#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn9 s ALA 4 N 0.00 2.70 -0.10 -1.28 0.00 -0.07 -4.53 121.76 118.48 3dn9 s ALA 4 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3dn9 s ALA 4 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3dn9 s ALA 4 CO 0.00 -0.89 -0.22 0.54 0.00 0.00 0.00 175.76 175.19 3dn9 s VAL 5 N -2.46 2.29 0.05 0.00 0.11 -0.31 -1.96 120.40 118.13 3dn9 s VAL 5 Ca 0.64 -0.95 0.08 0.00 -2.93 0.00 0.00 61.98 58.82 3dn9 s VAL 5 Cb -0.17 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.77 3dn9 s VAL 5 CO 0.38 0.56 -0.23 -0.83 -3.33 0.00 0.00 175.10 171.64 3dn9 s GLY 6 N 0.21 1.27 -0.12 6.54 0.00 -0.47 -1.21 107.32 113.54 3dn9 s GLY 6 Ca -0.14 -1.18 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 3dn9 s GLY 6 CO 0.07 -1.10 0.40 -3.16 0.00 0.00 0.00 173.10 169.31 3dn9 s MET 7 N -1.32 0.53 -0.10 2.90 0.23 -0.73 -0.85 119.30 119.97 3dn9 s MET 7 Ca 0.10 0.42 0.02 0.00 -1.03 0.00 0.00 55.69 55.19 3dn9 s MET 7 Cb -0.09 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3dn9 s MET 7 CO 0.02 -0.09 -0.15 0.42 -2.03 0.00 0.00 175.02 173.19 3dn9 s ILE 8 N -0.11 1.46 -0.16 3.16 1.01 -0.87 -1.66 121.20 124.02 3dn9 s ILE 8 Ca -0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 3dn9 s ILE 8 Cb -0.03 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3dn9 s ILE 8 CO 0.02 0.43 0.00 -0.70 0.00 0.00 0.00 174.94 174.69 3dn9 s GLU 9 N 0.82 3.74 0.12 2.79 2.12 0.20 -1.79 118.70 126.71 3dn9 s GLU 9 Ca -0.10 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 54.88 3dn9 s GLU 9 Cb -0.16 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3dn9 s GLU 9 CO 0.01 0.28 -0.24 0.99 -0.54 0.00 0.00 175.26 175.76 3dn9 s THR 10 N 0.28 2.42 -0.60 -1.70 2.01 0.53 0.05 115.64 118.63 3dn9 s THR 10 Ca -0.01 -1.66 -0.23 0.00 0.31 0.00 0.00 61.69 60.11 3dn9 s THR 10 Cb -0.13 -2.07 0.06 0.00 0.01 0.00 0.00 72.50 70.36 3dn9 s THR 10 CO 0.02 0.12 0.93 -0.22 -0.69 0.00 0.00 174.62 174.77 3dn9 s LEU 11 N -2.01 4.30 0.00 4.42 0.20 -0.58 -1.68 118.68 123.33 3dn9 s LEU 11 Ca 0.15 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.27 3dn9 s LEU 11 Cb -0.10 -2.60 0.00 0.00 -0.43 0.00 0.00 46.19 43.06 3dn9 s LEU 11 CO 0.07 -1.30 0.00 0.61 -0.29 0.00 0.00 176.35 175.44 3dn9 n GLY 12 N 5.22 3.19 0.09 7.98 0.00 -0.94 -3.90 105.19 116.83 3dn9 n GLY 12 Ca -0.02 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 3dn9 n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dn9 h PHE 13 N 0.00 0.09 -1.01 1.61 3.57 -1.91 -3.28 116.94 116.01 3dn9 h PHE 13 Ca 0.00 -0.07 0.23 0.00 3.53 0.00 0.00 57.97 61.66 3dn9 h PHE 13 Cb 0.00 -0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.62 3dn9 h PHE 13 CO 0.00 1.25 0.61 -1.35 -2.23 0.00 0.00 178.31 176.58 3dn9 h PRO 14 N -0.87 0.61 -0.64 6.41 0.11 -2.00 -0.34 132.00 135.29 3dn9 h PRO 14 Ca -0.16 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 3dn9 h PRO 14 Cb 1.23 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3dn9 h PRO 14 CO -0.05 0.40 0.26 0.00 -0.21 0.00 0.00 178.00 178.41 3dn9 h ALA 15 N 1.69 1.27 0.00 -0.75 0.00 -1.91 -2.43 119.26 117.13 3dn9 h ALA 15 Ca 0.62 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 3dn9 h ALA 15 Cb 1.