#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg5 s SER 2 N 0.00 4.80 0.05 3.17 0.15 -1.26 -5.00 113.70 115.61 1sg5 s SER 2 Ca 0.00 -0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.64 1sg5 s SER 2 Cb 0.00 -1.73 -0.21 0.00 -1.71 0.00 0.00 66.02 62.37 1sg5 s SER 2 CO 0.00 0.19 0.99 0.24 1.20 0.00 0.00 173.24 175.86 1sg5 h MET 3 N 6.54 0.00 -7.19 5.44 2.86 -2.12 -3.47 114.93 116.99 1sg5 h MET 3 Ca -0.33 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.79 1sg5 h MET 3 Cb 1.19 0.00 0.20 0.00 0.06 0.00 0.00 31.60 33.05 1sg5 h MET 3 CO 0.62 0.74 0.09 0.09 1.06 0.00 0.00 176.91 179.51 1sg5 n ASN 4 N -3.20 -0.05 -4.88 1.22 3.02 -1.26 -5.00 115.26 105.11 1sg5 n ASN 4 Ca -0.08 0.41 -0.30 0.00 -0.03 0.00 0.00 54.58 54.58 1sg5 n ASN 4 Cb 0.99 -1.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1sg5 n ASN 4 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1sg5 s ASP 5 N -2.52 6.54 0.00 6.41 1.01 -1.26 -4.97 116.67 121.87 1sg5 s ASP 5 Ca 0.65 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1sg5 s ASP 5 Cb -0.23 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1sg5 s ASP 5 CO 0.59 -0.21 0.54 1.07 0.21 0.00 0.00 175.17 177.37 1sg5 n THR 6 N -0.75 0.00 -3.73 -1.27 5.66 -1.26 -5.09 114.28 107.83 1sg5 n THR 6 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1sg5 n THR 6 Cb 0.53 0.25 -0.11 0.00 -1.55 0.00 0.00 70.33 69.45 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1sg5 s TYR 7 N 0.00 3.47 -0.03 1.09 2.02 -1.26 -5.09 117.35 117.56 1sg5 s TYR 7 Ca 0.00 -2.09 -0.11 0.00 -0.37 0.00 0.00 57.07 54.50 1sg5 s TYR 7 Cb 0.00 -3.05 -0.05 0.00 -0.40 0.00 0.00 41.96 38.46 1sg5 s TYR 7 CO 0.00 -0.93 0.31 -0.65 -1.57 0.00 0.00 175.55 172.71 1sg5 s GLN 8 N 1.24 3.71 0.53 -0.62 1.11 -1.26 -4.92 119.66 119.45 1sg5 s GLN 8 Ca 0.05 0.16 0.29 0.00 0.01 0.00 0.00 55.36 55.87 1sg5 s GLN 8 Cb -0.23 -3.17 1.51 0.00 -1.01 0.00 0.00 33.01 30.11 1sg5 s GLN 8 CO -0.02 0.70 2.09 -1.35 0.01 0.00 0.00 175.29 176.72 1sg5 h PRO 9 N 4.60 0.00 0.00 2.91 0.11 -1.90 -3.43 132.00 134.28 1sg5 h PRO 9 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sg5 h PRO 9 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sg5 h PRO 9 CO 0.61 0.10 0.00 -0.89 -0.21 0.00 0.00 178.00 177.61 1sg5 n ILE 10 N -3.58 0.00 -3.34 4.15 5.41 -1.26 -3.72 119.36 117.01 1sg5 n ILE 10 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.38 1sg5 n ILE 10 Cb 0.23 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.10 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1sg5 s ASN 11 N -1.29 6.81 0.40 4.38 2.20 -1.26 -3.74 114.94 122.44 1sg5 s ASN 11 Ca 0.00 1.09 0.00 0.00 -0.94 0.00 0.00 52.86 53.01 1sg5 s ASN 11 Cb 0.00 -2.29 0.03 0.00 -2.00 0.00 0.00 41.25 36.98 1sg5 s ASN 11 CO 0.00 0.06 0.18 0.00 -2.94 0.00 0.00 177.10 174.41 1sg5 h ASP 13 N -0.09 -0.29 0.04 0.00 2.03 -1.98 -3.15 116.42 112.97 