#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhh n ALA 3 N 0.00 1.15 -3.62 7.33 0.00 -1.26 -0.13 120.51 123.98 3dhh n ALA 3 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.58 3dhh n ALA 3 Cb 0.00 -2.27 -0.17 0.00 0.00 0.00 0.00 19.45 17.01 3dhh n ALA 3 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3dhh s PHE 4 N -0.18 0.34 0.10 0.00 5.36 0.89 -4.79 117.98 119.71 3dhh s PHE 4 Ca 0.66 -0.49 -0.30 0.00 -0.96 0.00 0.00 56.93 55.85 3dhh s PHE 4 Cb -0.64 -0.78 -0.06 0.00 -0.34 0.00 0.00 43.02 41.21 3dhh s PHE 4 CO 0.51 -0.58 0.97 -1.25 -1.46 0.00 0.00 175.22 173.42 3dhh s PRO 5 N 2.09 4.68 0.24 10.12 0.04 -1.26 -0.81 135.00 150.10 3dhh s PRO 5 Ca 0.03 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.59 3dhh s PRO 5 Cb -0.16 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 3dhh s PRO 5 CO -0.13 0.19 -0.08 0.14 0.04 0.00 0.00 177.00 177.15 3dhh s VAL 6 N 0.07 1.60 -0.18 -0.36 -7.23 -0.43 -0.13 120.40 113.74 3dhh s VAL 6 Ca 0.47 -2.15 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 3dhh s VAL 6 Cb -0.23 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 3dhh s VAL 6 CO 0.30 -0.42 0.01 -1.00 -0.31 0.00 0.00 175.10 173.67 3dhh s HIS 7 N -3.05 3.09 -0.08 2.82 3.76 -0.57 -1.06 115.29 120.21 3dhh s HIS 7 Ca 0.26 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.93 3dhh s HIS 7 Cb 0.02 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.67 3dhh s HIS 7 CO 0.09 -0.09 -0.15 0.00 -0.85 0.00 0.00 174.74 173.75 3dhh s ALA 8 N 0.68 1.50 -0.28 -1.40 0.00 0.14 -0.39 121.76 122.01 3dhh s ALA 8 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 3dhh s ALA 8 Cb -0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3dhh s ALA 8 CO 0.02 0.15 0.09 0.00 0.00 0.00 0.00 175.76 176.02 3dhh s ALA 9 N 0.60 3.12 -0.04 0.00 0.00 -0.15 -1.72 121.76 123.57 3dhh s ALA 9 Ca -0.15 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.30 3dhh s ALA 9 Cb -0.16 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 3dhh s ALA 9 CO 0.05 -0.76 0.49 0.12 0.00 0.00 0.00 175.76 175.66 3dhh s PHE 10 N 1.56 3.64 -0.15 0.00 2.19 -1.26 -1.28 117.98 122.68 3dhh s PHE 10 Ca 0.04 1.02 -0.38 0.00 0.33 0.00 0.00 56.93 57.95 3dhh s PHE 10 Cb -0.16 -2.48 -0.15 0.00 -1.31 0.00 0.00 43.02 38.92 3dhh s PHE 10 CO 0.03 0.39 1.70 -1.91 1.83 0.00 0.00 175.22 177.26 3dhh n GLU 11 N 2.74 1.46 -0.17 10.12 2.13 -0.40 -1.77 120.64 134.74 3dhh n GLU 11 Ca -0.09 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3dhh n GLU 11 Cb 0.52 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.97 3dhh n GLU 11 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3dhh n LYS 12 N 5.09 0.00 -1.89 5.31 5.02 -1.26 -5.00 118.16 125.42 3dhh n LYS 12 Ca 0.24 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 3dhh n LYS 12 Cb 0.19 -1.20 0.11 0.00 -0.02 0.00 0.00 35.03 34.11 3dhh n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dhh s ASP 13 N -3.28 4.13 0.00 4.39 2.15 -0.73 -4.90 116.67 118.43 3dhh s ASP 13 Ca 0.00 0.66 0.19 0.00 0.43 0.00 0.00 52.55 53.83 3dhh s ASP 13 Cb 0.00 -1.05 -0.08 0.00 -0.30 0.00 0.00 42.92 41.49 3dhh s ASP 13 CO 0.00 -2.13 0.89 2.22 -0.17 0.00 0.00 175.17 175.97 3dhh n PHE 14 N -3.45 0.00 -4.10 -5.34 1.16 -1.26 -4.96 117.46 99.51 3dhh n PHE 14 Ca 