#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh5 s GLU 2 N 0.00 4.61 0.75 1.64 2.12 -1.26 -5.02 118.70 121.53 3dh5 s GLU 2 Ca 0.00 1.83 -0.11 0.00 0.36 0.00 0.00 54.97 57.06 3dh5 s GLU 2 Cb 0.00 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.24 3dh5 s GLU 2 CO 0.00 0.15 1.08 0.95 -0.54 0.00 0.00 175.26 176.90 3dh5 s THR 3 N -0.99 3.57 0.25 -1.70 -4.23 -1.26 -4.83 115.64 106.45 3dh5 s THR 3 Ca 0.46 0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 61.43 3dh5 s THR 3 Cb -0.32 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.61 3dh5 s THR 3 CO 0.41 -0.67 1.83 0.00 -0.54 0.00 0.00 174.62 175.66 3dh5 h ALA 4 N -0.99 1.17 -0.46 3.99 0.00 -1.95 -0.65 119.26 120.38 3dh5 h ALA 4 Ca -0.44 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3dh5 h ALA 4 Cb 1.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3dh5 h ALA 4 CO 0.53 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 180.35 3dh5 h ALA 5 N 1.29 0.63 -0.62 0.00 0.00 -1.91 -1.38 119.26 117.27 3dh5 h ALA 5 Ca 0.25 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3dh5 h ALA 5 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dh5 h ALA 5 CO -0.03 0.46 0.04 0.00 0.00 0.00 0.00 179.25 179.73 3dh5 h ALA 6 N 0.90 0.90 -0.83 0.00 0.00 -1.84 -1.54 119.26 116.85 3dh5 h ALA 6 Ca 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dh5 h ALA 6 Cb 0.56 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3dh5 h ALA 6 CO 0.03 0.66 0.40 -0.22 0.00 0.00 0.00 179.25 180.12 3dh5 h LYS 7 N 0.98 1.20 -0.65 0.00 3.64 -0.90 -0.97 116.57 119.88 3dh5 h LYS 7 Ca 0.18 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3dh5 h LYS 7 Cb 0.50 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3dh5 h LYS 7 CO 0.02 0.92 0.30 0.35 -2.27 0.00 0.00 179.45 178.78 3dh5 h PHE 8 N 1.18 0.94 0.06 1.91 3.04 -1.00 -0.62 116.94 122.44 3dh5 h PHE 8 Ca 0.29 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 3dh5 h PHE 8 Cb 0.12 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 3dh5 h PHE 8 CO 0.01 0.71 -0.03 0.93 -2.02 0.00 0.00 178.31 177.91 3dh5 h GLU 9 N 0.89 -0.08 -0.79 1.11 5.08 -0.77 0.58 114.58 120.60 3dh5 h GLU 9 Ca 0.22 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3dh5 h GLU 9 Cb 0.13 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3dh5 h GLU 9 CO -0.03 -0.06 0.46 -0.09 -1.00 0.00 0.00 179.01 178.30 3dh5 h ARG 10 N -0.09 1.07 0.06 2.33 2.43 -1.09 -1.59 114.38 117.51 3dh5 h ARG 10 Ca -0.00 -0.11 -0.24 0.00 -0.81 0.00 0.00 59.98 58.82 3dh5 h ARG 10 Cb 0.07 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3dh5 h ARG 10 CO 0.00 0.77 -1.15 1.96 -1.51 0.00 0.00 179.97 180.04 3dh5 h GLN 11 N 1.08 0.13 -0.00 0.20 4.20 -0.98 -3.41 115.11 116.32 3dh5 h GLN 11 Ca 0.28 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3dh5 h GLN 11 Cb -0.02 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3dh5 h GLN 11 CO -0.05 1.09 -0.02 0.72 -0.67 0.00 0.00 178.83 179.89 3dh5 n HIS 12 N -3.43 0.00 -4.04 2.96 8.25 0.18 -4.63 115.22 114.52 3dh5 n HIS 12 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 3dh5 n HIS 12 Cb 0.98 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.00 3dh5 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3dh5 s MET 13 N -0.66 3.76 -0.43 -0.41 -1.94 -0.60 0.12 119.30 119.14 3dh5 s MET 13 Ca 0.01 -0.32 0.05 0.00 -1.71 0.00 0.00 55.69 53.71 3dh5 s MET 13 Cb 0.01 -3.15 0.17 0.00 2.01 0.00 0.00 34.83 33.87 3dh5 s MET 13 CO 0.03 0.41 0.42 0.34 -0.01 0.00 0.00 175.02 176.21 3dh5 s ASP 14 N -0.01 0.79 0.00 3.03 2.15 -0.37 -4.83 116.67 117.43 3dh5 s ASP 14 Ca 0.06 -2.75 0.32 0.00 0.43 0.00 0.00 52.55 50.61 3dh5 s ASP 14 Cb -0.12 0.09 1.86 0.00 -0.30 0.00 0.00 42.92 44.45 3dh5 s ASP 14 CO 0.01 -0.15 2.20 -1.20 -0.17 0.00 0.00 175.17 175.87 3dh5 n SER 15 N 2.90 0.00 0.02 -0.34 7.64 -1.26 -3.92 113.62 118.66 3dh5 n SER 15 Ca 0.27 -0.88 0.13 0.00 1.01 0.00 0.00 58.87 59.39 3dh5 n SER 15 Cb 0.50 -0.04 0.39 0.00 -1.01 0.00 0.00 64.21 64.05 3dh5 n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dh5 n SER 16 N -1.04 0.38 -4.07 