1sg5 h ASP 13 Ca -0.06 0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 56.13 1sg5 h ASP 13 Cb 0.23 0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1sg5 h ASP 13 CO 0.07 -0.07 -0.58 -2.24 -1.03 0.00 0.00 179.24 175.38 1sg5 h ASP 14 N -0.62 0.12 -0.18 4.15 2.03 -2.01 -3.32 116.42 116.59 1sg5 h ASP 14 Ca -0.04 -0.86 0.05 0.00 -0.73 0.00 0.00 57.03 55.45 1sg5 h ASP 14 Cb 0.26 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1sg5 h ASP 14 CO 0.06 1.25 0.47 0.22 -1.03 0.00 0.00 179.24 180.21 1sg5 h TYR 15 N -0.82 0.00 0.03 4.15 5.03 -1.99 0.59 116.97 123.96 1sg5 h TYR 15 Ca -0.14 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 60.96 1sg5 h TYR 15 Cb 1.26 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.53 1sg5 h TYR 15 CO 0.21 0.00 -0.96 0.22 -1.32 0.00 0.00 178.16 176.30 1sg5 h ASP 16 N 0.00 0.20 -0.10 -2.11 3.58 -1.64 -0.71 116.42 115.64 1sg5 h ASP 16 Ca 0.09 -0.19 -0.21 0.00 0.42 0.00 0.00 57.03 57.13 1sg5 h ASP 16 Cb 1.03 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.03 1sg5 h ASP 16 CO -0.00 1.05 -0.75 0.78 -2.88 0.00 0.00 179.24 177.44 1sg5 h ASN 17 N 0.07 0.88 0.47 2.28 4.21 0.05 -2.19 115.58 121.35 1sg5 h ASN 17 Ca -0.05 -0.57 -0.30 0.00 1.21 0.00 0.00 56.30 56.59 1sg5 h ASN 17 Cb 1.64 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 38.58 1sg5 h ASN 17 CO 0.14 1.36 -1.49 0.25 -1.29 0.00 0.00 177.43 176.40 1sg5 h LEU 18 N 0.52 0.41 -0.13 1.61 5.85 -1.54 -2.92 115.31 119.10 1sg5 h LEU 18 Ca -0.04 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 1sg5 h LEU 18 Cb 1.37 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1sg5 h LEU 18 CO 0.15 1.44 -0.18 1.05 -0.34 0.00 0.00 178.44 180.56 1sg5 h GLU 19 N 0.07 0.36 -0.19 1.25 -0.00 -1.21 0.64 114.58 115.49 1sg5 h GLU 19 Ca -0.23 -0.21 -0.15 0.00 -0.00 0.00 0.00 59.36 58.77 1sg5 h GLU 19 Cb 2.01 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 30.77 1sg5 h GLU 19 CO 0.17 0.78 -0.51 1.25 -0.00 0.00 0.00 179.01 180.70 1sg5 h LEU 20 N -0.04 0.58 0.00 3.06 7.12 -1.54 0.92 115.31 125.40 1sg5 h LEU 20 Ca 0.01 -0.30 -0.00 0.00 0.13 0.00 0.00 57.88 57.72 1sg5 h LEU 20 Cb 0.74 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1sg5 h LEU 20 CO 0.04 0.99 -0.03 0.00 -0.13 0.00 0.00 178.44 179.32 1sg5 h ALA 21 N 1.02 0.00 0.19 1.25 0.00 -1.56 0.80 119.26 120.97 1sg5 h ALA 21 Ca 0.02 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 1sg5 h ALA 21 Cb 1.04 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1sg5 h ALA 21 CO 0.10 0.02 -1.54 0.00 0.00 0.00 0.00 179.25 177.82 1sg5 h GLN 23 N 0.11 0.00 0.00 0.00 1.08 -0.07 -3.39 115.11 112.84 1sg5 h GLN 23 Ca -0.26 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.86 1sg5 h GLN 23 Cb 2.