#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn4 n ASN 2 N 0.00 -2.15 -0.15 6.12 0.23 -1.26 -5.03 115.26 113.03 3dn4 n ASN 2 Ca 0.00 -2.67 0.04 0.00 -0.53 0.00 0.00 54.58 51.42 3dn4 n ASN 2 Cb 0.00 3.63 0.34 0.00 -2.08 0.00 0.00 39.78 41.67 3dn4 n ASN 2 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3dn4 h ILE 3 N 2.01 1.10 -0.03 1.53 6.09 -1.96 0.51 117.51 126.75 3dn4 h ILE 3 Ca -0.33 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 3dn4 h ILE 3 Cb 1.24 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 3dn4 h ILE 3 CO 0.42 0.14 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.37 3dn4 h PHE 4 N 0.79 0.07 -0.25 2.19 0.04 -1.99 -1.27 116.94 116.53 3dn4 h PHE 4 Ca 0.26 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.95 3dn4 h PHE 4 Cb 0.05 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3dn4 h PHE 4 CO -0.00 0.45 -0.13 0.93 -0.60 0.00 0.00 178.31 178.96 3dn4 h GLU 5 N -0.33 0.41 0.16 1.51 5.08 -1.89 -0.97 114.58 118.55 3dn4 h GLU 5 Ca 0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3dn4 h GLU 5 Cb 0.43 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dn4 h GLU 5 CO 0.00 0.54 -0.08 1.98 -1.00 0.00 0.00 179.01 180.46 3dn4 h MET 6 N 0.38 -0.21 -0.06 2.33 4.05 -0.84 -2.13 114.93 118.44 3dn4 h MET 6 Ca 0.07 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.40 3dn4 h MET 6 Cb 0.46 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3dn4 h MET 6 CO 0.03 0.12 -0.44 -0.07 0.23 0.00 0.00 176.91 176.78 3dn4 h LEU 7 N -0.55 0.15 -0.78 3.39 3.38 -1.18 -1.93 115.31 117.79 3dn4 h LEU 7 Ca -0.02 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dn4 h LEU 7 Cb 0.42 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3dn4 h LEU 7 CO 0.04 0.57 0.49 -0.09 0.09 0.00 0.00 178.44 179.54 3dn4 h ARG 8 N 0.12 0.93 0.07 1.13 9.65 -1.12 0.21 114.38 125.37 3dn4 h ARG 8 Ca 0.01 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3dn4 h ARG 8 Cb 0.82 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3dn4 h ARG 8 CO 0.06 0.61 -0.04 0.82 2.80 0.00 0.00 179.97 184.23 3dn4 h ILE 9 N 0.95 1.03 -0.17 1.20 2.04 -0.96 -1.34 117.51 120.26 3dn4 h ILE 9 Ca 0.32 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 3dn4 h ILE 9 Cb 0.04 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3dn4 h ILE 9 CO -0.12 0.09 -0.41 0.44 0.00 0.00 0.00 178.15 178.15 3dn4 h ASP 10 N -0.25 0.42 0.17 1.72 3.32 -1.08 -3.31 116.42 117.40 3dn4 h ASP 10 Ca -0.01 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 3dn4 h ASP 10 Cb 0.22 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3dn4 h ASP 10 CO 0.02 0.78 -1.93 -0.62 -1.72 0.00 0.00 179.24 175.77 3dn4 n GLU 11 N -4.02 0.66 -0.23 3.56 -0.58 0.73 -5.08 120.64 115.67 3dn4 n GLU 11 Ca -0.02 -0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.67 3dn4 n GLU 11 Cb 0.50 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.78 3dn4 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn4 n GLY 12 N 1.38 -1.87 2.71 0.62 0.00 -0.51 -4.34 105.19 103.17 3dn4 n GLY 12 Ca -0.11 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 3dn4 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dn4 s LEU 13 N 0.00 0.43 -0.04 