6.43 3.41 -1.26 -4.85 113.62 112.62 3dh5 n SER 16 Ca 0.23 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3dh5 n SER 16 Cb 0.13 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 63.82 3dh5 n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dh5 s THR 17 N -3.04 0.51 -0.73 6.66 -4.23 -1.25 -5.04 115.64 108.52 3dh5 s THR 17 Ca 0.11 -1.25 0.26 0.00 -1.18 0.00 0.00 61.69 59.63 3dh5 s THR 17 Cb 0.17 -0.81 0.22 0.00 1.34 0.00 0.00 72.50 73.42 3dh5 s THR 17 CO 0.63 -0.51 1.66 -1.54 -0.54 0.00 0.00 174.62 174.32 3dh5 n SER 18 N 1.14 0.74 -3.60 3.99 3.41 -1.26 -4.77 113.62 113.27 3dh5 n SER 18 Ca -0.21 0.44 -0.03 0.00 -0.26 0.00 0.00 58.87 58.81 3dh5 n SER 18 Cb 0.56 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3dh5 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh5 s ALA 19 N -3.11 -2.09 0.24 7.33 0.00 -1.26 -4.84 121.76 118.03 3dh5 s ALA 19 Ca 0.10 1.32 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 3dh5 s ALA 19 Cb 0.13 0.04 -0.11 0.00 0.00 0.00 0.00 23.12 23.18 3dh5 s ALA 19 CO 0.63 -0.72 1.64 0.00 0.00 0.00 0.00 175.76 177.31 3dh5 s ALA 20 N -2.48 3.83 -0.41 0.00 0.00 -1.26 -4.91 121.76 116.54 3dh5 s ALA 20 Ca 0.10 1.55 0.23 0.00 0.00 0.00 0.00 51.96 53.84 3dh5 s ALA 20 Cb 0.00 -3.66 0.24 0.00 0.00 0.00 0.00 23.12 19.70 3dh5 s ALA 20 CO -0.04 -0.92 1.34 0.77 0.00 0.00 0.00 175.76 176.90 3dh5 h SER 21 N 5.96 0.00 -5.23 0.00 0.02 -2.00 -3.49 113.55 108.81 3dh5 h SER 21 Ca -0.45 -0.04 0.12 0.00 -0.84 0.00 0.00 61.79 60.59 3dh5 h SER 21 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 3dh5 h SER 21 CO 0.88 0.02 0.42 -0.94 -1.14 0.00 0.00 176.83 176.07 3dh5 s SER 22 N -5.38 -0.11 0.63 3.07 1.04 -1.26 -5.03 113.70 106.65 3dh5 s SER 22 Ca 0.04 -0.64 0.41 0.00 0.48 0.00 0.00 55.95 56.24 3dh5 s SER 22 Cb 0.09 0.60 2.10 0.00 0.10 0.00 0.00 66.02 68.91 3dh5 s SER 22 CO 0.72 -1.15 2.25 0.77 0.98 0.00 0.00 173.24 176.82 3dh5 h SER 23 N 2.00 0.00 -0.05 7.02 4.64 -1.94 -2.37 113.55 122.85 3dh5 h SER 23 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3dh5 h SER 23 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3dh5 h SER 23 CO 0.30 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.85 3dh5 n ASN 24 N -3.09 1.85 -0.18 4.97 5.03 -1.26 -4.35 115.26 118.23 3dh5 n ASN 24 Ca -0.02 -1.63 -0.01 0.00 0.87 0.00 0.00 54.58 53.79 3dh5 n ASN 24 Cb 0.15 -0.02 0.06 0.00 -1.02 0.00 0.00 39.78 38.95 3dh5 n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3dh5 h TYR 25 N 2.83 -0.15 -0.30 3.10 5.03 -1.82 -2.10 116.97 123.57 3dh5 h TYR 25 Ca 0.00 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 3dh5 h TYR 25 Cb 0.60 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 3dh5 h TYR 25 CO 0.02 -0.18 -0.03 0.00 -1.32 0.00 0.00 178.16 176.65 3dh5 h ASN 27 N 0.32 0.88 -0.09 0.00 2.35 -1.73 0.67 115.58 117.98 3dh5 h ASN 27 Ca 0.08 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3dh5 h ASN 27 Cb 0.48 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3dh5 h ASN 27 CO 0.02 0.50 -0.17 1.56 -1.65 0.00 0.00 177.43 177.69 3dh5 h GLN 28 N 0.97 0.28 -0.27 0.81 4.20 -0.97 -2.92 115.11 117.21 3dh5 h GLN 28 Ca 0.45 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 3dh5 h GLN 28 Cb 0.38 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3dh5 h GLN 28 CO -0.24 0.76 -0.43 0.52 -0.67 0.00 0.00 178.83 178.77 3dh5 h MET 29 N -0.17 0.67 0.00 1.46 2.86 -0.75 -1.26 114.93 117.73 3dh5 h MET 29 Ca 0.01 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.24 3dh5 h MET 29 Cb 0.75 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3dh5 h MET 29 CO 0.04 0.97 -0.22 0.52 1.06 0.00 0.00 176.91 179.28 3dh5 h MET 30 N 0.54 0.00 0.02 1.72 2.86 -0.94 -0.19 114.93 118.94 3dh5 h MET 30 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3dh5 h MET 30 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3dh5 h MET 30 CO 0.09 0.22 -0.11 -0.22 1.06 0.00 0.00 176.91 177.95 3dh5 h LYS 31 N 0.00 0.05 -0.15 1.72 3.64 -1.31 -0.36 116.57 120.17 3dh5 h LYS 31 Ca -0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 