23.12 20.18 3i56 s ALA 32 CO 0.71 -0.27 1.15 -1.54 0.00 0.00 0.00 175.76 175.82 3i56 s SER 33 N 0.97 4.10 0.20 0.00 1.04 -1.26 -4.88 113.70 113.87 3i56 s SER 33 Ca 0.46 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 57.14 3i56 s SER 33 Cb -0.19 -0.72 0.14 0.00 0.10 0.00 0.00 66.02 65.35 3i56 s SER 33 CO 0.23 -2.09 1.82 0.11 0.98 0.00 0.00 173.24 174.29 3i56 h LYS 34 N -1.05 1.02 0.00 4.02 1.57 -1.97 -1.64 116.57 118.52 3i56 h LYS 34 Ca -0.44 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.16 3i56 h LYS 34 Cb 1.28 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3i56 h LYS 34 CO 0.51 0.76 -0.34 0.78 -0.57 0.00 0.00 179.45 180.59 3i56 h GLY 35 N 1.01 0.00 1.68 3.86 0.00 -1.98 -0.61 103.07 107.03 3i56 h GLY 35 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.34 3i56 h GLY 35 CO -0.04 0.00 -1.10 0.83 0.00 0.00 0.00 176.54 176.23 3i56 h GLU 36 N 0.00 0.25 -0.14 4.80 5.08 -1.86 -2.57 114.58 120.15 3i56 h GLU 36 Ca -0.00 -0.37 -0.20 0.00 -1.00 0.00 0.00 59.36 57.79 3i56 h GLU 36 Cb 0.75 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3i56 h GLU 36 CO 0.04 1.13 -0.71 0.28 -1.00 0.00 0.00 179.01 178.76 3i56 h VAL 37 N 0.10 1.32 0.10 3.13 2.07 -1.06 -2.80 116.25 119.11 3i56 h VAL 37 Ca -0.10 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.43 3i56 h VAL 37 Cb 1.80 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 3i56 h VAL 37 CO 0.18 0.62 -0.05 0.00 0.02 0.00 0.00 177.57 178.34 3i56 h ALA 38 N 0.78 -0.13 -0.35 1.67 0.00 -1.12 -2.66 119.26 117.44 3i56 h ALA 38 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i56 h ALA 38 Cb 1.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3i56 h ALA 38 CO 0.14 -0.52 0.22 -0.44 0.00 0.00 0.00 179.25 178.65 3i56 h ASP 39 N -0.25 0.37 -0.88 0.00 3.32 -1.50 -2.75 116.42 114.74 3i56 h ASP 39 Ca -0.01 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.07 3i56 h ASP 39 Cb 0.20 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3i56 h ASP 39 CO 0.02 0.27 0.57 0.00 -1.72 0.00 0.00 179.24 178.38 3i56 h ALA 40 N 1.14 1.17 -0.34 3.45 0.00 -1.46 -2.06 119.26 121.17 3i56 h ALA 40 Ca 0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3i56 h ALA 40 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3i56 h ALA 40 CO -0.04 0.40 -0.20 0.28 0.00 0.00 0.00 179.25 179.68 3i56 h VAL 41 N 1.09 1.26 0.00 0.00 2.07 -1.29 -1.41 116.25 117.97 3i56 h VAL 41 Ca 0.36 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 3i56 h VAL 41 Cb 0.04 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3i56 h VAL 41 CO -0.13 0.41 -0.44 -0.33 0.02 0.00 0.00 177.57 177.11 3i56 h GLU 42 N 0.57 0.00 0.07 1.57 5.08 -1.10 -2.13 114.58 118.64 3i56 h GLU 42 Ca 0.09 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.14 3i56 h GLU 42 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3i56 h GLU 42 CO 0.05 0.44 -1.61 0.93 -1.00 0.00 0.00 179.01 177.81 3i56 h GLU 43 N 0.00 0.15 0.00 2.33 5.08 -1.07 -2.37 114.58 118.70 3i56 h GLU 43 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3i56 h GLU 43 Cb 0.88 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3i56 h GLU 43 CO 0.06 0.93 -0.70 1.96 -1.00 0.00 0.00 179.01 180.26 3i56 h GLN 44 N 0.04 0.00 0.00 2.33 1.08 -1.28 -3.39 115.11 113.89 3i56 h GLN 44 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3i56 h GLN 44 Cb 2.