0.99 2.96 -1.26 -4.24 118.68 117.52 3dn4 s LEU 13 Ca 0.00 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3dn4 s LEU 13 Cb 0.00 -0.31 0.02 0.00 0.50 0.00 0.00 46.19 46.40 3dn4 s LEU 13 CO 0.00 -0.24 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.61 3dn4 s ARG 14 N 2.06 0.87 0.00 1.98 0.52 -0.78 -5.02 118.95 118.58 3dn4 s ARG 14 Ca 0.04 -0.12 0.26 0.00 -0.52 0.00 0.00 55.73 55.39 3dn4 s ARG 14 Cb -0.13 -0.86 0.58 0.00 0.52 0.00 0.00 34.95 35.06 3dn4 s ARG 14 CO -0.05 -0.07 1.46 1.28 0.02 0.00 0.00 175.30 177.94 3dn4 n LEU 15 N 4.01 1.74 -4.39 2.53 4.77 -1.26 -0.02 117.00 124.39 3dn4 n LEU 15 Ca -0.25 -0.57 -0.28 0.00 -0.03 0.00 0.00 56.01 54.87 3dn4 n LEU 15 Cb 0.51 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 3dn4 n LEU 15 CO 0.24 0.31 -0.56 -0.54 -1.33 0.00 0.00 177.39 175.50 3dn4 s LYS 16 N -2.26 1.40 0.12 3.23 1.02 -1.26 -1.22 119.74 120.78 3dn4 s LYS 16 Ca 0.28 -1.36 -0.35 0.00 0.02 0.00 0.00 55.97 54.56 3dn4 s LYS 16 Cb 0.20 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.50 3dn4 s LYS 16 CO 0.44 0.44 1.55 -0.89 -0.92 0.00 0.00 175.35 175.96 3dn4 n ILE 17 N 0.85 0.04 -4.27 2.17 5.41 -0.84 -4.74 119.36 117.98 3dn4 n ILE 17 Ca -0.17 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 3dn4 n ILE 17 Cb 0.53 -1.39 -0.10 0.00 -0.71 0.00 0.00 39.64 37.97 3dn4 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3dn4 s TYR 18 N 1.05 1.36 -0.16 1.39 1.13 0.08 -4.96 117.35 117.25 3dn4 s TYR 18 Ca 0.81 -1.24 -0.13 0.00 -1.41 0.00 0.00 57.07 55.11 3dn4 s TYR 18 Cb -0.75 -0.76 -0.05 0.00 -1.10 0.00 0.00 41.96 39.31 3dn4 s TYR 18 CO 0.41 -0.43 0.26 0.15 -2.51 0.00 0.00 175.55 173.43 3dn4 s LYS 19 N -4.07 4.21 0.46 -3.49 1.02 -1.26 0.19 119.74 116.80 3dn4 s LYS 19 Ca 0.37 0.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.32 3dn4 s LYS 19 Cb 0.07 -3.41 0.11 0.00 -0.52 0.00 0.00 37.83 34.09 3dn4 s LYS 19 CO 0.12 0.28 0.46 -0.40 -0.92 0.00 0.00 175.35 174.88 3dn4 n ASP 20 N 3.46 -1.07 0.32 2.83 5.68 0.72 -4.80 116.55 123.69 3dn4 n ASP 20 Ca -0.13 -0.87 0.20 0.00 -0.50 0.00 0.00 54.79 53.49 3dn4 n ASP 20 Cb 0.52 -0.40 1.04 0.00 -1.14 0.00 0.00 41.12 41.14 3dn4 n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dn4 h THR 21 N -1.82 0.10 -0.02 2.12 1.35 -1.99 -1.15 112.91 111.49 3dn4 h THR 21 Ca -0.16 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3dn4 h THR 21 Cb 0.49 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3dn4 h THR 21 CO 0.11 0.01 -0.00 -0.62 -0.25 0.00 0.00 175.52 174.77 3dn4 n GLU 22 N -3.20 2.10 -0.53 4.72 -0.58 -1.26 -4.95 120.64 116.94 3dn4 n GLU 22 Ca -0.02 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.12 3dn4 n GLU 22 Cb 0.14 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3dn4 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dn4 n GLY 23 N 1.29 0.70 3.88 0.62 0.00 -0.44 -5.07 105.19 106.17 3dn4 n GLY 23 Ca 0.16 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3dn4 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dn4 s TYR 24 N -2.00 3.60 0.22 1.61 2.02 -1.26 -4.72 117.35 116.82 3dn4 s TYR 24 Ca 0.00 0.54 -0.32 0.00 -0.37 0.00 0.00 57.07 56.92 3dn4 s TYR 24 Cb 0.00 -1.95 -0.12 0.00 -0.40 