3dh5 h LYS 31 Cb 0.42 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3dh5 h LYS 31 CO 0.03 0.98 -0.20 0.66 -2.27 0.00 0.00 179.45 178.65 3dh5 h SER 32 N -0.85 0.24 -0.14 4.20 4.64 -1.10 -1.53 113.55 119.00 3dh5 h SER 32 Ca -0.02 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3dh5 h SER 32 Cb 1.03 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3dh5 h SER 32 CO 0.02 0.46 0.00 0.54 -0.87 0.00 0.00 176.83 176.98 3dh5 n ARG 33 N -4.21 1.34 -3.15 4.77 5.12 -0.10 -4.89 116.66 115.54 3dh5 n ARG 33 Ca -0.01 -0.51 -0.22 0.00 -1.93 0.00 0.00 57.85 55.18 3dh5 n ARG 33 Cb 0.32 -1.13 0.05 0.00 -1.16 0.00 0.00 32.46 30.54 3dh5 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dh5 n ASN 34 N -0.08 -6.00 -1.19 0.55 3.02 -0.58 -4.88 115.26 106.11 3dh5 n ASN 34 Ca 0.05 -0.35 0.11 0.00 -0.03 0.00 0.00 54.58 54.36 3dh5 n ASN 34 Cb 0.13 -4.75 0.28 0.00 -0.61 0.00 0.00 39.78 34.82 3dh5 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dh5 n LEU 35 N -4.13 3.48 -0.13 3.41 4.77 -0.15 -4.04 117.00 120.21 3dh5 n LEU 35 Ca -0.07 -1.64 0.03 0.00 -0.03 0.00 0.00 56.01 54.30 3dh5 n LEU 35 Cb 0.60 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3dh5 n LEU 35 CO 0.50 0.82 0.43 0.35 -1.33 0.00 0.00 177.39 178.16 3dh5 n THR 36 N 1.44 0.93 0.17 -5.08 -2.24 -1.19 -1.73 114.28 106.58 3dh5 n THR 36 Ca 0.21 -1.06 -0.13 0.00 -2.27 0.00 0.00 64.05 60.80 3dh5 n THR 36 Cb 0.57 0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 3dh5 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dh5 h LYS 37 N 0.00 -0.66 0.00 -0.78 1.79 -1.89 -3.35 116.57 111.68 3dh5 h LYS 37 Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3dh5 h LYS 37 Cb 0.95 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3dh5 h LYS 37 CO 0.00 -0.44 -0.49 -0.25 -1.08 0.00 0.00 179.45 177.19 3dh5 n ASP 38 N -4.69 0.53 -3.49 0.86 8.00 -1.26 -5.04 116.55 111.46 3dh5 n ASP 38 Ca -0.08 -0.70 -0.10 0.00 0.71 0.00 0.00 54.79 54.61 3dh5 n ASP 38 Cb 0.33 1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 42.43 3dh5 n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dh5 s ARG 39 N -1.93 1.20 -0.21 -1.24 3.52 -1.26 -5.09 118.95 113.95 3dh5 s ARG 39 Ca 0.03 -0.48 -0.23 0.00 -0.13 0.00 0.00 55.73 54.93 3dh5 s ARG 39 Cb 0.07 0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 33.98 3dh5 s ARG 39 CO 0.40 -0.53 0.73 0.00 -0.81 0.00 0.00 175.30 175.09 3dh5 s LYS 41 N 2.25 4.31 0.18 0.00 2.20 -0.70 -4.90 119.74 123.08 3dh5 s LYS 41 Ca 0.32 2.12 -0.09 0.00 -0.36 0.00 0.00 55.97 57.97 3dh5 s LYS 41 Cb -0.16 -3.22 0.07 0.00 -1.51 0.00 0.00 37.83 33.01 3dh5 s LYS 41 CO 0.10 -0.43 1.62 -1.00 -0.36 0.00 0.00 175.35 175.28 3dh5 h PRO 42 N 6.51 1.04 -3.49 4.03 0.13 -1.94 -3.44 132.00 134.85 3dh5 h PRO 42 Ca -0.43 -0.36 -0.24 0.00 -0.87 0.00 0.00 66.00 64.10 3dh5 h PRO 42 Cb 1.21 -0.08 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 3dh5 h PRO 42 CO 0.85 1.05 -0.65 0.08 -0.23 0.00 0.00 178.00 179.11 3dh5 s VAL 43 N -4.91 -0.02 -0.25 1.56 1.01 -1.26 -1.28 120.40 115.24 3dh5 s VAL 43 Ca -0.11 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 3dh5 s VAL 43 Cb 0.13 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.46 3dh5 s VAL 43 CO 0.86 0.04 0.63 0.21 0.00 0.00 0.00 175.10 176.83 3dh5 s ASN 44 N 0.51 -0.82 -0.15 3.32 2.47 0.31 -5.00 114.94 115.57 3dh5 s ASN 44 Ca -0.04 1.36 -0.05 0.00 0.42 0.00 0.00 52.86 54.55 3dh5 s ASN 44 Cb -0.06 1.25 -0.04 0.00 -1.45 0.00 0.00 41.25 40.96 3dh5 s ASN 44 CO -0.02 -0.23 0.02 -0.89 -3.72 0.00 0.00 177.10 172.27 3dh5 s THR 45 N 1.38 4.45 -0.09 -5.21 2.01 -1.26 -0.63 115.64 116.29 3dh5 s THR 45 Ca -0.08 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 3dh5 s THR 45 Cb -0.06 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3dh5 s THR 45 CO -0.15 0.50 0.07 -0.36 -0.69 0.00 0.00 174.62 173.99 3dh5 s PHE 46 N 0.07 3.37 -0.18 4.92 0.08 -0.20 -4.34 117.98 121.71 3dh5 s PHE 46 Ca 0.03 0.35 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 3dh5 s PHE 46 Cb -0.13 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 