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3dn9 h ALA 15 CO -0.42 0.54 -0.36 -0.24 0.00 0.00 0.00 179.25 178.77 3dn9 h VAL 16 N 0.91 1.12 -0.01 0.00 3.04 -1.13 -1.38 116.25 118.81 3dn9 h VAL 16 Ca 0.22 -1.30 -0.25 0.00 -1.01 0.00 0.00 66.70 64.36 3dn9 h VAL 16 Cb 0.16 1.73 0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3dn9 h VAL 16 CO -0.02 0.35 -0.99 0.58 -1.01 0.00 0.00 177.57 176.48 3dn9 h VAL 17 N 0.00 1.33 -0.22 1.51 2.07 -1.10 0.18 116.25 120.01 3dn9 h VAL 17 Ca -0.00 -2.31 -0.04 0.00 0.82 0.00 0.00 66.70 65.16 3dn9 h VAL 17 Cb 0.70 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3dn9 h VAL 17 CO 0.05 0.71 -0.02 -0.08 0.02 0.00 0.00 177.57 178.24 3dn9 h GLU 18 N 0.34 0.40 0.03 1.57 4.57 -1.27 0.17 114.58 120.38 3dn9 h GLU 18 Ca -0.11 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 57.96 3dn9 h GLU 18 Cb 1.64 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.14 3dn9 h GLU 18 CO 0.19 0.61 -0.42 0.00 -1.18 0.00 0.00 179.01 178.21 3dn9 h ALA 19 N 0.78 -0.69 -0.51 2.92 0.00 -1.24 0.52 119.26 121.03 3dn9 h ALA 19 Ca 0.06 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3dn9 h ALA 19 Cb 0.44 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3dn9 h ALA 19 CO 0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 179.25 178.29 3dn9 h ALA 20 N -0.07 0.48 0.10 0.00 0.00 -0.48 0.25 119.26 119.53 3dn9 h ALA 20 Ca 0.04 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3dn9 h ALA 20 Cb 0.66 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3dn9 h ALA 20 CO -0.29 -0.39 -0.05 0.22 0.00 0.00 0.00 179.25 178.74 3dn9 h ASP 21 N 0.11 -0.11 -0.99 0.00 3.58 -0.32 -2.40 116.42 116.28 3dn9 h ASP 21 Ca 0.26 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.68 3dn9 h ASP 21 Cb 0.39 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 3dn9 h ASP 21 CO -0.44 -0.01 0.65 0.28 -2.88 0.00 0.00 179.24 176.85 3dn9 h SER 22 N -0.21 1.08 -0.13 2.28 0.02 -0.51 -2.16 113.55 113.91 3dn9 h SER 22 Ca -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3dn9 h SER 22 Cb 0.17 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3dn9 h SER 22 CO 0.02 0.73 0.07 0.24 -1.14 0.00 0.00 176.83 176.75 3dn9 h MET 23 N 1.24 0.19 0.00 3.45 2.86 -0.64 -1.20 114.93 120.83 3dn9 h MET 23 Ca 0.40 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3dn9 h MET 23 Cb 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3dn9 h MET 23 CO -0.13 0.22 0.00 -0.24 1.06 0.00 0.00 176.91 177.82 3dn9 h VAL 24 N 0.10 0.00 0.04 -2.22 3.04 -1.26 -3.00 116.25 112.95 3dn9 h VAL 24 Ca 0.05 -0.72 -0.26 0.00 -1.01 0.00 0.00 66.70 64.75 3dn9 h VAL 24 Cb 0.09 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 3dn9 h VAL 24 CO -0.01 0.00 -1.34 0.11 -1.01 0.00 0.00 177.57 175.32 3dn9 h LYS 25 N 0.00 0.08 0.00 4.17 1.57 -1.26 -3.37 116.57 117.75 3dn9 h LYS 25 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3dn9 h LYS 25 Cb 0.84 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3dn9 h