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.51 1sg5 h GLN 23 CO 0.21 0.55 -1.29 0.72 -0.95 0.00 0.00 178.83 178.08 1sg5 n HIS 24 N -3.13 0.00 -3.84 2.96 8.25 0.28 -4.73 115.22 115.01 1sg5 n HIS 24 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 1sg5 n HIS 24 Cb 0.86 -0.21 0.01 0.00 1.12 0.00 0.00 29.99 31.77 1sg5 n HIS 24 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1sg5 n HIS 25 N -2.18 -1.75 0.00 4.41 -0.00 0.28 -2.68 115.22 113.30 1sg5 n HIS 25 Ca -0.07 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1sg5 n HIS 25 Cb 0.64 -3.68 0.00 0.00 -0.12 0.00 0.00 29.99 26.83 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sg5 n LEU 26 N -4.34 0.00 -4.57 0.27 4.77 -1.07 -4.83 117.00 107.23 1sg5 n LEU 26 Ca -0.23 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 1sg5 n LEU 26 Cb 0.65 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1sg5 n LEU 26 CO 0.72 0.00 1.34 -0.04 -1.33 0.00 0.00 177.39 178.08 1sg5 s MET 27 N 0.00 3.19 0.23 3.23 -1.94 -1.09 -4.08 119.30 118.83 1sg5 s MET 27 Ca 0.00 0.57 0.10 0.00 -1.71 0.00 0.00 55.69 54.65 1sg5 s MET 27 Cb 0.00 -4.18 -0.04 0.00 2.01 0.00 0.00 34.83 32.62 1sg5 s MET 27 CO 0.00 -2.07 -0.11 -0.48 -0.01 0.00 0.00 175.02 172.35 1sg5 s LEU 28 N 6.66 2.89 -0.32 -0.03 2.34 -1.02 -4.80 118.68 124.41 1sg5 s LEU 28 Ca 0.57 -0.72 -0.02 0.00 0.06 0.00 0.00 54.13 54.02 1sg5 s LEU 28 Cb -0.12 -1.50 0.06 0.00 -0.56 0.00 0.00 46.19 44.07 1sg5 s LEU 28 CO 0.25 0.06 0.03 -0.89 -1.06 0.00 0.00 176.35 174.75 1sg5 s THR 29 N -2.04 3.01 -0.21 5.48 2.01 -0.78 -0.39 115.64 122.71 1sg5 s THR 29 Ca 0.27 -1.53 -0.16 0.00 0.31 0.00 0.00 61.69 60.58 1sg5 s THR 29 Cb -0.07 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1sg5 s THR 29 CO 0.16 -0.22 0.43 -0.22 -0.69 0.00 0.00 174.62 174.08 1sg5 s LEU 30 N 1.22 4.13 0.02 4.42 0.20 0.11 -0.05 118.68 128.73 1sg5 s LEU 30 Ca -0.02 0.52 0.07 0.00 0.69 0.00 0.00 54.13 55.39 1sg5 s LEU 30 Cb -0.20 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.98 1sg5 s LEU 30 CO -0.02 -0.13 -0.21 -1.83 -0.29 0.00 0.00 176.35 173.87 1sg5 s GLU 31 N 1.55 2.04 0.21 1.98 -1.05 0.64 -0.22 118.70 123.85 1sg5 s GLU 31 Ca 0.20 -0.98 0.08 0.00 -0.15 0.00 0.00 54.97 54.12 1sg5 s GLU 31 Cb -0.15 -2.12 -0.05 0.00 -0.44 0.00 0.00 34.13 31.37 1sg5 s GLU 31 CO 0.09 0.54 -0.15 -0.51 0.95 0.00 0.00 175.26 176.18 1sg5 s LEU 32 N -1.17 2.55 0.27 1.83 1.02 -0.68 -1.90 118.68 120.60 1sg5 s LEU 32 Ca 0.13 -1.01 0.19 0.00 0.02 0.00 0.00 54.13 53.46 1sg5 s LEU 32 Cb -0.10 -0.74 0.92 0.00 0.02 0.00 0.00 46.19 46.28 1sg5 s LEU 32 CO 0.03 -0.13 0.98 0.29 0.02 0.00 0.00 176.35 177.54 1sg5 n LYS 33 N -0.35 -0.03 0.00 1.70 5.02 -1.26 0.22 118.16 123.46 1sg5 n LYS 33 Ca -0.08 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1sg5 n LYS 33 Cb 0.60 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1sg5 n LYS 33 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sg5 n ASP 34 N -4.03 2.89 -2.99 4.39 -0.08 -1.26 -4.78 116.55 110.70 1sg5 n ASP 34 Ca 0.25 -1.96 -0.14 0.00 -1.51 0.00 0.00 54.79 51.43 1sg5 n ASP 34 Cb 0.95 -0.49 -0.01 0.00 2.34 0.00 0.00 41.12 43.90 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sg5 n GLY 35 N 0.50 -0.48 3.32 0.27 0.00 0.61 -4.87 105.19 104.53 1sg5 n GLY 35 Ca 0.00 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1sg5 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sg5 s GLU 36 N -5.56 2.87 0.02 1.61 2.02 -1.01 -4.84 118.70 113.80 1sg5 s GLU 36 Ca 0.21 -1.55 0.03 0.00 0.02 0.00 0.00 54.97 53.68 1sg5 s GLU 36 Cb -0.12 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.95 1sg5 s GLU 36 CO 0.26 -1.15 -0.03 -1.59 0.02 0.00 0.00 175.26 172.77 1sg5 s LYS 37 N 1.56 2.63 -0.14 1.61 0.00 -1.23 -1.68 119.74 122.48 1sg5 s LYS 37 Ca 0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 55.97 55.19 1sg5 s LYS 37 Cb -0.26 -2.57 0.04 0.00 0.00 0.00 0.00 37.83 35.04 1sg5 s LYS 37 CO 0.04 0.60 0.37 -0.48 0.00 0.00 0.00 175.35 175.88 1sg5 s LEU 38 N -1.60 0.37 0.20 2.77 -0.00 0.69 -4.88 118.68 116.22 1sg5 s LEU 38 Ca 0.19 0.77 -0.10 0.00 -0.00 0.00 0.00 54.13 54.99 1sg5 s LEU 38 Cb -0.11 1.24 -0.07 0.00 -0.00 0.00 0.00 46.19 47.25 1sg5 s LEU 38 CO 0.10 -0.15 0.52 -1.58 -0.00 0.00 0.00 176.35 175.24 1sg5 s GLN 39 N 0.66 3.82 -0.03 1.48 -0.44 -1.24 0.05 119.66 123.95 1sg5 s GLN 39 Ca -0.04 0.28 0.00 0.00 -2.50 0.00 0.00 55.36 53.10 1sg5 s GLN 39 Cb -0.05 -2.74 0.03 0.00 -1.64 0.00 0.00 33.01 28.61 1sg5 s GLN 39 CO -0.04 0.38 0.00 0.00 0.50 0.00 0.00 175.29 176.12 1sg5 s ALA 40 N -1.71 0.36 0.28 1.58 0.00 0.47 -4.92 121.76 117.82 1sg5 s ALA 40 Ca 0.44 0.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 1sg5 s ALA 40 Cb -0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1sg5 s ALA 40 CO 0.21 -0.12 0.97 0.21 0.00 0.00 0.00 175.76 177.02 1sg5 s LYS 41 N 1.15 4.71 0.59 0.00 2.20 -1.26 -2.42 119.74 124.70 1sg5 s LYS 41 Ca -0.08 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 1sg5 s LYS 41 Cb -0.13 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1sg5 s LYS 41 CO -0.02 0.37 0.00 0.00 -0.36 0.00 0.00 175.35 175.34 1sg5 n ALA 42 N 1.06 -1.97 0.00 3.13 0.00 -1.26 -4.16 120.51 117.31 1sg5 n ALA 42 Ca -0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sg5 n ALA 42 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1sg5 n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sg5 n SER 43 N -2.44 0.00 -3.63 0.00 3.41 -1.26 -3.05 113.62 106.64 1sg5 n SER 43 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1sg5 n SER 43 Cb 0.43 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1sg5 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sg5 s ASP 44 N 0.00 0.48 0.20 4.04 -1.08 -0.07 -4.85 116.67 115.39 1sg5 s ASP 44 Ca 0.00 -1.29 0.09 0.00 -0.52 0.00 0.00 52.55 50.83 1sg5 s ASP 44 Cb 0.00 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 42.01 1sg5 s ASP 44 CO 0.00 -1.18 -0.18 -0.22 