3dh5 s PHE 46 CO 0.01 0.60 -0.03 0.08 -0.10 0.00 0.00 175.22 175.79 3dh5 s VAL 47 N -0.98 3.81 -1.07 -0.44 1.01 0.12 -0.87 120.40 121.99 3dh5 s VAL 47 Ca 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3dh5 s VAL 47 Cb -0.12 -2.70 0.31 0.00 0.00 0.00 0.00 36.38 33.88 3dh5 s VAL 47 CO 0.04 0.46 1.61 1.41 0.00 0.00 0.00 175.10 178.62 3dh5 n HIS 48 N 3.95 2.41 -4.15 5.22 -0.00 0.13 -1.23 115.22 121.54 3dh5 n HIS 48 Ca -0.17 -2.56 -0.12 0.00 -0.00 0.00 0.00 57.72 54.86 3dh5 n HIS 48 Cb 0.52 -1.24 -0.08 0.00 -0.00 0.00 0.00 29.99 29.19 3dh5 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3dh5 s GLU 49 N -3.31 1.39 0.72 -0.41 0.41 -1.26 -4.42 118.70 111.81 3dh5 s GLU 49 Ca 0.34 -1.59 -0.13 0.00 -0.41 0.00 0.00 54.97 53.18 3dh5 s GLU 49 Cb 0.10 0.34 0.03 0.00 -1.78 0.00 0.00 34.13 32.81 3dh5 s GLU 49 CO 0.03 -0.50 1.12 -1.54 -0.49 0.00 0.00 175.26 173.87 3dh5 s SER 50 N -3.15 4.66 0.22 -0.19 1.04 -1.26 -4.11 113.70 110.91 3dh5 s SER 50 Ca 0.35 2.01 -0.09 0.00 0.48 0.00 0.00 55.95 58.70 3dh5 s SER 50 Cb 0.04 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.80 3dh5 s SER 50 CO 0.13 -1.93 1.89 0.25 0.98 0.00 0.00 173.24 174.56 3dh5 h LEU 51 N -0.46 0.97 -0.76 2.42 5.85 -1.97 -1.98 115.31 119.38 3dh5 h LEU 51 Ca -0.46 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.27 3dh5 h LEU 51 Cb 1.25 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3dh5 h LEU 51 CO 0.52 0.72 0.47 0.00 -0.34 0.00 0.00 178.44 179.80 3dh5 h ALA 52 N 1.29 1.02 -0.28 1.25 0.00 -1.99 0.11 119.26 120.66 3dh5 h ALA 52 Ca 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3dh5 h ALA 52 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dh5 h ALA 52 CO -0.06 0.22 -0.05 -0.44 0.00 0.00 0.00 179.25 178.92 3dh5 h ASP 53 N 0.88 0.41 -0.02 0.00 5.19 -1.74 -0.97 116.42 120.17 3dh5 h ASP 53 Ca 0.32 -0.08 -0.22 0.00 -0.62 0.00 0.00 57.03 56.44 3dh5 h ASP 53 Cb 0.10 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.52 3dh5 h ASP 53 CO -0.14 0.51 -0.82 0.58 -3.12 0.00 0.00 179.24 176.24 3dh5 h VAL 54 N 0.42 1.33 -0.58 -1.35 2.07 -0.86 -3.08 116.25 114.20 3dh5 h VAL 54 Ca 0.09 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 3dh5 h VAL 54 Cb 0.35 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3dh5 h VAL 54 CO 0.01 0.65 0.33 1.56 0.02 0.00 0.00 177.57 180.14 3dh5 h GLN 55 N 0.22 0.80 0.00 1.57 4.20 -0.59 -1.94 115.11 119.37 3dh5 h GLN 55 Ca -0.10 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3dh5 h GLN 55 Cb 1.49 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3dh5 h GLN 55 CO 0.16 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 3dh5 h ALA 56 N 1.55 1.00 0.00 3.87 0.00 -1.09 -2.32 119.26 122.28 3dh5 h ALA 56 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3dh5 h ALA 56 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dh5 h ALA 56 CO -0.04 0.00 -0.14 0.28 0.00 0.00 0.00 179.25 179.35 3dh5 h VAL 57 N 0.00 0.87 0.00 0.00 2.07 -1.35 -1.97 116.25 115.87 3dh5 h VAL 57 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3dh5 h VAL 57 Cb 0.11 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3dh5 h VAL 57 CO 0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73 3dh5 n SER 59 N -1.46 2.70 0.00 0.00 7.64 -0.74 -5.00 113.62 116.76 3dh5 n SER 59 Ca 0.01 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.95 3dh5 n SER 59 Cb 0.05 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3dh5 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dh5 n GLN 60 N 0.38 0.87 -2.69 1.43 6.02 -0.26 -5.00 117.38 118.13 3dh5 n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 3dh5 n GLN 60 Cb 0.39 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.62 3dh5 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3dh5 s LYS 61 N 3.94 4.06 -0.02 -1.09 2.47 -1.11 -4.88 119.74 123.11 3dh5 s LYS 61 Ca 0.00 1.01 -0.30 0.00 -1.56 0.00 0.00 55.97 55.12 3dh5 s LYS 61 Cb 0.00 -3.73 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 3dh5 s LYS 61 CO 0.00 -0.85 1.16 1.21 0.16 0.00 0.00 175.35 177.03 3dh5 s ASN 62 N 1.62 7.11 