LYS 25 CO 0.00 0.90 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 3dn9 h ALA 26 N 0.85 1.00 -2.58 3.86 0.00 -1.07 -3.47 119.26 117.85 3dn9 h ALA 26 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.89 3dn9 h ALA 26 Cb 1.91 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 3dn9 h ALA 26 CO 0.13 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.79 3dn9 s ALA 27 N -3.26 -1.46 -1.22 0.00 0.00 -1.23 -4.77 121.76 109.83 3dn9 s ALA 27 Ca 0.07 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.70 3dn9 s ALA 27 Cb 0.09 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3dn9 s ALA 27 CO 0.58 -1.04 1.80 1.03 0.00 0.00 0.00 175.76 178.13 3dn9 s ARG 28 N -3.20 3.34 0.05 0.00 0.52 -1.26 -4.76 118.95 113.65 3dn9 s ARG 28 Ca 0.14 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 3dn9 s ARG 28 Cb -0.03 -5.40 -0.03 0.00 0.52 0.00 0.00 34.95 30.02 3dn9 s ARG 28 CO 0.05 -2.94 -0.10 0.14 0.02 0.00 0.00 175.30 172.47 3dn9 s VAL 29 N 7.05 0.71 -0.19 3.52 -7.23 -1.26 -4.40 120.40 118.60 3dn9 s VAL 29 Ca 0.59 -1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 3dn9 s VAL 29 Cb 0.01 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3dn9 s VAL 29 CO 0.08 -0.35 0.40 -0.89 -0.31 0.00 0.00 175.10 174.03 3dn9 s THR 30 N -1.41 5.21 -0.38 5.32 2.01 -0.24 -4.87 115.64 121.28 3dn9 s THR 30 Ca -0.07 0.73 -0.27 0.00 0.31 0.00 0.00 61.69 62.39 3dn9 s THR 30 Cb -0.10 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.70 3dn9 s THR 30 CO 0.01 0.27 0.99 -0.22 -0.69 0.00 0.00 174.62 174.98 3dn9 s LEU 31 N 1.14 3.92 -0.51 4.42 2.96 -1.26 -1.57 118.68 127.78 3dn9 s LEU 31 Ca 0.20 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 3dn9 s LEU 31 Cb -0.15 -3.37 0.43 0.00 0.50 0.00 0.00 46.19 43.60 3dn9 s LEU 31 CO 0.08 -0.94 1.48 1.33 -1.32 0.00 0.00 176.35 176.98 3dn9 n VAL 32 N 6.11 2.89 -0.98 1.68 0.24 -0.07 -5.00 118.33 123.20 3dn9 n VAL 32 Ca 0.09 -4.21 0.00 0.00 -2.04 0.00 0.00 64.34 58.17 3dn9 n VAL 32 Cb 0.48 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 3dn9 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dn9 n GLY 33 N -0.65 -2.64 3.11 7.63 0.00 -1.25 -4.65 105.19 106.74 3dn9 n GLY 33 Ca 0.48 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3dn9 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dn9 s TYR 34 N -0.60 0.69 -0.08 1.61 -0.85 -1.26 -1.72 117.35 115.14 3dn9 s TYR 34 Ca 0.00 -0.81 0.05 0.00 -0.52 0.00 0.00 57.07 55.79 3dn9 s TYR 34 Cb 0.00 -0.43 -0.00 0.00 0.38 0.00 0.00 41.96 41.91 3dn9 s TYR 34 CO 0.00 -0.19 -0.22 -2.00 -1.52 0.00 0.00 175.55 171.62 3dn9 s GLU 35 N -3.05 2.61 -0.12 -3.49 2.56 0.15 -4.92 118.70 112.46 3dn9 s GLU 35 Ca 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 54.97 54.14 3dn9 s GLU 35 Cb 0.00 -2.09 -0.03 0.00 2.00 0.00 0.00 34.13 34.01 3dn9 s GLU 35 CO -0.04 0.24 0.03 0.15 -0.56 0.00 0.00 175.26 175.08 3dn9 s LYS 36 N 0.17 3.30 -0.01 4.30 1.02 -1.26 -0.05 119.74 127.22 3dn9 s LYS 36 Ca -0.12 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.51 3dn9 s LYS 36 Cb -0.16 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3dn9 