0.52 0.00 0.00 175.17 174.11 1sg5 s LEU 45 N -3.16 2.50 -0.04 -1.34 0.20 -1.26 -0.16 118.68 115.42 1sg5 s LEU 45 Ca 0.29 -0.94 0.02 0.00 0.69 0.00 0.00 54.13 54.19 1sg5 s LEU 45 Cb 0.01 -0.88 0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1sg5 s LEU 45 CO 0.15 -0.04 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.41 1sg5 s VAL 46 N -2.35 0.74 -0.23 1.68 1.01 0.24 -4.83 120.40 116.65 1sg5 s VAL 46 Ca 0.21 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1sg5 s VAL 46 Cb -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1sg5 s VAL 46 CO 0.09 0.25 0.06 -0.94 0.00 0.00 0.00 175.10 174.56 1sg5 s SER 47 N 0.51 5.20 0.47 3.32 1.04 -1.26 -0.72 113.70 122.25 1sg5 s SER 47 Ca -0.08 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 55.99 1sg5 s SER 47 Cb -0.12 -1.92 -0.10 0.00 0.10 0.00 0.00 66.02 63.98 1sg5 s SER 47 CO 0.01 0.01 0.98 -0.13 0.98 0.00 0.00 173.24 175.08 1sg5 s ARG 48 N 1.37 4.06 0.62 4.02 1.81 0.77 -4.92 118.95 126.68 1sg5 s ARG 48 Ca 0.05 1.13 0.29 0.00 -1.72 0.00 0.00 55.73 55.48 1sg5 s ARG 48 Cb -0.15 -2.15 1.53 0.00 -0.45 0.00 0.00 34.95 33.73 1sg5 s ARG 48 CO 0.03 -0.18 1.90 0.87 -0.68 0.00 0.00 175.30 177.24 1sg5 h LYS 49 N 1.57 0.00 0.00 3.54 6.56 -2.04 -1.72 116.57 124.48 1sg5 h LYS 49 Ca -0.48 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 58.76 1sg5 h LYS 49 Cb 1.19 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.79 1sg5 h LYS 49 CO 0.61 0.00 -2.29 -1.71 -2.06 0.00 0.00 179.45 174.00 1sg5 n ASN 50 N -3.36 0.75 0.00 0.86 2.85 -1.26 -5.08 115.26 110.02 1sg5 n ASN 50 Ca 0.04 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1sg5 n ASN 50 Cb 0.53 0.70 0.00 0.00 1.24 0.00 0.00 39.78 42.25 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1sg5 n VAL 51 N -2.79 0.00 -3.72 3.44 0.24 -0.65 -5.04 118.33 109.82 1sg5 n VAL 51 Ca -0.33 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 1sg5 n VAL 51 Cb 1.08 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.31 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1sg5 s GLU 52 N 1.77 0.14 0.21 7.34 2.02 -1.26 -0.16 118.70 128.76 1sg5 s GLU 52 Ca 0.00 0.51 0.10 0.00 0.02 0.00 0.00 54.97 55.60 1sg5 s GLU 52 Cb 0.00 -0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.04 1sg5 s GLU 52 CO 0.00 -0.20 -0.19 0.71 0.02 0.00 0.00 175.26 175.61 1sg5 s TYR 53 N 1.49 2.01 0.01 1.61 2.02 0.10 -4.48 117.35 120.12 1sg5 s TYR 53 Ca -0.07 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1sg5 s TYR 53 Cb -0.11 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1sg5 s TYR 53 CO -0.07 0.48 0.13 -1.17 -1.57 0.00 0.00 175.55 173.35 1sg5 s LEU 54 N -3.07 4.12 -0.21 -1.29 2.96 -1.13 -0.59 118.68 119.47 1sg5 s LEU 54 Ca 0.22 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1sg5 s LEU 54 Cb -0.05 -2.51 0.06 0.00 0.50 0.00 0.00 46.19 44.20 1sg5 s LEU 54 CO 0.10 0.24 0.02 0.68 -1.32 