0.00 0.00 41.96 39.49 3dn4 s TYR 24 CO 0.00 0.73 1.70 0.66 -1.57 0.00 0.00 175.55 177.08 3dn4 n TYR 25 N 2.00 2.76 -3.83 2.71 4.01 -1.22 -0.20 117.16 123.38 3dn4 n TYR 25 Ca -0.20 0.07 -0.09 0.00 -0.16 0.00 0.00 57.90 57.52 3dn4 n TYR 25 Cb 0.55 -2.66 -0.07 0.00 -0.31 0.00 0.00 39.34 36.85 3dn4 n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dn4 s THR 26 N 1.00 0.13 0.15 -0.72 2.01 0.13 -1.03 115.64 117.31 3dn4 s THR 26 Ca 0.74 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 3dn4 s THR 26 Cb -0.51 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 70.75 3dn4 s THR 26 CO 0.35 -0.59 0.30 -0.51 -0.69 0.00 0.00 174.62 173.48 3dn4 s ILE 27 N -3.64 0.08 0.00 1.82 2.07 -0.67 -0.74 121.20 120.12 3dn4 s ILE 27 Ca 0.03 -1.20 0.00 0.00 -1.41 0.00 0.00 60.65 58.07 3dn4 s ILE 27 Cb 0.04 -1.63 0.00 0.00 0.13 0.00 0.00 42.46 40.99 3dn4 s ILE 27 CO -0.10 -0.37 0.00 0.61 -1.91 0.00 0.00 174.94 173.17 3dn4 n GLY 28 N -0.19 2.38 3.06 1.50 0.00 0.97 -0.96 105.19 111.95 3dn4 n GLY 28 Ca -0.10 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3dn4 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dn4 n ILE 29 N 0.00 4.53 -3.53 -0.61 5.41 -1.26 -1.86 119.36 122.03 3dn4 n ILE 29 Ca 0.00 -5.60 -0.25 0.00 1.00 0.00 0.00 62.75 57.90 3dn4 n ILE 29 Cb 0.00 -2.27 0.06 0.00 -0.71 0.00 0.00 39.64 36.72 3dn4 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dn4 n GLY 30 N 1.79 -0.53 3.49 7.39 0.00 -1.24 -4.90 105.19 111.20 3dn4 n GLY 30 Ca 0.25 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 3dn4 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dn4 s HIS 31 N -3.27 2.53 0.14 1.61 5.04 -0.13 -4.94 115.29 116.27 3dn4 s HIS 31 Ca 0.54 -0.33 -0.31 0.00 -1.54 0.00 0.00 55.06 53.42 3dn4 s HIS 31 Cb -0.25 -4.41 -0.10 0.00 0.04 0.00 0.00 32.58 27.85 3dn4 s HIS 31 CO 0.66 -1.80 1.79 -1.17 -2.34 0.00 0.00 174.74 171.88 3dn4 s LEU 32 N 4.70 4.39 -0.19 8.88 2.96 -1.26 -1.66 118.68 136.49 3dn4 s LEU 32 Ca 0.28 2.75 -0.16 0.00 -0.22 0.00 0.00 54.13 56.77 3dn4 s LEU 32 Cb -0.13 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.78 3dn4 s LEU 32 CO 0.13 -0.98 0.19 0.18 -1.32 0.00 0.00 176.35 174.54 3dn4 n LEU 33 N 5.31 2.11 -3.56 -0.68 4.77 -0.19 -4.96 117.00 119.80 3dn4 n LEU 33 Ca 0.17 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.41 3dn4 n LEU 33 Cb 0.38 -0.99 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 3dn4 n LEU 33 CO 0.65 0.48 0.81 0.28 -1.33 0.00 0.00 177.39 178.28 3dn4 s THR 34 N -2.43 0.00 -1.81 -5.08 -1.32 -1.21 -4.89 115.64 98.90 3dn4 s THR 34 Ca -0.28 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.46 3dn4 s THR 34 Cb 0.07 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.29 3dn4 s THR 34 CO 0.63 0.00 1.50 0.29 -2.21 0.00 0.00 174.62 174.83 3dn4 n LYS 35 N 0.28 0.91 -2.20 7.08 5.02 -1.26 -3.44 118.16 124.56 3dn4 n LYS 35 Ca -0.07 -0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 55.23 3dn4 n LYS 35 Cb 0.59 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 3dn4 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dn4 s SER 36 N -2.49 6.89 0.00 4.39 0.15 -1.26 -4.93 113.70 116.45 3dn4 s SER 36 Ca 0.24 2.58 0.23 0.00 0.70 0.00 0.00 