0.10 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.56 3dhh n PHE 14 Cb 0.61 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.41 3dhh n PHE 14 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3dhh s LEU 15 N -2.48 0.83 -0.12 5.98 2.34 -1.26 -5.15 118.68 118.82 3dhh s LEU 15 Ca 0.12 -1.25 -0.04 0.00 0.06 0.00 0.00 54.13 53.02 3dhh s LEU 15 Cb 0.15 1.15 -0.04 0.00 -0.56 0.00 0.00 46.19 46.89 3dhh s LEU 15 CO 0.58 -1.06 0.05 -0.69 -1.06 0.00 0.00 176.35 174.17 3dhh s VAL 16 N -3.84 4.73 0.14 1.48 1.01 -1.26 -4.37 120.40 118.29 3dhh s VAL 16 Ca 0.31 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.30 3dhh s VAL 16 Cb 0.02 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3dhh s VAL 16 CO 0.13 0.58 -0.20 -1.10 0.00 0.00 0.00 175.10 174.51 3dhh s GLN 17 N -0.63 1.21 -0.15 2.72 -0.21 -0.70 -4.91 119.66 117.00 3dhh s GLN 17 Ca 0.11 -1.30 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 3dhh s GLN 17 Cb -0.12 -1.38 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 3dhh s GLN 17 CO 0.02 0.30 1.35 -1.17 -2.12 0.00 0.00 175.29 173.67 3dhh s LEU 18 N -2.32 4.20 -0.11 2.90 2.96 -1.26 -0.69 118.68 124.37 3dhh s LEU 18 Ca 0.12 1.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.84 3dhh s LEU 18 Cb -0.08 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.09 3dhh s LEU 18 CO 0.06 -0.81 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.42 3dhh s VAL 19 N 3.64 1.61 -0.39 1.68 1.01 -0.22 -4.97 120.40 122.77 3dhh s VAL 19 Ca 0.59 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 3dhh s VAL 19 Cb -0.24 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3dhh s VAL 19 CO 0.18 0.46 0.52 -0.69 0.00 0.00 0.00 175.10 175.57 3dhh s VAL 20 N 0.82 4.99 0.14 2.92 1.01 -1.26 -1.31 120.40 127.71 3dhh s VAL 20 Ca -0.10 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3dhh s VAL 20 Cb -0.16 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.20 3dhh s VAL 20 CO 0.01 -0.36 0.13 1.33 0.00 0.00 0.00 175.10 176.21 3dhh n VAL 21 N 5.53 0.00 -4.74 2.92 0.24 0.01 -4.88 118.33 117.40 3dhh n VAL 21 Ca -0.05 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.42 3dhh n VAL 21 Cb 0.48 -0.58 -0.12 0.00 -1.47 0.00 0.00 33.84 32.15 3dhh n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dhh s ASP 22 N -1.81 4.21 0.37 -1.34 -1.08 -1.26 -0.08 116.67 115.68 3dhh s ASP 22 Ca 0.10 -0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.13 3dhh s ASP 22 Cb -0.01 -0.92 1.16 0.00 -1.46 0.00 0.00 42.92 41.70 3dhh s ASP 22 CO 0.07 0.33 1.67 0.25 0.52 0.00 0.00 175.17 178.00 3dhh h LEU 23 N 5.10 0.45 -2.90 -1.34 5.85 -0.84 -1.07 115.31 120.57 3dhh h LEU 23 Ca -0.47 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3dhh h LEU 23 Cb 1.16 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3dhh h LEU 23 CO 0.51 -0.13 0.00 0.59 -0.34 0.00 0.00 178.44 179.07 3dhh n ASN 24 N -4.94 4.34 -4.76 1.25 3.02 -1.26 -1.49 115.26 111.42 3dhh n ASN 24 Ca 0.32 -2.21 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 3dhh n ASN 24 Cb 1.06 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 3dhh n ASN 24 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3dhh s ASP 25 N -0.95 6.65 0.75 6.41 1.01 -0.40 -4.79 116.67 125.35 3dhh s ASP 25 Ca 0.50 2.76 -0.11 0.00 0.71 0.00 0.00 52.55 56.41 3dhh s ASP 25 Cb 0.29 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.62 3dhh s ASP 25 CO 0.29 -0.65 1.08 -0.94 0.21 0.00 0.00 175.17 175.16 3dhh s SER 26 N -0.19 4.88 0.32 0.27 1.04 -1.26 -1.43 113.70 117.34 3dhh s SER 26 Ca 0.52 1.57 0.05 0.00 0.48 0.00 0.00 55.95 58.57 3dhh s SER 26 Cb -0.42 -2.36 0.68 0.00 0.10 0.00 0.00 66.02 64.02 3dhh s SER 26 CO 0.52 -1.75 1.87 0.24 0.98 0.00 0.00 173.24 175.10 3dhh h MET 27 N -0.94 0.83 -0.59 4.02 2.86 -0.81 0.19 114.93 120.49 3dhh h MET 27 Ca -0.45 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.22 3dhh h MET 27 Cb 1.23 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 3dhh h MET 27 CO 0.56 0.55 0.24 -0.44 1.06 0.00 0.00 176.91 178.89 3dhh h ASP 28 N 0.86 0.28 -0.03 1.22 3.32 -1.74 0.06 116.42 120.39 3dhh h ASP 28 Ca 0.45 0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.39 3dhh h ASP 28 Cb 0.52 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3dhh h ASP 28 CO -0.21 0.18 -0.58 1.56 -1.72 0.00 0.00 179.24 178.46 3dhh h GLN 29 N 0.45 0.63 -0.02 3.56 4.20 -1.32 -2.45 115.11 120.15 3dhh h GLN 29 Ca 0.29 -0.42 0.03 0.00 0.06 0.00 0.00 58.65 58.61 3dhh h GLN 29 Cb 0.31 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3dhh h GLN 29 CO -0.26 1.03 -0.14 0.28 -0.67 0.00 0.00 178.83 179.07 3dhh h VAL 30 N 0.47 0.64 -0.36 -0.54 2.07 -0.54 -2.09 116.25 115.91 3dhh h VAL 30 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3dhh h VAL 30 Cb 1.15 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 3dhh h VAL 30 CO 0.11 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.74 3dhh h ALA 31 N 0.74 0.35 -0.66 1.67 0.00 -0.90 -1.49 119.26 118.97 3dhh h ALA 31 Ca 0.06 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3dhh h ALA 31 Cb 0.30 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3dhh h ALA 31 CO -0.16 -0.37 0.38 1.49 0.00 0.00 0.00 179.25 180.60 3dhh h GLU 32 N 0.15 0.69 -0.49 0.00 4.57 -1.38 -1.06 114.58 117.06 3dhh h GLU 32 Ca 0.17 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 3dhh h GLU 32 Cb 0.22 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3dhh h GLU 32 CO -0.26 0.46 -0.00 0.87 -1.18 0.00 0.00 179.01 178.90 3dhh h LYS 33 N 0.72 0.83 -0.05 1.92 1.57 -0.82 -2.01 116.57 118.71 3dhh h LYS 33 Ca 0.29 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3dhh h LYS 33 Cb 0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3dhh h LYS 33 CO -0.16 0.83 0.00 0.28 -0.57 0.00 0.00 179.45 179.83 3dhh h VAL 34 N 0.77 1.24 -0.48 0.50 2.07 -1.15 -3.23 116.25 115.96 3dhh h VAL 34 Ca 0.15 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 67.02 3dhh h VAL 34 Cb 0.47 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3dhh h VAL 34 CO 0.02 0.20 0.33 0.00 0.02 0.00 0.00 177.57 178.14 3dhh h ALA 35 N 0.73 2.10 -0.99 1.67 0.00 -0.92 -0.71 119.26 121.14 3dhh h ALA 35 Ca 0.02 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.11 3dhh h ALA 35 Cb 0.32 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 3dhh h ALA 35 CO 0.00 -0.21 0.58 -0.92 0.00 0.00 0.00 179.25 178.70 3dhh h TYR 36 N 0.27 1.02 -0.26 0.00 3.20 -1.39 0.81 116.97 120.62 3dhh h TYR 36 Ca 0.22 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3dhh h TYR 36 Cb 0.53 