0.00 0.00 176.35 176.07 1sg5 s VAL 55 N -1.30 0.79 -0.02 1.68 -7.23 0.77 -1.82 120.40 113.27 1sg5 s VAL 55 Ca 0.27 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 1sg5 s VAL 55 Cb -0.12 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1sg5 s VAL 55 CO 0.18 -0.22 -0.05 0.68 -0.31 0.00 0.00 175.10 175.38 1sg5 s VAL 56 N 1.73 3.78 -0.26 1.32 -7.23 -0.29 -0.89 120.40 118.55 1sg5 s VAL 56 Ca -0.01 -0.66 -0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1sg5 s VAL 56 Cb -0.18 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1sg5 s VAL 56 CO -0.09 0.44 0.69 -1.61 -0.31 0.00 0.00 175.10 174.22 1sg5 s GLU 57 N -1.30 4.09 -0.01 4.82 8.01 -1.17 -0.30 118.70 132.84 1sg5 s GLU 57 Ca 0.16 0.61 -0.03 0.00 0.01 0.00 0.00 54.97 55.73 1sg5 s GLU 57 Cb -0.11 -3.66 -0.00 0.00 -4.31 0.00 0.00 34.13 26.04 1sg5 s GLU 57 CO 0.07 -0.48 0.06 0.00 0.01 0.00 0.00 175.26 174.91 1sg5 s ALA 58 N 2.64 -0.13 0.00 5.21 0.00 0.01 -4.28 121.76 125.21 1sg5 s ALA 58 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1sg5 s ALA 58 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1sg5 s ALA 58 CO 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.73 1sg5 n ALA 59 N 2.22 0.00 0.00 0.00 0.00 -1.26 -2.29 120.51 119.18 1sg5 n ALA 59 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sg5 n ALA 59 Cb 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1sg5 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg5 n GLY 60 N -2.00 1.22 3.36 0.00 0.00 -1.26 -5.10 105.19 101.41 1sg5 n GLY 60 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sg5 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sg5 s GLU 61 N -0.23 1.13 0.27 1.61 2.02 -0.97 -5.15 118.70 117.38 1sg5 s GLU 61 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 1sg5 s GLU 61 Cb 0.00 0.46 -0.09 0.00 0.10 0.00 0.00 34.13 34.59 1sg5 s GLU 61 CO 0.00 -0.44 1.22 0.99 0.02 0.00 0.00 175.26 177.04 1sg5 s THR 62 N -3.85 3.19 0.05 3.63 2.01 -1.26 -0.81 115.64 118.60 1sg5 s THR 62 Ca 0.06 1.13 0.05 0.00 0.31 0.00 0.00 61.69 63.25 1sg5 s THR 62 Cb 0.02 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1sg5 s THR 62 CO -0.08 0.24 -0.15 -0.60 -0.69 0.00 0.00 174.62 173.33 1sg5 s ARG 63 N -1.18 1.01 -0.39 4.92 3.52 0.58 -4.86 118.95 122.55 1sg5 s ARG 63 Ca 0.49 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 1sg5 s ARG 63 Cb -0.35 -1.05 0.08 0.00 -1.56 0.00 0.00 34.95 32.07 1sg5 s ARG 63 CO 0.44 0.26 0.18 -2.00 -0.81 0.00 0.00 175.30 173.37 1sg5 s GLU 64 N -1.23 2.37 -0.05 5.12 2.12 -1.26 -1.14 118.70 124.63 1sg5 s GLU 64 Ca 0.02 -1.53 0.04 0.00 0.36 0.00 0.00 54.97 53.86 1sg5 s GLU 64 Cb -0.08 -3.59 -0.00 0.00 0.26 0.00 0.00 34.13 30.72 1sg5 s GLU 64 CO 0.02 -0.92 -0.17 -0.48 -0.54 0.00 0.00 175.26 173.17 1sg5 s LEU 65 N 1.29 1.91 0.00 2.70 2.34 -0.76 -4.65 118.68 121.51 1sg5 s LEU 65 Ca 0.03 -0.35 0.00 0.00 0.06 0.00 