s LYS 36 CO 0.06 0.59 0.73 0.44 -0.92 0.00 0.00 175.35 176.25 3dn9 n ILE 37 N 2.51 0.41 0.00 2.17 -5.35 -0.88 -5.04 119.36 113.19 3dn9 n ILE 37 Ca -0.18 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 3dn9 n ILE 37 Cb 0.53 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 3dn9 n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dn9 n GLY 38 N -0.23 -0.60 2.44 3.28 0.00 -1.26 -4.91 105.19 103.91 3dn9 n GLY 38 Ca 0.01 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 3dn9 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dn9 n SER 39 N -1.45 -5.74 -1.12 1.61 7.64 -1.26 -2.35 113.62 110.95 3dn9 n SER 39 Ca 0.00 0.10 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 3dn9 n SER 39 Cb 0.00 -4.84 -0.03 0.00 -1.01 0.00 0.00 64.21 58.33 3dn9 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dn9 n GLY 40 N -0.87 0.61 3.48 0.23 0.00 -1.26 -4.97 105.19 102.41 3dn9 n GLY 40 Ca -0.24 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 3dn9 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dn9 s ARG 41 N -3.77 3.66 0.02 1.61 0.52 -0.99 -2.23 118.95 117.78 3dn9 s ARG 41 Ca 0.00 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3dn9 s ARG 41 Cb 0.00 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 3dn9 s ARG 41 CO 0.00 -0.24 -0.13 0.14 0.02 0.00 0.00 175.30 175.09 3dn9 s VAL 42 N 1.65 1.04 -0.07 3.52 -7.23 -0.67 -2.07 120.40 116.57 3dn9 s VAL 42 Ca 0.06 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 3dn9 s VAL 42 Cb -0.16 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.88 3dn9 s VAL 42 CO 0.06 0.09 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.98 3dn9 s THR 43 N -0.65 0.88 0.12 5.32 2.01 0.93 -0.35 115.64 123.90 3dn9 s THR 43 Ca 0.02 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 3dn9 s THR 43 Cb -0.07 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.51 3dn9 s THR 43 CO 0.01 0.32 0.51 -0.69 -0.69 0.00 0.00 174.62 174.07 3dn9 s VAL 44 N 1.17 4.91 -0.02 3.82 1.01 -0.74 0.33 120.40 130.89 3dn9 s VAL 44 Ca -0.06 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.71 3dn9 s VAL 44 Cb -0.14 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3dn9 s VAL 44 CO -0.02 0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.64 3dn9 s ILE 45 N -1.41 0.83 0.16 2.22 1.01 -0.70 -2.06 121.20 121.25 3dn9 s ILE 45 Ca 0.36 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.62 3dn9 s ILE 45 Cb -0.15 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3dn9 s ILE 45 CO 0.19 0.25 -0.00 0.68 0.00 0.00 0.00 174.94 176.06 3dn9 s VAL 46 N 0.11 0.62 -0.01 2.92 -7.23 -0.03 -0.89 120.40 115.90 3dn9 s VAL 46 Ca -0.02 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3dn9 s VAL 46 Cb -0.08 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3dn9 s VAL 46 CO 0.00 -0.52 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.11 3dn9 s ARG 47 N -3.92 0.39 0.00 4.82 1.81 -0.61 -1.37 118.95 120.07 3dn9 s ARG 47 Ca 0.23 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 3dn9 s ARG 47 Cb 0.06 -0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.15 