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3dhh h TYR 36 CO -0.00 0.20 0.00 0.72 -1.64 0.00 0.00 178.16 177.44 3dhh n HIS 37 N -4.80 0.34 0.09 -3.82 8.25 -0.28 -4.60 115.22 110.41 3dhh n HIS 37 Ca 0.23 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3dhh n HIS 37 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 3dhh n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dhh s VAL 39 N -2.00 2.61 0.00 0.00 1.01 0.15 -1.13 120.40 121.04 3dhh s VAL 39 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3dhh s VAL 39 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3dhh s VAL 39 CO 0.00 0.09 0.00 0.59 0.00 0.00 0.00 175.10 175.78 3dhh n ASN 40 N 2.03 -4.36 -0.06 3.32 3.02 0.85 -4.75 115.26 115.30 3dhh n ASN 40 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 3dhh n ASN 40 Cb 0.40 -2.88 -0.04 0.00 -0.61 0.00 0.00 39.78 36.65 3dhh n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dhh n ARG 41 N -0.09 0.32 0.00 3.52 1.74 -0.46 -4.91 116.66 116.77 3dhh n ARG 41 Ca 0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3dhh n ARG 41 Cb 0.34 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 3dhh n ARG 41 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dhh n ARG 42 N -3.83 2.27 -5.17 5.56 1.74 -0.29 -5.06 116.66 111.89 3dhh n ARG 42 Ca -0.22 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.54 3dhh n ARG 42 Cb 0.56 -0.17 -0.17 0.00 -1.02 0.00 0.00 32.46 31.67 3dhh n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dhh s VAL 43 N -0.33 1.98 0.25 1.55 1.01 -0.81 -4.86 120.40 119.19 3dhh s VAL 43 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3dhh s VAL 43 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 3dhh s VAL 43 CO 0.00 0.54 1.20 0.00 0.00 0.00 0.00 175.10 176.84 3dhh s ALA 44 N 0.36 3.45 0.72 5.51 0.00 -1.26 -0.11 121.76 130.43 3dhh s ALA 44 Ca -0.18 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 3dhh s ALA 44 Cb -0.18 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.57 3dhh s ALA 44 CO 0.08 -0.37 1.15 -1.25 0.00 0.00 0.00 175.76 175.37 3dhh s PRO 45 N -0.93 2.35 0.19 0.00 0.04 -1.26 -4.85 135.00 130.53 3dhh s PRO 45 Ca 0.50 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 3dhh s PRO 45 Cb -0.34 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3dhh s PRO 45 CO 0.41 -1.63 0.60 -0.98 0.04 0.00 0.00 177.00 175.45 3dhh s ARG 46 N -4.12 1.38 0.42 4.56 1.70 -1.26 -5.10 118.95 116.53 3dhh s ARG 46 Ca 0.70 -0.63 -0.17 0.00 -0.47 0.00 0.00 55.73 55.15 3dhh s ARG 46 Cb -0.24 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.63 3dhh s ARG 46 CO 0.45 -0.61 0.88 -1.21 -1.08 0.00 0.00 175.30 173.73 3dhh s GLU 47 N -3.80 4.05 0.00 3.89 0.41 -1.26 -4.99 118.70 117.00 3dhh s GLU 47 Ca 0.04 0.88 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 3dhh s GLU 47 Cb -0.02 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 3dhh s GLU 47 CO -0.08 -0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 3dhh n GLY 48 N -0.85 0.93 3.47 -1.39 0.00 -1.26 -5.07 105.19 101.02 3dhh n GLY 48 Ca 0.05 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 3dhh n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhh s VAL 49 N -1.01 3.94 0.08 1.61 1.01 -1.26 -5.04 120.40 119.73 3dhh s VAL 49 