0.05 1.43 2.47 -1.26 -0.65 114.94 125.72 3dh5 s ASN 62 Ca 0.43 1.84 -0.01 0.00 0.42 0.00 0.00 52.86 55.54 3dh5 s ASN 62 Cb -0.13 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.07 3dh5 s ASN 62 CO 0.14 -0.50 -0.03 0.68 -3.72 0.00 0.00 177.10 173.67 3dh5 s VAL 63 N 1.72 0.26 0.55 -5.21 -7.23 -0.19 -4.93 120.40 105.37 3dh5 s VAL 63 Ca 0.56 -1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 58.73 3dh5 s VAL 63 Cb -0.25 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 3dh5 s VAL 63 CO 0.24 -0.98 1.11 0.00 -0.31 0.00 0.00 175.10 175.16 3dh5 s ALA 64 N -3.86 2.70 0.53 1.32 0.00 -1.26 -3.28 121.76 117.91 3dh5 s ALA 64 Ca 0.07 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 3dh5 s ALA 64 Cb 0.07 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3dh5 s ALA 64 CO -0.09 -0.76 0.86 0.00 0.00 0.00 0.00 175.76 175.77 3dh5 h LYS 66 N 0.03 0.24 -0.01 0.00 1.57 -1.92 -0.60 116.57 115.87 3dh5 h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3dh5 h LYS 66 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3dh5 h LYS 66 CO 0.62 0.16 0.00 0.27 -0.57 0.00 0.00 179.45 179.92 3dh5 n ASN 67 N -4.47 0.35 0.00 0.86 6.94 -1.26 -4.90 115.26 112.78 3dh5 n ASN 67 Ca 0.05 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 3dh5 n ASN 67 Cb 0.27 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3dh5 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dh5 n GLY 68 N 0.98 0.80 3.76 4.83 0.00 -0.23 -5.06 105.19 110.27 3dh5 n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3dh5 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dh5 s GLN 69 N -0.75 2.26 -0.17 1.61 -0.21 -1.26 -4.76 119.66 116.37 3dh5 s GLN 69 Ca 0.00 1.25 0.17 0.00 0.02 0.00 0.00 55.36 56.79 3dh5 s GLN 69 Cb 0.00 -1.89 0.50 0.00 1.00 0.00 0.00 33.01 32.62 3dh5 s GLN 69 CO 0.00 -1.65 1.39 0.25 -2.12 0.00 0.00 175.29 173.16 3dh5 n THR 70 N -3.37 2.21 -1.31 -0.19 -2.24 -1.26 -1.30 114.28 106.82 3dh5 n THR 70 Ca 0.10 -1.88 -0.18 0.00 -2.27 0.00 0.00 64.05 59.81 3dh5 n THR 70 Cb 0.53 -0.23 0.18 0.00 -2.10 0.00 0.00 70.33 68.71 3dh5 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dh5 n ASN 71 N -0.56 3.41 -4.92 3.42 6.94 -1.26 -4.77 115.26 117.51 3dh5 n ASN 71 Ca 0.20 -3.67 -0.29 0.00 -0.02 0.00 0.00 54.58 50.80 3dh5 n ASN 71 Cb 0.85 -0.78 -0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3dh5 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dh5 s TYR 73 N -1.60 0.33 -0.18 0.00 1.51 0.38 -1.02 117.35 116.77 3dh5 s TYR 73 Ca 0.35 -0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.30 3dh5 s TYR 73 Cb -0.12 -0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.48 3dh5 s TYR 73 CO 0.28 -0.01 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.55 3dh5 s GLN 74 N -0.05 3.64 0.34 -0.62 0.74 0.18 -1.54 119.66 122.36 3dh5 s GLN 74 Ca 0.01 -0.52 -0.29 0.00 0.05 0.00 0.00 55.36 54.61 3dh5 s GLN 74 Cb -0.02 -3.00 -0.12 0.00 1.10 0.00 0.00 33.01 30.97 3dh5 s GLN 74 CO -0.00 0.11 1.44 -1.13 -0.55 0.00 0.00 175.29 175.16 3dh5 n SER 75 N 3.94 3.40 -0.06 6.67 3.41 0.29 -2.75 113.62 128.53 3dh5 n SER 75 Ca -0.17 1.20 -0.04 0.00 -0.26 0.00 0.00 58.87 59.60 3dh5 n SER 75 Cb 0.52 -1.56 0.18 0.00 -0.26 0.00 0.00 64.21 63.09 3dh5 n SER 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3dh5 h TYR 76 N 3.23 0.73 -2.05 7.33 0.05 -1.95 -3.43 116.97 120.88 3dh5 h TYR 76 Ca -0.48 -0.12 -0.48 0.00 0.05 0.00 0.00 58.73 57.70 3dh5 h TYR 76 Cb 1.25 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 3dh5 h TYR 76 CO 0.53 0.75 -0.45 0.45 -1.05 0.00 0.00 178.16 178.39 3dh5 s SER 77 N -6.72 5.80 0.45 3.88 0.15 -1.26 -5.06 113.70 110.94 3dh5 s SER 77 Ca -0.08 -0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 3dh5 s SER 77 Cb 0.14 -1.42 -0.10 0.00 -1.71 0.00 0.00 66.02 62.93 3dh5 s SER 77 CO 0.80 -0.19 0.96 0.42 1.20 0.00 0.00 173.24 176.44 3dh5 s THR 78 N -2.13 4.41 0.11 6.45 -4.23 -1.26 -4.46 115.64 114.54 3dh5 s THR 78 Ca 0.37 1.42 0.07 0.00 -1.18 0.00 0.00 61.69 62.37 3dh5 s THR 78 Cb -0.08 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 