3dn9 s ARG 47 CO 0.03 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 3dn9 n GLY 48 N 3.22 -1.32 3.59 -3.53 0.00 -0.83 -1.08 105.19 105.24 3dn9 n GLY 48 Ca -0.16 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 3dn9 n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dn9 n ASP 49 N 1.42 0.78 -0.34 1.61 9.92 -1.26 -0.89 116.55 127.79 3dn9 n ASP 49 Ca 0.00 0.93 0.08 0.00 -0.53 0.00 0.00 54.79 55.27 3dn9 n ASP 49 Cb 0.00 -1.33 0.27 0.00 -0.64 0.00 0.00 41.12 39.42 3dn9 n ASP 49 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 3dn9 h VAL 50 N 1.09 0.91 -0.03 2.53 3.04 -1.90 -0.68 116.25 121.21 3dn9 h VAL 50 Ca -0.45 -0.32 -0.16 0.00 -1.01 0.00 0.00 66.70 64.76 3dn9 h VAL 50 Cb 1.35 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3dn9 h VAL 50 CO 0.54 0.17 -0.69 0.77 -1.01 0.00 0.00 177.57 177.35 3dn9 h SER 51 N 0.94 0.18 -0.15 3.17 4.64 -2.00 -2.02 113.55 118.31 3dn9 h SER 51 Ca 0.48 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.55 3dn9 h SER 51 Cb 0.51 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3dn9 h SER 51 CO -0.24 0.81 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.78 3dn9 h GLU 52 N 0.11 0.54 -0.95 4.77 4.39 -1.76 -1.97 114.58 119.71 3dn9 h GLU 52 Ca -0.01 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.32 3dn9 h GLU 52 Cb 1.22 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 3dn9 h GLU 52 CO 0.10 1.00 0.63 0.28 -1.16 0.00 0.00 179.01 179.86 3dn9 h VAL 53 N 0.17 1.22 0.01 3.13 2.07 -1.10 0.45 116.25 122.20 3dn9 h VAL 53 Ca -0.01 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3dn9 h VAL 53 Cb 1.03 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3dn9 h VAL 53 CO 0.09 0.23 -0.01 1.56 0.02 0.00 0.00 177.57 179.46 3dn9 h GLN 54 N 1.26 -0.01 -0.67 1.57 4.20 -1.34 0.27 115.11 120.38 3dn9 h GLN 54 Ca 0.36 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.20 3dn9 h GLN 54 Cb -0.11 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.57 3dn9 h GLN 54 CO -0.09 0.09 0.13 0.00 -0.67 0.00 0.00 178.83 178.29 3dn9 h ALA 55 N 0.88 0.81 -0.13 3.87 0.00 -0.95 -1.72 119.26 122.02 3dn9 h ALA 55 Ca -0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dn9 h ALA 55 Cb 0.11 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dn9 h ALA 55 CO 0.00 -0.33 0.05 0.77 0.00 0.00 0.00 179.25 179.74 3dn9 h SER 56 N 0.25 0.18 -0.49 0.00 0.02 -0.48 -2.60 113.55 110.43 3dn9 h SER 56 Ca 0.37 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3dn9 h SER 56 Cb 0.59 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3dn9 h SER 56 CO -0.47 0.30 -0.12 0.58 -1.14 0.00 0.00 176.83 175.98 3dn9 h VAL 57 N 0.05 1.27 -0.34 2.27 2.07 -0.53 0.09 116.25 121.14 3dn9 h VAL 57 Ca 0.04 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.34 3dn9 h VAL 57 Cb 0.18 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3dn9 h VAL 57 CO -0.00 0.44 0.12 0.74 0.02 0.00 0.00 177.57 178.88 3dn9 h THR 58 N 0.80 0.91 -0.73 2.57 2.02 -1.34 0.44 112.91 117.58 3dn9 h THR 58 Ca 0.12 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 3dn9 h THR 58 Cb 0.68 