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3dhh s VAL 49 Cb 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3dhh s VAL 49 CO 0.00 0.45 1.09 -0.04 0.00 0.00 0.00 175.10 176.60 3dhh s MET 50 N 0.78 4.53 0.21 2.72 -1.94 -1.26 -2.72 119.30 121.63 3dhh s MET 50 Ca -0.00 1.63 0.09 0.00 -1.71 0.00 0.00 55.69 55.70 3dhh s MET 50 Cb -0.14 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.29 3dhh s MET 50 CO 0.02 -0.07 -0.16 1.03 -0.01 0.00 0.00 175.02 175.83 3dhh s ARG 51 N 0.59 1.39 -0.05 2.03 1.81 0.92 -4.84 118.95 120.80 3dhh s ARG 51 Ca 0.53 -1.60 0.06 0.00 -1.72 0.00 0.00 55.73 53.01 3dhh s ARG 51 Cb -0.27 -1.27 -0.02 0.00 -0.45 0.00 0.00 34.95 32.94 3dhh s ARG 51 CO 0.30 0.23 -0.24 0.08 -0.68 0.00 0.00 175.30 174.99 3dhh s VAL 52 N -2.75 2.21 0.06 3.52 1.01 -1.26 -1.19 120.40 122.00 3dhh s VAL 52 Ca 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3dhh s VAL 52 Cb -0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3dhh s VAL 52 CO 0.08 0.57 -0.05 0.00 0.00 0.00 0.00 175.10 175.71 3dhh s ARG 53 N -0.36 0.62 0.46 2.72 1.70 -0.48 -1.08 118.95 122.53 3dhh s ARG 53 Ca 0.03 -1.11 -0.25 0.00 -0.47 0.00 0.00 55.73 53.92 3dhh s ARG 53 Cb -0.12 0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.20 3dhh s ARG 53 CO 0.02 -0.06 1.41 1.63 -1.08 0.00 0.00 175.30 177.22 3dhh n LYS 54 N 0.43 2.17 -1.63 3.89 5.02 -1.26 -0.75 118.16 126.03 3dhh n LYS 54 Ca -0.16 0.78 -0.52 0.00 -2.02 0.00 0.00 58.31 56.39 3dhh n LYS 54 Cb 0.59 -2.60 -0.06 0.00 -0.02 0.00 0.00 35.03 32.94 3dhh n LYS 54 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3dhh n HIS 55 N -0.28 1.81 -0.61 2.13 -0.00 -0.12 -1.00 115.22 117.16 3dhh n HIS 55 Ca 0.06 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 3dhh n HIS 55 Cb 0.41 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 27.99 3dhh n HIS 55 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3dhh n ARG 56 N 3.47 0.00 -0.73 1.57 5.12 -1.26 -4.98 116.66 119.85 3dhh n ARG 56 Ca 0.20 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.83 3dhh n ARG 56 Cb 0.21 -2.47 0.21 0.00 -1.16 0.00 0.00 32.46 29.24 3dhh n ARG 56 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3dhh s SER 57 N -3.15 1.93 -0.26 0.55 0.01 -0.17 -5.00 113.70 107.61 3dhh s SER 57 Ca 0.00 1.65 -0.05 0.00 1.31 0.00 0.00 55.95 58.87 3dhh s SER 57 Cb 0.00 -2.32 -0.15 0.00 0.21 0.00 0.00 66.02 63.76 3dhh s SER 57 CO 0.00 -3.63 -0.28 0.35 0.41 0.00 0.00 173.24 170.09 3dhh n THR 58 N -4.55 1.48 -2.01 1.44 -2.24 -1.26 -4.97 114.28 102.17 3dhh n THR 58 Ca 0.06 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3dhh n THR 58 Cb 0.54 -1.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 3dhh n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dhh s GLU 59 N -2.51 4.19 0.27 -0.78 8.01 -1.26 -5.02 118.70 121.60 3dhh s GLU 59 Ca -0.36 2.20 -0.20 0.00 0.01 0.00 0.00 54.97 56.62 3dhh s GLU 59 Cb 0.11 -3.90 -0.09 0.00 -4.31 0.00 0.00 34.13 25.95 3dhh s GLU 59 CO 0.54 -0.81 0.78 -0.51 0.01 0.00 0.00 175.26 175.28 3dhh s LEU 60 N 3.71 4.29 0.43 1.80 1.43 -1.26 -4.44 118.68 124.63 3dhh s LEU 60 Ca 0.73 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 55.11 3dhh s LEU 60 Cb -0.34 -3.79 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 