3dh5 s THR 78 CO 0.28 -0.40 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.75 3dh5 s MET 79 N -3.39 1.03 -0.02 3.99 -1.94 0.11 -4.83 119.30 114.26 3dh5 s MET 79 Ca 0.61 -1.17 -0.30 0.00 -1.71 0.00 0.00 55.69 53.12 3dh5 s MET 79 Cb -0.09 -1.07 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 3dh5 s MET 79 CO 0.17 0.23 1.23 0.45 -0.01 0.00 0.00 175.02 177.09 3dh5 s SER 80 N -2.16 7.02 0.09 3.03 0.15 -1.26 -1.32 113.70 119.25 3dh5 s SER 80 Ca 0.06 1.90 0.01 0.00 0.70 0.00 0.00 55.95 58.62 3dh5 s SER 80 Cb -0.08 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3dh5 s SER 80 CO 0.04 -0.58 -0.05 0.27 1.20 0.00 0.00 173.24 174.11 3dh5 s ILE 81 N 2.03 0.58 -0.09 6.45 -4.36 0.25 0.19 121.20 126.24 3dh5 s ILE 81 Ca 0.58 -1.91 -0.00 0.00 -0.26 0.00 0.00 60.65 59.06 3dh5 s ILE 81 Cb -0.27 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 41.80 3dh5 s ILE 81 CO 0.24 -0.88 -0.06 -0.89 0.24 0.00 0.00 174.94 173.58 3dh5 s THR 82 N -3.70 0.86 -0.09 8.37 2.01 -0.05 -1.18 115.64 121.86 3dh5 s THR 82 Ca 0.11 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 3dh5 s THR 82 Cb 0.06 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 3dh5 s THR 82 CO -0.06 0.33 0.44 -0.62 -0.69 0.00 0.00 174.62 174.02 3dh5 s ASP 83 N 1.53 6.69 -0.17 3.53 2.15 0.38 -1.03 116.67 129.75 3dh5 s ASP 83 Ca 0.01 0.82 -0.01 0.00 0.43 0.00 0.00 52.55 53.80 3dh5 s ASP 83 Cb -0.13 -2.27 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 3dh5 s ASP 83 CO -0.05 0.10 -0.13 0.00 -0.17 0.00 0.00 175.17 174.91 3dh5 s ARG 85 N 1.00 0.22 0.44 0.00 0.52 -0.97 -0.53 118.95 119.63 3dh5 s ARG 85 Ca -0.02 -0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 54.86 3dh5 s ARG 85 Cb -0.15 -0.23 -0.08 0.00 0.52 0.00 0.00 34.95 35.01 3dh5 s ARG 85 CO -0.03 0.04 1.34 -1.21 0.02 0.00 0.00 175.30 175.47 3dh5 s GLU 86 N 0.03 3.78 0.71 3.54 2.02 -0.41 -0.41 118.70 127.96 3dh5 s GLU 86 Ca 0.00 2.22 0.02 0.00 0.02 0.00 0.00 54.97 57.23 3dh5 s GLU 86 Cb -0.02 -2.65 0.13 0.00 0.10 0.00 0.00 34.13 31.69 3dh5 s GLU 86 CO -0.00 -0.67 0.97 0.95 0.02 0.00 0.00 175.26 176.53 3dh5 s THR 87 N -1.27 2.05 0.31 3.63 -4.23 -0.91 -4.80 115.64 110.42 3dh5 s THR 87 Ca 0.60 -0.70 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3dh5 s THR 87 Cb -0.39 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3dh5 s THR 87 CO 0.50 0.00 1.73 1.23 -0.54 0.00 0.00 174.62 177.54 3dh5 h GLY 88 N -0.43 0.16 0.88 3.99 0.00 -1.95 -2.78 103.07 102.95 3dh5 h GLY 88 Ca -0.33 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3dh5 h GLY 88 CO 0.38 0.14 0.00 -1.14 0.00 0.00 0.00 176.54 175.92 3dh5 n SER 89 N -4.02 0.00 -4.71 0.19 3.41 -1.26 -4.84 113.62 102.39 3dh5 n SER 89 Ca -0.02 -1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 57.11 3dh5 n SER 89 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3dh5 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dh5 s SER 90 N -1.89 7.08 -0.27 4.04 0.15 -1.05 -4.84 113.70 116.93 3dh5 s SER 90 Ca 0.40 1.98 -0.07 0.00 0.70 0.00 0.00 55.95 58.97 3dh5 s SER 90 Cb 0.19 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 3dh5 s SER 90 CO 0.31 -0.48 0.55 -0.75 1.20 0.00 0.00 173.24 174.07 3dh5 s LYS 91 N 1.23 0.48 0.05 5.44 2.20 -1.01 -4.91 119.74 123.23 3dh5 s LYS 91 Ca 0.58 1.16 -0.36 0.00 -0.36 0.00 0.00 55.97 56.99 3dh5 s LYS 91 Cb -0.29 0.52 -0.15 0.00 -1.51 0.00 0.00 37.83 36.40 3dh5 s LYS 91 CO 0.28 -0.35 1.51 0.98 -0.36 0.00 0.00 175.35 177.41 3dh5 n TYR 92 N 5.42 1.89 0.00 4.03 9.36 -1.26 -3.19 117.16 133.41 3dh5 n TYR 92 Ca -0.08 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.60 3dh5 n TYR 92 Cb 0.50 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 3dh5 n TYR 92 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3dh5 n PRO 93 N 3.49 0.00 -3.75 2.98 -0.02 -1.26 -5.00 135.00 131.44 3dh5 n PRO 93 Ca 0.19 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.52 3dh5 n PRO 93 Cb 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.71 3dh5 n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dh5 n ASN 94 