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3dn9 h THR 58 CO 0.05 0.05 0.20 0.00 0.37 0.00 0.00 175.52 176.19 3dn9 h ALA 59 N 1.21 0.96 0.21 6.16 0.00 -1.29 -2.30 119.26 124.22 3dn9 h ALA 59 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dn9 h ALA 59 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3dn9 h ALA 59 CO -0.15 0.67 -0.10 0.78 0.00 0.00 0.00 179.25 180.44 3dn9 h GLY 60 N 1.10 -0.30 0.98 0.00 0.00 -0.30 -2.20 103.07 102.35 3dn9 h GLY 60 Ca 0.23 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3dn9 h GLY 60 CO -0.00 -0.11 0.26 -2.22 0.00 0.00 0.00 176.54 174.47 3dn9 h ILE 61 N -0.29 1.16 -0.40 2.60 2.04 -0.90 -2.90 117.51 118.82 3dn9 h ILE 61 Ca -0.03 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.51 3dn9 h ILE 61 Cb 0.22 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 3dn9 h ILE 61 CO 0.04 0.17 -0.00 -0.33 0.00 0.00 0.00 178.15 178.03 3dn9 h GLU 62 N 0.61 0.10 0.00 2.37 5.08 -1.37 -3.16 114.58 118.21 3dn9 h GLU 62 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dn9 h GLU 62 Cb 0.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3dn9 h GLU 62 CO -0.03 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 3dn9 n ASN 63 N -5.20 0.00 0.01 1.42 3.02 -0.83 -2.37 115.26 111.31 3dn9 n ASN 63 Ca 0.03 0.48 0.10 0.00 -0.03 0.00 0.00 54.58 55.16 3dn9 n ASN 63 Cb 0.21 -0.49 0.43 0.00 -0.61 0.00 0.00 39.78 39.32 3dn9 n ASN 63 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3dn9 n ILE 64 N -1.49 0.62 0.22 2.41 -6.64 -1.17 -1.28 119.36 112.04 3dn9 n ILE 64 Ca 0.07 0.14 0.07 0.00 -1.77 0.00 0.00 62.75 61.26 3dn9 n ILE 64 Cb 0.32 -0.82 0.57 0.00 -1.44 0.00 0.00 39.64 38.27 3dn9 n ILE 64 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 3dn9 h ARG 65 N 0.00 0.05 -0.10 6.28 3.08 -1.64 -2.73 114.38 119.31 3dn9 h ARG 65 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3dn9 h ARG 65 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3dn9 h ARG 65 CO 0.00 0.11 -0.30 0.00 -1.07 0.00 0.00 179.97 178.70 3dn9 h ARG 66 N 0.05 0.20 -6.23 0.04 3.08 -1.39 -3.44 114.38 106.68 3dn9 h ARG 66 Ca 0.01 -0.07 -0.56 0.00 0.07 0.00 0.00 59.98 59.43 3dn9 h ARG 66 Cb 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3dn9 h ARG 66 CO 0.01 0.49 0.70 0.08 -1.07 0.00 0.00 179.97 180.18 3dn9 s VAL 67 N -4.36 4.50 -0.08 2.04 1.01 -1.03 -4.99 120.40 117.48 3dn9 s VAL 67 Ca -0.05 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 3dn9 s VAL 67 Cb 0.14 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3dn9 s VAL 67 CO 0.75 -0.05 1.72 0.20 0.00 0.00 0.00 175.10 177.72 3dn9 s ASN 68 N 1.38 6.51 0.00 3.32 0.01 -1.26 -2.41 114.94 122.49 3dn9 s ASN 68 Ca 0.51 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.82 3dn9 s ASN 68 Cb -0.21 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3dn9 s ASN 68 CO 0.17 -1.07 0.00 0.61 -1.51 0.00 0.00 177.10 175.30 3dn9 n GLY 69 N 4.39 0.71 3.79 0.66 0.00 -1.26 -5.04 105.19 108.45 3dn9 n GLY 69 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3dn9 n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dn9 s GLY 70 