3dhh s LEU 60 CO 0.30 -0.04 1.06 -0.36 0.23 0.00 0.00 176.35 177.54 3dhh s PHE 61 N -1.63 3.15 0.54 0.29 0.40 -0.24 -5.01 117.98 115.47 3dhh s PHE 61 Ca 0.47 1.61 -0.22 0.00 -0.60 0.00 0.00 56.93 58.19 3dhh s PHE 61 Cb -0.16 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.19 3dhh s PHE 61 CO 0.21 -0.77 1.37 -2.14 0.70 0.00 0.00 175.22 174.58 3dhh s PRO 62 N -2.74 3.19 0.42 0.24 0.02 -1.26 -4.63 135.00 130.25 3dhh s PRO 62 Ca 0.61 2.26 0.08 0.00 0.02 0.00 0.00 61.00 63.97 3dhh s PRO 62 Cb -0.21 -2.30 0.92 0.00 0.02 0.00 0.00 34.50 32.93 3dhh s PRO 62 CO 0.26 -1.16 2.07 0.00 -0.33 0.00 0.00 177.00 177.84 3dhh h ARG 63 N 1.54 0.47 0.00 5.54 3.08 -1.96 -2.27 114.38 120.78 3dhh h ARG 63 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3dhh h ARG 63 Cb 1.30 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3dhh h ARG 63 CO 0.58 0.31 -0.71 -0.25 -1.07 0.00 0.00 179.97 178.83 3dhh n ASP 64 N -4.48 0.68 -4.75 7.04 8.00 -1.26 -2.17 116.55 119.60 3dhh n ASP 64 Ca 0.03 0.05 -0.41 0.00 0.71 0.00 0.00 54.79 55.16 3dhh n ASP 64 Cb 0.07 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 3dhh n ASP 64 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3dhh s MET 65 N -3.17 4.15 0.59 -1.24 -2.45 -0.86 -4.68 119.30 111.64 3dhh s MET 65 Ca 0.06 2.53 -0.04 0.00 -1.25 0.00 0.00 55.69 56.98 3dhh s MET 65 Cb 0.14 -3.04 0.02 0.00 1.25 0.00 0.00 34.83 33.20 3dhh s MET 65 CO 0.74 -0.59 0.87 0.95 1.05 0.00 0.00 175.02 178.04 3dhh s THR 66 N -0.04 3.35 0.29 10.11 -4.23 -1.26 -0.91 115.64 122.95 3dhh s THR 66 Ca 0.62 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 3dhh s THR 66 Cb -0.47 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.10 3dhh s THR 66 CO 0.48 -0.31 1.72 0.16 -0.54 0.00 0.00 174.62 176.12 3dhh h ILE 67 N -0.14 1.28 -0.76 2.99 -0.00 -1.26 -2.09 117.51 117.53 3dhh h ILE 67 Ca -0.45 -1.38 -0.05 0.00 -0.00 0.00 0.00 64.86 62.98 3dhh h ILE 67 Cb 1.27 1.53 -0.03 0.00 -0.00 0.00 0.00 36.82 39.59 3dhh h ILE 67 CO 0.59 0.42 0.28 0.00 -0.00 0.00 0.00 178.15 179.45 3dhh h ALA 68 N 1.36 1.05 0.00 0.16 0.00 -1.56 -2.00 119.26 118.27 3dhh h ALA 68 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dhh h ALA 68 Cb 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dhh h ALA 68 CO 0.06 0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.89 3dhh h GLU 69 N 1.12 0.00 0.00 0.00 5.08 -1.79 -3.25 114.58 115.75 3dhh h GLU 69 Ca 0.25 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3dhh h GLU 69 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3dhh h GLU 69 CO -0.02 0.00 -0.22 0.66 -1.00 0.00 0.00 179.01 178.44 3dhh h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.66 -3.47 113.55 115.48 3dhh h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dhh h SER 70 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3dhh h SER 70 CO 0.00 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3dhh n GLY 71 N 0.60 0.66 3.72 -0.77 0.00 -1.23 -5.02 105.19 103.14 3dhh n GLY 71 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3dhh n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dhh n LEU 72 N 0.00 4.78 -4.88 0.99 4.77 -1.26 -5.04 117.00 116.37 3dhh n LEU 72 Ca 0.00 1.03 -0.25 0.00 -0.03 0.00 0.00 56.01 56.75 3dhh n LEU 72 Cb 0.03 