N 0.00 -1.43 -4.78 2.55 5.03 -1.19 -4.79 115.26 110.65 3dh5 n ASN 94 Ca 0.00 -0.44 -0.33 0.00 0.87 0.00 0.00 54.58 54.68 3dh5 n ASN 94 Cb 0.00 -0.54 0.03 0.00 -1.02 0.00 0.00 39.78 38.25 3dh5 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dh5 s ALA 96 N -2.31 -0.60 0.08 0.00 0.00 -1.26 -4.89 121.76 112.77 3dh5 s ALA 96 Ca 0.67 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.65 3dh5 s ALA 96 Cb -0.20 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3dh5 s ALA 96 CO 0.39 -0.18 -0.20 0.71 0.00 0.00 0.00 175.76 176.48 3dh5 s TYR 97 N 0.96 1.71 -0.03 0.00 1.51 -1.26 -2.13 117.35 118.11 3dh5 s TYR 97 Ca -0.07 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.40 3dh5 s TYR 97 Cb -0.08 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 3dh5 s TYR 97 CO -0.06 0.14 0.53 0.21 -1.11 0.00 0.00 175.55 175.26 3dh5 s LYS 98 N -1.59 4.26 -0.30 -0.62 2.20 0.45 -4.58 119.74 119.57 3dh5 s LYS 98 Ca 0.06 0.61 -0.09 0.00 -0.36 0.00 0.00 55.97 56.18 3dh5 s LYS 98 Cb -0.09 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 3dh5 s LYS 98 CO 0.03 0.37 0.14 0.99 -0.36 0.00 0.00 175.35 176.52 3dh5 s THR 99 N -0.15 4.59 -0.23 3.43 2.01 -1.26 -2.29 115.64 121.74 3dh5 s THR 99 Ca 0.28 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.97 3dh5 s THR 99 Cb -0.17 -3.29 0.05 0.00 0.01 0.00 0.00 72.50 69.10 3dh5 s THR 99 CO 0.15 0.13 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.23 3dh5 s THR 100 N 1.62 1.80 0.16 -0.82 2.01 -0.26 -4.95 115.64 115.21 3dh5 s THR 100 Ca 0.05 -1.29 -0.24 0.00 0.31 0.00 0.00 61.69 60.53 3dh5 s THR 100 Cb -0.17 -1.94 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 3dh5 s THR 100 CO 0.06 0.03 0.74 -1.58 -0.69 0.00 0.00 174.62 173.18 3dh5 s GLN 101 N 1.29 4.48 0.22 4.92 2.00 -1.26 -0.47 119.66 130.84 3dh5 s GLN 101 Ca -0.05 1.06 -0.18 0.00 -2.00 0.00 0.00 55.36 54.19 3dh5 s GLN 101 Cb -0.18 -3.21 0.02 0.00 0.80 0.00 0.00 33.01 30.44 3dh5 s GLN 101 CO -0.07 0.56 0.57 0.00 -0.50 0.00 0.00 175.29 175.85 3dh5 s ALA 102 N -1.19 -0.94 -0.24 1.58 0.00 -0.33 -4.98 121.76 115.67 3dh5 s ALA 102 Ca 0.36 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3dh5 s ALA 102 Cb -0.22 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.85 3dh5 s ALA 102 CO 0.24 -0.86 -0.05 -0.80 0.00 0.00 0.00 175.76 174.30 3dh5 s ASN 103 N -2.90 3.90 0.22 0.00 -0.87 -1.26 -0.59 114.94 113.44 3dh5 s ASN 103 Ca 0.11 -1.23 -0.13 0.00 -1.57 0.00 0.00 52.86 50.05 3dh5 s ASN 103 Cb -0.02 -1.19 -0.00 0.00 -0.02 0.00 0.00 41.25 40.02 3dh5 s ASN 103 CO 0.01 -0.25 0.44 -0.54 -2.57 0.00 0.00 177.10 174.19 3dh5 s LYS 104 N 1.38 1.43 0.41 -0.60 -0.14 -0.44 -4.80 119.74 116.99 3dh5 s LYS 104 Ca -0.05 -1.17 -0.24 0.00 -1.36 0.00 0.00 55.97 53.15 3dh5 s LYS 104 Cb -0.19 0.46 -0.09 0.00 -1.68 0.00 0.00 37.83 36.33 3dh5 s LYS 104 CO -0.07 -0.58 1.09 -1.01 -0.76 0.00 0.00 175.35 174.01 3dh5 s HIS 105 N -3.98 3.19 0.08 3.18 3.76 0.59 0.08 115.29 122.19 3dh5 s HIS 105 Ca 0.19 1.62 0.05 0.00 -0.15 0.00 0.00 55.06 56.76 3dh5 s HIS 105 Cb 0.00 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 3dh5 s HIS 105 CO 0.05 -0.86 -0.00 0.96 -0.85 0.00 0.00 174.74 174.04 3dh5 s ILE 106 N -1.59 4.02 -0.15 0.60 -4.36 -1.26 -0.51 121.20 117.96 3dh5 s ILE 106 Ca 0.58 -0.97 0.01 0.00 -0.26 0.00 0.00 60.65 60.01 3dh5 s ILE 106 Cb -0.24 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.58 3dh5 s ILE 106 CO 0.31 0.14 -0.16 -0.63 0.24 0.00 0.00 174.94 174.84 3dh5 s ILE 107 N -1.30 1.66 0.12 8.37 1.01 -0.13 -0.54 121.20 130.38 3dh5 s ILE 107 Ca 0.25 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.27 3dh5 s ILE 107 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3dh5 s ILE 107 CO 0.18 0.47 -0.16 0.68 0.00 0.00 0.00 174.94 176.11 3dh5 s VAL 108 N 1.35 1.44 -0.09 2.92 -7.23 -0.59 -0.60 120.40 117.60 3dh5 s VAL 108 Ca 0.03 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 3dh5 s VAL 108 Cb -0.13 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 3dh5 s VAL 108 CO -0.09 -0.31 0.31 0.00 -0.31 0.00 0.00 175.10 174.70 3dh5 s ALA 