N -1.95 2.70 -0.03 -0.02 0.00 -1.01 -4.98 107.32 102.02 3dn9 s GLY 70 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 3dn9 s GLY 70 CO 0.00 0.84 0.07 -0.54 0.00 0.00 0.00 173.10 173.48 3dn9 s GLU 71 N -2.22 0.04 -0.13 2.90 2.02 -1.25 -4.92 118.70 115.13 3dn9 s GLU 71 Ca 0.51 0.19 -0.25 0.00 0.02 0.00 0.00 54.97 55.45 3dn9 s GLU 71 Cb -0.17 -0.11 -0.02 0.00 0.10 0.00 0.00 34.13 33.93 3dn9 s GLU 71 CO 0.22 -0.10 0.79 0.08 0.02 0.00 0.00 175.26 176.26 3dn9 s VAL 72 N 0.66 4.94 -0.20 2.63 1.01 -1.26 -1.52 120.40 126.65 3dn9 s VAL 72 Ca -0.05 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 3dn9 s VAL 72 Cb -0.07 -4.11 -0.20 0.00 0.00 0.00 0.00 36.38 32.01 3dn9 s VAL 72 CO -0.02 0.11 0.10 0.18 0.00 0.00 0.00 175.10 175.47 3dn9 n LEU 73 N 4.67 2.24 -4.03 3.92 4.77 0.11 -4.90 117.00 123.78 3dn9 n LEU 73 Ca 0.02 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3dn9 n LEU 73 Cb 0.50 -0.98 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 3dn9 n LEU 73 CO 0.48 0.58 0.12 -0.94 -1.33 0.00 0.00 177.39 176.30 3dn9 s SER 74 N -6.99 0.03 0.07 -1.43 1.04 -1.10 -5.02 113.70 100.29 3dn9 s SER 74 Ca -0.30 -1.05 -0.27 0.00 0.48 0.00 0.00 55.95 54.82 3dn9 s SER 74 Cb 0.08 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.84 3dn9 s SER 74 CO 0.63 -1.12 0.64 0.54 0.98 0.00 0.00 173.24 174.91 3dn9 s ASN 75 N -3.06 -0.61 0.06 7.02 2.20 -1.26 -0.62 114.94 118.67 3dn9 s ASN 75 Ca 0.26 0.31 -0.26 0.00 -0.94 0.00 0.00 52.86 52.23 3dn9 s ASN 75 Cb 0.00 0.57 0.09 0.00 -2.00 0.00 0.00 41.25 39.91 3dn9 s ASN 75 CO 0.10 -0.81 0.74 -2.28 -2.94 0.00 0.00 177.10 171.92 3dn9 s HIS 76 N -2.62 -0.46 -0.01 1.54 2.46 -0.66 -5.02 115.29 110.51 3dn9 s HIS 76 Ca -0.04 0.34 0.02 0.00 0.47 0.00 0.00 55.06 55.85 3dn9 s HIS 76 Cb -0.01 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.98 3dn9 s HIS 76 CO -0.03 -0.68 -0.05 0.42 -2.47 0.00 0.00 174.74 171.93 3dn9 s ILE 77 N -3.20 0.42 -0.16 0.89 1.01 -1.26 -1.78 121.20 117.12 3dn9 s ILE 77 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3dn9 s ILE 77 Cb -0.01 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.10 3dn9 s ILE 77 CO -0.09 0.14 -0.20 -0.63 0.00 0.00 0.00 174.94 174.15 3dn9 s ILE 78 N 0.09 2.00 0.04 2.92 1.01 -0.35 -5.01 121.20 121.90 3dn9 s ILE 78 Ca -0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 3dn9 s ILE 78 Cb -0.05 -1.80 -0.25 0.00 0.01 0.00 0.00 42.46 40.37 3dn9 s ILE 78 CO -0.00 0.53 1.12 0.00 0.00 0.00 0.00 174.94 176.59 3dn9 h ALA 79 N 7.72 0.07 -2.51 9.38 0.00 -1.93 -0.80 119.26 131.19 3dn9 h ALA 79 Ca -0.40 -0.67 -0.60 0.00 0.00 0.00 0.00 54.91 53.24 3dn9 h ALA 79 Cb 1.16 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 3dn9 h ALA 79 CO 0.60 0.55 -0.85 0.54 0.00 0.00 0.00 179.25 180.08 3dn9 n ARG 80 N -3.98 0.88 -2.13 0.00 1.74 -1.26 -3.20 116.66 108.70 3dn9 n ARG 80 Ca -0.12 -3.65 -0.41 0.00 -0.77 0.00 0.00 57.85 52.90 3dn9 n ARG 80 Cb 0.83 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3dn9 n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dn9 s PRO 81 N -0.70 4.36 0.32 5.56 0.04 -1.26 -4.96 135.00 