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 39.54 3dhh n LEU 72 CO 0.00 -0.67 -0.15 0.20 -1.33 0.00 0.00 177.39 175.45 3dhh s ASN 73 N -0.75 5.96 0.35 -1.43 0.01 -1.26 -4.96 114.94 112.85 3dhh s ASN 73 Ca 0.67 0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 52.55 3dhh s ASN 73 Cb -0.45 -1.69 -0.11 0.00 0.41 0.00 0.00 41.25 39.41 3dhh s ASN 73 CO 0.53 0.04 1.50 -2.65 -1.51 0.00 0.00 177.10 175.02 3dhh n PRO 74 N -0.57 2.64 -0.96 -0.60 -0.02 -1.26 -2.37 135.00 131.85 3dhh n PRO 74 Ca -0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3dhh n PRO 74 Cb 0.55 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3dhh n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dhh n THR 75 N 0.94 0.00 -1.15 3.45 -2.24 0.82 -5.02 114.28 111.08 3dhh n THR 75 Ca 0.04 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 3dhh n THR 75 Cb 0.38 -0.12 0.11 0.00 -2.10 0.00 0.00 70.33 68.59 3dhh n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dhh s GLU 76 N -0.25 1.98 -0.18 -0.78 2.02 -1.00 -4.49 118.70 116.00 3dhh s GLU 76 Ca 0.00 1.22 -0.09 0.00 0.02 0.00 0.00 54.97 56.13 3dhh s GLU 76 Cb 0.00 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 3dhh s GLU 76 CO 0.00 -1.85 0.11 0.08 0.02 0.00 0.00 175.26 173.61 3dhh s VAL 77 N -2.86 5.21 0.18 2.63 1.01 -1.26 -1.51 120.40 123.80 3dhh s VAL 77 Ca 0.62 0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.83 3dhh s VAL 77 Cb -0.18 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3dhh s VAL 77 CO 0.56 0.47 -0.23 0.27 0.00 0.00 0.00 175.10 176.18 3dhh s ILE 78 N 0.19 2.45 0.05 2.22 -4.36 0.48 -0.94 121.20 121.29 3dhh s ILE 78 Ca 0.07 -1.94 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 3dhh s ILE 78 Cb -0.12 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 3dhh s ILE 78 CO -0.01 -0.08 0.03 -1.81 0.24 0.00 0.00 174.94 173.31 3dhh s ASP 79 N -2.60 5.23 -0.23 4.36 1.01 0.07 -0.98 116.67 123.54 3dhh s ASP 79 Ca 0.20 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.42 3dhh s ASP 79 Cb -0.08 -1.35 0.04 0.00 1.01 0.00 0.00 42.92 42.53 3dhh s ASP 79 CO 0.10 0.22 -0.13 -0.69 0.21 0.00 0.00 175.17 174.87 3dhh s VAL 80 N -1.25 2.29 0.31 -1.27 1.01 -0.41 -1.38 120.40 119.71 3dhh s VAL 80 Ca 0.24 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3dhh s VAL 80 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3dhh s VAL 80 CO 0.16 0.24 0.11 0.68 0.00 0.00 0.00 175.10 176.30 3dhh s VAL 81 N 1.23 0.60 -0.11 2.92 -7.23 -0.33 -1.28 120.40 116.20 3dhh s VAL 81 Ca -0.01 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 3dhh s VAL 81 Cb -0.17 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3dhh s VAL 81 CO -0.08 0.00 0.02 -0.36 -0.31 0.00 0.00 175.10 174.37 3dhh s PHE 82 N -3.55 3.22 0.27 2.82 0.08 -1.26 -0.06 117.98 119.50 3dhh s PHE 82 Ca 0.35 0.17 -0.30 0.00 0.12 0.00 0.00 56.93 57.27 3dhh s PHE 82 Cb 0.06 -1.86 -0.13 0.00 -0.57 0.00 0.00 43.02 40.52 3dhh s PHE 82 CO 0.15 0.41 1.33 0.39 -0.10 0.00 0.00 175.22 177.40 3dhh n GLU 83 N 2.45 1.97 0.00 0.44 1.02 -1.10 -4.97 120.64 120.45 3dhh n GLU 83 Ca -0.18 0.70 0.14 0.00 -0.02 0.00 0.00 57.16 57.80 3dhh n GLU 83 Cb 0.53 -2.30 0.59 0.00 -0.02 0.00 0.00 31.44 30.24 3dhh n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70