109 N -1.82 3.68 0.13 1.32 0.00 -0.53 -0.47 121.76 124.07 3dh5 s ALA 109 Ca 0.08 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 51.74 3dh5 s ALA 109 Cb -0.07 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3dh5 s ALA 109 CO 0.04 0.33 -0.22 0.00 0.00 0.00 0.00 175.76 175.91 3dh5 s GLU 111 N -2.17 1.15 0.00 0.00 2.02 -0.71 -4.88 118.70 114.11 3dh5 s GLU 111 Ca 0.17 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.96 3dh5 s GLU 111 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 34.13 34.66 3dh5 s GLU 111 CO 0.08 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.33 3dh5 n GLY 112 N 0.19 0.24 2.67 -1.39 0.00 -1.26 -2.38 105.19 103.27 3dh5 n GLY 112 Ca -0.18 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.55 3dh5 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dh5 s ASN 113 N -0.38 3.20 0.72 1.61 3.04 -1.26 -2.36 114.94 119.51 3dh5 s ASN 113 Ca 0.00 -1.07 -0.15 0.00 0.04 0.00 0.00 52.86 51.68 3dh5 s ASN 113 Cb 0.00 -0.55 0.03 0.00 -1.54 0.00 0.00 41.25 39.20 3dh5 s ASN 113 CO 0.00 -0.37 1.21 -2.16 -3.04 0.00 0.00 177.10 172.75 3dh5 s PRO 114 N 1.90 2.19 -0.64 0.43 0.04 -1.26 -5.08 135.00 132.58 3dh5 s PRO 114 Ca 0.04 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 3dh5 s PRO 114 Cb -0.17 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.60 3dh5 s PRO 114 CO -0.18 -1.80 0.95 -0.47 0.04 0.00 0.00 177.00 175.53 3dh5 s TYR 115 N -1.94 2.71 0.32 0.56 5.04 -1.00 -4.88 117.35 118.17 3dh5 s TYR 115 Ca 0.75 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.93 3dh5 s TYR 115 Cb -0.30 -4.23 -0.06 0.00 0.35 0.00 0.00 41.96 37.72 3dh5 s TYR 115 CO 0.45 -1.59 0.06 0.14 -1.34 0.00 0.00 175.55 173.27 3dh5 s VAL 116 N 3.98 1.20 0.18 3.14 -7.23 -1.00 -4.84 120.40 115.83 3dh5 s VAL 116 Ca 0.23 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.09 3dh5 s VAL 116 Cb -0.17 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 33.89 3dh5 s VAL 116 CO 0.11 -0.01 1.46 -2.84 -0.31 0.00 0.00 175.10 173.52 3dh5 s PRO 117 N -3.89 4.27 0.00 4.82 0.02 -1.26 -1.74 135.00 137.22 3dh5 s PRO 117 Ca 0.36 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3dh5 s PRO 117 Cb 0.09 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3dh5 s PRO 117 CO 0.15 -0.48 0.00 1.33 -0.33 0.00 0.00 177.00 177.67 3dh5 n VAL 118 N 3.36 0.00 -3.75 3.83 0.24 0.61 -4.47 118.33 118.15 3dh5 n VAL 118 Ca 0.10 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 3dh5 n VAL 118 Cb 0.40 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.51 3dh5 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3dh5 s HIS 119 N -1.21 -0.24 -0.35 6.34 3.76 -1.12 -4.66 115.29 117.81 3dh5 s HIS 119 Ca 0.00 0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 55.23 3dh5 s HIS 119 Cb 0.00 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.79 3dh5 s HIS 119 CO 0.00 -0.35 0.27 0.12 -0.85 0.00 0.00 174.74 173.94 3dh5 s PHE 120 N -0.95 3.23 -0.13 1.40 5.36 -1.26 -1.45 117.98 124.17 3dh5 s PHE 120 Ca -0.10 -0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.50 3dh5 s PHE 120 Cb -0.04 -2.53 -0.25 0.00 -0.34 0.00 0.00 43.02 39.85 3dh5 s PHE 120 CO 0.03 -0.40 0.46 0.22 -1.46 0.00 0.00 175.22 174.08 3dh5 h ASP 121 N 8.50 0.30 -5.76 6.13 3.58 -1.20 -3.49 116.42 124.48 3dh5 h ASP 121 Ca -0.30 -0.81 0.32 0.00 0.42 0.00 0.00 57.03 56.66 3dh5 h ASP 121 Cb 1.15 -0.10 -0.09 0.00 1.72 0.00 0.00 39.33 42.02 3dh5 h ASP 121 CO 0.66 1.61 0.84 0.00 -2.88 0.00 0.00 179.24 179.46 3dh5 s ALA 122 N -2.46 -2.28 0.12 -0.78 0.00 -1.13 -4.95 121.76 110.28 3dh5 s ALA 122 Ca -0.22 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3dh5 s ALA 122 Cb 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3dh5 s ALA 122 CO 0.73 -1.10 -0.16 -1.54 0.00 0.00 0.00 175.76 173.69 3dh5 s SER 123 N -3.41 2.18 0.00 0.00 1.04 -1.26 -0.96 113.70 111.29 3dh5 s SER 123 Ca 0.22 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3dh5 s SER 123 Cb 0.02 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3dh5 s SER 123 CO -0.01 -0.07 0.18 0.52 0.98 0.00 0.00 173.24 174.83