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.43 3i56 h GLN 44 CO 0.12 0.00 -0.01 0.66 -0.95 0.00 0.00 178.83 178.65 3i56 n TYR 45 N -2.55 0.00 -3.28 2.96 4.02 -0.80 -5.06 117.16 112.45 3i56 n TYR 45 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 3i56 n TYR 45 Cb 0.51 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.88 3i56 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3i56 n ASP 46 N -0.82 -6.68 -3.25 7.72 4.64 -0.89 -5.04 116.55 112.23 3i56 n ASP 46 Ca 0.00 -0.63 -0.19 0.00 -1.38 0.00 0.00 54.79 52.58 3i56 n ASP 46 Cb 0.00 -4.95 -0.06 0.00 -1.04 0.00 0.00 41.12 35.07 3i56 n ASP 46 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3i56 n VAL 47 N -3.07 0.00 -4.04 5.18 0.24 -1.24 -5.08 118.33 110.33 3i56 n VAL 47 Ca -0.06 -2.01 -0.32 0.00 -2.04 0.00 0.00 64.34 59.91 3i56 n VAL 47 Cb 0.59 0.83 -0.15 0.00 -1.47 0.00 0.00 33.84 33.64 3i56 n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i56 s THR 48 N -2.95 1.98 -0.14 3.34 2.01 -1.26 -4.63 115.64 114.00 3i56 s THR 48 Ca 0.23 -1.46 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 3i56 s THR 48 Cb 0.01 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 3i56 s THR 48 CO 0.17 0.00 0.83 -0.69 -0.69 0.00 0.00 174.62 174.24 3i56 s VAL 49 N 1.20 4.90 -0.18 3.82 1.01 -1.26 -1.57 120.40 128.32 3i56 s VAL 49 Ca -0.07 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 3i56 s VAL 49 Cb -0.19 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 3i56 s VAL 49 CO -0.06 0.07 0.02 -0.62 0.00 0.00 0.00 175.10 174.51 3i56 n GLU 50 N 4.88 0.51 -3.86 2.72 -0.58 0.15 -4.95 120.64 119.51 3i56 n GLU 50 Ca 0.04 0.54 -0.11 0.00 -0.42 0.00 0.00 57.16 57.21 3i56 n GLU 50 Cb 0.49 -1.71 -0.11 0.00 -0.57 0.00 0.00 31.44 29.54 3i56 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3i56 s GLN 51 N -2.32 0.38 -0.02 3.49 0.74 -1.22 -5.02 119.66 115.69 3i56 s GLN 51 Ca -0.23 -0.21 0.06 0.00 0.05 0.00 0.00 55.36 55.03 3i56 s GLN 51 Cb 0.04 0.16 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 3i56 s GLN 51 CO 0.42 -0.08 -0.19 0.08 -0.55 0.00 0.00 175.29 174.97 3i56 s VAL 52 N -0.91 1.54 -0.09 1.34 1.01 -1.26 -0.56 120.40 121.47 3i56 s VAL 52 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3i56 s VAL 52 Cb -0.06 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3i56 s VAL 52 CO 0.01 0.44 -0.10 0.20 0.00 0.00 0.00 175.10 175.64 3i56 s ASN 53 N -0.37 1.96 0.35 3.32 0.01 -0.36 -4.97 114.94 114.87 3i56 s ASN 53 Ca 0.05 -0.30 0.08 0.00 -0.71 0.00 0.00 52.86 51.98 3i56 s ASN 53 Cb -0.08 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 3i56 s ASN 53 CO -0.00 -0.03 0.16 0.42 -1.51 0.00 0.00 177.10 176.13 3i56 s THR 54 N 1.13 3.00 -0.27 1.60 -4.23 -1.26 0.17 115.64 115.77 3i56 s THR 54 Ca -0.06 -1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 58.57 3i56 s THR 54 Cb -0.14 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.78 3i56 s THR 54 CO -0.02 -0.17 0.71 -1.58 -0.54 0.00 0.00 174.62 173.02 3i56 s GLN 55 N -3.86 0.78 -0.43 3.99 0.74 -0.44 -5.00 119.66 115.44 3i56 s GLN 55 Ca 0.38 1.10 -0.19 0.00 0.05 0.00 0.00 55.36 56.70 3i56 s GLN 55 Cb -0.02 0.28 0.02 0.00 1.10 0.00 0.00 33.01 34.39 3i56 s GLN 55 CO 0.23 -0.12 0.56 -0.80 -0.55 0.00 0.00 175.29 174.61 3i56 s ASN 56 N 0.97 6.28 0.71 6.67 0.01 -1.26 -0.04 114.94 128.27 3i56 s ASN 56 Ca -0.05 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.55 3i56 s ASN 56 Cb -0.05 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.34 3i56 s ASN 56 CO -0.09 -0.69 1.07 -0.89 -1.51 0.00 0.00 177.10 174.98 3i56 s THR 57 N 2.55 3.88 -0.30 1.60 2.01 -0.26 -4.94 115.64 120.19 3i56 s THR 57 Ca 0.19 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.80 3i56 s THR 57 Cb -0.15 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3i56 s THR 57 CO 0.17 -0.80 0.79 0.23 -0.69 0.00 0.00 174.62 174.32 3i56 n MET 58 N -3.12 0.93 0.00 4.92 2.81 -1.26 -2.34 117.12 119.06 3i56 n MET 58 Ca 0.07 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.97 3i56 n MET 58 Cb 0.55 -1.16 -0.01 0.00 -0.71 0.00 0.00 33.22 31.88 3i56 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i56 n ASP 59 N 0.38 0.38 0.00 7.83 10.43 -1.26 -4.98 116.55 129.33 3i56 n ASP 59 Ca 0.00 -0.69 0.00 0.00 2.57 0.00 0.00 54.79 56.67 3i56 n ASP 59 Cb 0.40 0.76 0.00 0.00 1.84 0.00 0.00 41.12 44.12 3i56 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i56 n GLY 60 N 0.85 0.95 3.82 0.44 0.00 -0.99 -5.04 105.19 105.21 3i56 n GLY 60 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3i56 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 61 N -0.44 2.78 -0.19 1.61 2.02 -1.26 -4.86 118.70 118.36 3i56 s GLU 61 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.73 3i56 s GLU 61 Cb 0.00 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 3i56 s GLU 61 CO 0.00 0.26 0.04 0.21 0.02 0.00 0.00 175.26 175.79 3i56 s LYS 62 N -3.89 3.82 -0.21 1.61 2.20 -1.11 -1.10 119.74 121.05 3i56 s LYS 62 Ca 0.36 -0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 55.45 3i56 s LYS 62 Cb -0.07 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 3i56 s LYS 62 CO 0.25 0.16 0.16 0.21 -0.36 0.00 0.00 175.35 175.77 3i56 s LYS 63 N 0.66 4.14 -0.17 4.03 2.20 0.95 0.11 119.74 131.66 3i56 s LYS 63 Ca 0.02 -0.20 -0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3i56 s LYS 63 Cb -0.14 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3i56 s LYS 63 CO 0.02 0.18 -0.15 0.00 -0.36 0.00 0.00 175.35 175.05 3i56 s ALA 64 N 0.70 2.51 -0.50 3.13 0.00 0.46 -1.33 121.76 126.73 3i56 s ALA 64 Ca 0.09 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 3i56 s ALA 64 Cb -0.12 -1.28 0.10 0.00 0.00 0.00 0.00 23.12 21.82 3i56 s ALA 64 CO 0.01 -0.14 0.43 0.08 0.00 0.00 0.00 175.76 176.14 3i56 s VAL 65 N 0.98 5.12 -0.25 0.00 1.01 0.13 -0.74 120.40 126.65 3i56 s VAL 65 Ca -0.02 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 3i56 s VAL 65 Cb -0.15 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3i56 s VAL 65 CO -0.03 -0.70 0.18 -0.69 0.00 0.00 0.00 175.10 173.86 3i56 s VAL 66 N 1.60 5.34 -0.17 2.92 1.01 0.10 -1.22 120.40 129.98 3i56 s VAL 66 Ca 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 3i56 s VAL 66 Cb -0.26 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3i56 s VAL 66 CO 0.05 0.32 0.17 -0.60 0.00 0.00 0.00 175.10 175.03 3i56 s ARG 67 N 1.21 4.05 0.47 2.72 3.52 0.27 -0.06 118.95 131.14 3i56 s ARG 67 Ca 0.08 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 3i56 s ARG 67 Cb -0.14 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3i56 s ARG 67 CO 0.06 0.39 0.66 -0.51 -0.81 0.00 0.00 175.30 175.09 3i56 s LEU 68 N 0.08 3.52 0.83 -0.88 1.43 -0.78 -0.67 118.68 122.21 3i56 s LEU 68 Ca 0.11 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3i56 s LEU 68 Cb -0.12 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.36 3i56 s LEU 68 CO 0.01 -0.88 1.19 -0.94 0.23 0.00 0.00 176.35 175.95 3i56 s SER 69 