0.00 54.13 53.87 1sg5 s LEU 65 Cb -0.22 -0.97 0.00 0.00 -0.56 0.00 0.00 46.19 44.44 1sg5 s LEU 65 CO -0.01 0.15 0.00 -1.14 -1.06 0.00 0.00 176.35 174.29 1sg5 n ARG 66 N 3.19 0.00 0.08 1.48 0.63 -1.26 -2.82 116.66 117.96 1sg5 n ARG 66 Ca -0.18 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.88 1sg5 n ARG 66 Cb 0.53 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.90 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1sg5 n LEU 67 N 0.00 0.61 -0.68 6.15 -0.00 -1.26 -3.00 117.00 118.81 1sg5 n LEU 67 Ca 0.00 0.57 0.06 0.00 -0.00 0.00 0.00 56.01 56.64 1sg5 n LEU 67 Cb 0.00 -0.39 0.17 0.00 -0.00 0.00 0.00 43.42 43.20 1sg5 n LEU 67 CO 0.00 -0.19 0.64 0.47 -0.00 0.00 0.00 177.39 178.32 1sg5 n ASP 68 N -2.08 3.09 -3.12 1.45 8.00 -1.26 -5.00 116.55 117.63 1sg5 n ASP 68 Ca 0.05 -2.18 -0.02 0.00 0.71 0.00 0.00 54.79 53.35 1sg5 n ASP 68 Cb 0.38 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sg5 n LYS 69 N 0.32 -1.37 -2.36 -1.24 5.02 -1.16 -4.90 118.16 112.47 1sg5 n LYS 69 Ca 0.13 1.42 -0.42 0.00 -2.02 0.00 0.00 58.31 57.42 1sg5 n LYS 69 Cb 0.51 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.98 1sg5 n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1sg5 s ILE 70 N -3.02 3.90 0.02 -0.18 1.10 -1.26 -4.72 121.20 117.04 1sg5 s ILE 70 Ca 0.02 1.35 -0.05 0.00 -0.51 0.00 0.00 60.65 61.46 1sg5 s ILE 70 Cb -0.00 -3.86 -0.01 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.76 0.08 0.28 0.41 -2.11 0.00 0.00 174.94 174.37 1sg5 n THR 71 N 4.06 -0.10 -3.46 4.00 -1.04 -1.26 -3.06 114.28 113.42 1sg5 n THR 71 Ca 0.10 0.44 -0.13 0.00 -2.04 0.00 0.00 64.05 62.41 1sg5 n THR 71 Cb 0.45 -0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 68.38 1sg5 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sg5 s SER 72 N -4.51 -0.57 -0.07 8.00 1.04 -0.80 -1.70 113.70 115.08 1sg5 s SER 72 Ca -0.02 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 1sg5 s SER 72 Cb 0.02 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1sg5 s SER 72 CO 0.09 -0.82 -0.03 0.72 0.98 0.00 0.00 173.24 174.18 1sg5 s PHE 73 N -2.88 0.92 0.16 5.02 -0.71 0.29 -0.26 117.98 120.51 1sg5 s PHE 73 Ca -0.02 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.61 1sg5 s PHE 73 Cb -0.01 -0.89 -0.04 0.00 -1.21 0.00 0.00 43.02 40.88 1sg5 s PHE 73 CO -0.06 -0.34 -0.03 0.45 -1.34 0.00 0.00 175.22 173.90 1sg5 s SER 74 N 1.60 4.65 -0.03 1.98 0.15 0.93 -1.40 113.70 121.58 1sg5 s SER 74 Ca 0.00 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1sg5 s SER 74 Cb -0.13 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.24 1sg5 s SER 74 CO -0.04 0.11 -0.04 -2.28 1.20 0.00 0.00 173.24 172.19 1sg5 s HIS 75 N -1.61 0.64 -0.43 3.44 2.46 -0.70 -1.87 115.29 117.22 1sg5 s HIS 75 Ca 0.26 -0.15 -0.45 0.00 0.47 0.00 0.00 55.06 55.19 1sg5 s HIS 75 Cb -0.10 -0.55 -0.19 0.00 -0.13 0.00 0.00 32.58 31.61 1sg5 s HIS 75 