138.35 3dn9 s PRO 81 Ca 0.31 2.19 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 3dn9 s PRO 81 Cb 0.04 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 3dn9 s PRO 81 CO -0.17 -0.22 1.32 -1.58 0.04 0.00 0.00 177.00 176.39 3dn9 s HIS 82 N -0.74 3.06 0.35 0.56 2.46 -1.26 -4.91 115.29 114.80 3dn9 s HIS 82 Ca 0.52 1.37 0.11 0.00 0.47 0.00 0.00 55.06 57.53 3dn9 s HIS 82 Cb -0.39 -3.68 0.89 0.00 -0.13 0.00 0.00 32.58 29.27 3dn9 s HIS 82 CO 0.48 -1.92 1.79 1.49 -2.47 0.00 0.00 174.74 174.12 3dn9 h GLU 83 N 3.63 0.59 -0.51 2.88 4.81 -2.04 -1.88 114.58 122.07 3dn9 h GLU 83 Ca -0.48 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 58.83 3dn9 h GLU 83 Cb 1.22 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3dn9 h GLU 83 CO 0.67 0.39 0.35 -0.97 -0.73 0.00 0.00 179.01 178.72 3dn9 h ASN 84 N 0.61 0.15 0.61 1.04 -0.00 -2.03 -2.43 115.58 113.52 3dn9 h ASN 84 Ca 0.57 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.74 3dn9 h ASN 84 Cb 1.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 39.37 3dn9 h ASN 84 CO -0.33 0.09 -0.62 -0.07 -0.00 0.00 0.00 177.43 176.49 3dn9 h LEU 85 N 0.17 0.01 -0.90 0.34 4.07 -1.72 -3.24 115.31 114.05 3dn9 h LEU 85 Ca 0.24 -0.01 0.21 0.00 0.08 0.00 0.00 57.88 58.40 3dn9 h LEU 85 Cb 0.72 -0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.34 3dn9 h LEU 85 CO -0.04 0.63 0.42 -0.33 -1.08 0.00 0.00 178.44 178.04 3dn9 h GLU 86 N 0.01 0.44 -0.00 1.13 4.39 -1.57 0.04 114.58 119.01 3dn9 h GLU 86 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3dn9 h GLU 86 Cb 1.10 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3dn9 h GLU 86 CO 0.08 0.29 -0.60 2.48 -1.16 0.00 0.00 179.01 180.10 3dn9 n TYR 87 N -5.00 0.00 -0.04 4.33 4.11 -1.23 -4.35 117.16 114.98 3dn9 n TYR 87 Ca 0.22 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.93 3dn9 n TYR 87 Cb 0.62 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.83 3dn9 n TYR 87 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3dn9 n VAL 88 N -0.89 1.67 -4.09 -3.48 0.31 -1.07 -4.98 118.33 105.80 3dn9 n VAL 88 Ca 0.05 -0.66 -0.30 0.00 -0.01 0.00 0.00 64.34 63.42 3dn9 n VAL 88 Cb 0.29 -1.49 -0.07 0.00 -0.91 0.00 0.00 33.84 31.66 3dn9 n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dn9 s LEU 89 N -6.70 3.66 -1.16 7.52 1.43 -0.02 -5.02 118.68 118.38 3dn9 s LEU 89 Ca -0.23 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3dn9 s LEU 89 Cb 0.07 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 3dn9 s LEU 89 CO 0.74 0.16 3.02 -0.81 0.23 0.00 0.00 176.35 179.68 3dn9 n PRO 90 N 0.37 3.40 -0.20 1.29 -0.04 -1.26 -4.36 135.00 134.20 3dn9 n PRO 90 Ca -0.09 -2.13 0.06 0.00 -0.04 0.00 0.00 63.50 61.29 3dn9 n PRO 90 Cb 0.52 -2.56 0.16 0.00 -0.04 0.00 0.00 33.50 31.58 3dn9 n PRO 90 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3dn9 n ILE 91 N 2.92 1.14 1.08 0.52 -5.35 -1.26 -4.93 119.36 113.48 3dn9 n ILE 91 Ca 0.67 -1.10 0.12 0.00 -0.27 0.00 0.00 62.75 62.18 3dn9 n ILE 91 Cb 0.40 0.42 0.17 0.00 -1.74 0.00 0.00 39.64 38.89 3dn9 n ILE 91 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68