N -4.34 4.31 0.52 2.29 1.04 -0.61 -4.66 113.70 112.25 3i56 s SER 69 Ca 0.54 0.68 0.28 0.00 0.48 0.00 0.00 55.95 57.93 3i56 s SER 69 Cb -0.10 -1.11 1.42 0.00 0.10 0.00 0.00 66.02 66.32 3i56 s SER 69 CO 0.36 -2.02 2.04 -0.33 0.98 0.00 0.00 173.24 174.27 3i56 h GLU 70 N -1.12 0.00 -0.03 4.02 5.08 -1.99 -2.35 114.58 118.20 3i56 h GLU 70 Ca -0.46 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 3i56 h GLU 70 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3i56 h GLU 70 CO 0.61 0.12 -0.54 -0.44 -1.00 0.00 0.00 179.01 177.76 3i56 h ASP 71 N 0.00 0.09 -2.87 1.42 3.32 -1.97 -3.43 116.42 112.98 3i56 h ASP 71 Ca -0.00 -0.05 -0.67 0.00 0.02 0.00 0.00 57.03 56.34 3i56 h ASP 71 Cb 0.40 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.83 3i56 h ASP 71 CO 0.02 0.61 -0.52 -1.81 -1.72 0.00 0.00 179.24 175.82 3i56 s ASP 72 N -6.88 6.06 -0.25 6.45 1.01 -0.88 -5.09 116.67 117.09 3i56 s ASP 72 Ca -0.03 0.36 -0.05 0.00 0.71 0.00 0.00 52.55 53.55 3i56 s ASP 72 Cb 0.13 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 42.14 3i56 s ASP 72 CO 0.76 0.38 0.00 -0.62 0.21 0.00 0.00 175.17 175.90 3i56 s ASP 73 N -0.84 4.64 0.48 0.27 -1.08 -1.26 -4.57 116.67 114.31 3i56 s ASP 73 Ca 0.14 -0.57 0.18 0.00 -0.52 0.00 0.00 52.55 51.78 3i56 s ASP 73 Cb -0.12 -1.79 1.16 0.00 -1.46 0.00 0.00 42.92 40.71 3i56 s ASP 73 CO 0.03 -0.10 2.04 0.00 0.52 0.00 0.00 175.17 177.66 3i56 h ALA 74 N 8.14 1.64 -0.43 3.66 0.00 -1.86 -2.50 119.26 127.91 3i56 h ALA 74 Ca -0.36 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3i56 h ALA 74 Cb 1.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3i56 h ALA 74 CO 0.59 0.18 -0.28 1.96 0.00 0.00 0.00 179.25 181.71 3i56 h GLN 75 N 0.00 0.93 -0.15 0.00 4.20 -1.95 -2.51 115.11 115.62 3i56 h GLN 75 Ca -0.00 -0.42 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 3i56 h GLN 75 Cb 0.28 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3i56 h GLN 75 CO 0.02 1.08 -0.55 0.93 -0.67 0.00 0.00 178.83 179.65 3i56 h GLU 76 N 0.78 0.45 -0.17 1.46 5.08 -1.87 -2.61 114.58 117.70 3i56 h GLU 76 Ca 0.09 -0.28 -0.21 0.00 -1.00 0.00 0.00 59.36 57.96 3i56 h GLU 76 Cb 0.85 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.14 3i56 h GLU 76 CO 0.08 0.88 -0.71 0.28 -1.00 0.00 0.00 179.01 178.53 3i56 h VAL 77 N 0.34 1.29 0.00 3.13 2.07 -1.42 -3.22 116.25 118.45 3i56 h VAL 77 Ca 0.01 -1.94 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 3i56 h VAL 77 Cb 1.07 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3i56 h VAL 77 CO 0.10 0.61 -0.40 0.00 0.02 0.00 0.00 177.57 177.90 3i56 h ALA 78 N 0.67 0.89 -0.06 1.67 0.00 -1.46 -3.26 119.26 117.71 3i56 h ALA 78 Ca -0.03 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 3i56 h ALA 78 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i56 h ALA 78 CO 0.14 0.50 -0.72 0.66 0.00 0.00 0.00 179.25 179.83 3i56 h SER 79 N 0.00 0.37 1.02 0.00 4.64 -1.48 -3.26 113.55 114.85 3i56 h SER 79 Ca -0.00 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 3i56 h SER 79 Cb 1.04 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3i56 h SER 79 CO 0.05 0.97 -0.27 0.08 -0.87 0.00 0.00 176.83 176.80 3i56 h ARG 80 N 0.21 0.00 -0.01 4.77 0.11 -1.60 -3.52 114.38 114.34 3i56 h ARG 80 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3i56 h ARG 80 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3i56 h ARG 80 CO 0.12 0.27 0.00 0.44 0.10 0.00 0.00 179.97 180.90