CO 0.17 -0.14 1.65 -2.30 -2.47 0.00 0.00 174.74 171.66 1sg5 n PRO 76 N 3.79 0.37 -2.01 2.88 -0.02 -1.26 0.06 135.00 138.82 1sg5 n PRO 76 Ca -0.23 0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.18 1sg5 n PRO 76 Cb 0.52 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 1sg5 n PRO 76 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sg5 n GLU 77 N 4.47 -1.50 0.01 -0.52 4.07 -1.26 -4.83 120.64 121.07 1sg5 n GLU 77 Ca 0.30 1.08 0.00 0.00 -0.06 0.00 0.00 57.16 58.48 1sg5 n GLU 77 Cb 0.00 -5.57 0.00 0.00 -0.06 0.00 0.00 31.44 25.81 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1sg5 n ILE 78 N -3.27 0.25 0.00 6.31 2.08 0.11 -5.17 119.36 119.67 1sg5 n ILE 78 Ca -0.22 0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1sg5 n ILE 78 Cb 0.67 -1.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.49 1sg5 n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sg5 n GLY 79 N 3.38 -0.50 3.21 7.39 0.00 -1.06 -4.97 105.19 112.65 1sg5 n GLY 79 Ca 0.00 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 1sg5 n GLY 79 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sg5 s THR 80 N -1.93 2.01 -0.15 2.61 -1.32 -1.26 -1.71 115.64 113.88 1sg5 s THR 80 Ca 0.00 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1sg5 s THR 80 Cb 0.00 -1.74 -0.00 0.00 -1.51 0.00 0.00 72.50 69.25 1sg5 s THR 80 CO 0.00 0.55 -0.16 -0.69 -2.21 0.00 0.00 174.62 172.12 1sg5 s VAL 81 N 0.32 2.64 -0.12 5.08 1.01 -0.49 -4.86 120.40 123.98 1sg5 s VAL 81 Ca -0.18 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1sg5 s VAL 81 Cb -0.18 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1sg5 s VAL 81 CO 0.08 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 175.06 1sg5 s VAL 82 N 0.81 4.76 0.00 2.92 1.01 -1.23 -0.55 120.40 128.13 1sg5 s VAL 82 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1sg5 s VAL 82 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1sg5 s VAL 82 CO -0.00 0.58 0.00 0.55 0.00 0.00 0.00 175.10 176.23 1sg5 n VAL 83 N 2.42 0.00 -1.59 2.92 3.14 -0.69 -3.96 118.33 120.57 1sg5 n VAL 83 Ca -0.19 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.23 1sg5 n VAL 83 Cb 0.54 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.30 1sg5 n VAL 83 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1sg5 n SER 84 N 0.51 -8.56 -4.71 6.55 3.41 -1.24 -4.69 113.62 104.89 1sg5 n SER 84 Ca 0.00 1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 60.04 1sg5 n SER 84 Cb 0.00 -5.21 -0.03 0.00 -0.26 0.00 0.00 64.21 58.71 1sg5 n SER 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1sg5 s GLU 85 N -5.26 4.26 0.00 4.33 -1.05 -1.25 -4.96 118.70 114.77 1sg5 s GLU 85 Ca 0.00 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 57.01 1sg5 s GLU 85 Cb 0.00 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.36 1sg5 s GLU 85 CO 0.00 -0.56 0.00 -1.13 0.95 0.00 0.00 175.26 174.52