55.95 59.70 3dn4 s SER 36 Cb 0.19 -2.64 1.34 0.00 -1.71 0.00 0.00 66.02 63.20 3dn4 s SER 36 CO 0.52 -0.44 1.75 -0.81 1.20 0.00 0.00 173.24 175.46 3dn4 n PRO 37 N 0.96 0.66 -2.84 5.44 -0.04 -1.26 -4.71 135.00 133.21 3dn4 n PRO 37 Ca -0.00 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 3dn4 n PRO 37 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 3dn4 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dn4 s SER 38 N -2.09 6.76 0.27 3.54 0.15 -1.26 -4.94 113.70 116.14 3dn4 s SER 38 Ca 0.33 0.81 -0.04 0.00 0.70 0.00 0.00 55.95 57.75 3dn4 s SER 38 Cb 0.16 -2.45 0.36 0.00 -1.71 0.00 0.00 66.02 62.37 3dn4 s SER 38 CO 0.28 -0.70 1.94 0.25 1.20 0.00 0.00 173.24 176.21 3dn4 h LEU 39 N 9.65 1.06 -0.95 3.45 5.85 -2.00 -2.31 115.31 130.05 3dn4 h LEU 39 Ca -0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3dn4 h LEU 39 Cb 1.08 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3dn4 h LEU 39 CO 0.93 0.76 0.60 0.78 -0.34 0.00 0.00 178.44 181.17 3dn4 h ASN 40 N 1.24 1.12 -0.81 1.25 2.35 -1.98 0.19 115.58 118.94 3dn4 h ASN 40 Ca 0.35 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3dn4 h ASN 40 Cb -0.11 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 37.94 3dn4 h ASN 40 CO -0.08 0.84 0.50 0.00 -1.65 0.00 0.00 177.43 177.03 3dn4 h ALA 41 N 1.33 1.03 -0.48 -0.83 0.00 -1.84 -1.11 119.26 117.35 3dn4 h ALA 41 Ca 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3dn4 h ALA 41 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3dn4 h ALA 41 CO -0.07 0.48 0.10 0.00 0.00 0.00 0.00 179.25 179.76 3dn4 h ALA 42 N 1.27 0.64 -0.71 0.00 0.00 -0.89 -1.82 119.26 117.76 3dn4 h ALA 42 Ca 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3dn4 h ALA 42 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3dn4 h ALA 42 CO -0.06 0.35 0.31 0.87 0.00 0.00 0.00 179.25 180.72 3dn4 h LYS 43 N 0.66 1.03 -0.08 0.00 1.57 -0.70 -0.51 116.57 118.54 3dn4 h LYS 43 Ca 0.15 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dn4 h LYS 43 Cb 0.36 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3dn4 h LYS 43 CO 0.00 0.81 0.04 0.77 -0.57 0.00 0.00 179.45 180.51 3dn4 h SER 44 N 1.01 0.10 -0.89 0.86 0.02 -1.03 -0.99 113.55 112.64 3dn4 h SER 44 Ca 0.24 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3dn4 h SER 44 Cb 0.14 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.59 3dn4 h SER 44 CO -0.03 0.20 0.55 -0.33 -1.14 0.00 0.00 176.83 176.08 3dn4 h GLU 45 N 0.01 0.96 0.27 3.45 4.39 -1.04 -1.32 114.58 121.29 3dn4 h GLU 45 Ca 0.03 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3dn4 h GLU 45 Cb 0.12 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3dn4 h GLU 45 CO -0.00 0.63 -0.13 1.25 -1.16 0.00 0.00 179.01 179.60 3dn4 h LEU 46 N 0.98 -0.30 -0.70 1.33 5.85 -0.83 -1.01 115.31 120.62 3dn4 h LEU 46 Ca 0.40 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.21 3dn4 h LEU 46 Cb 0.22 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3dn4 h LEU 46 CO -0.19 -0.18 0.31 0.44 -0.34 0.00 0.00 178.44 178.48 3dn4 h ASP 47 N -0.40 0.36 -0.71 1.25 3.32 -0.93 -1.01 116.42 118.30 3dn4 h ASP 47 Ca -0.04 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3dn4 h ASP 47 Cb 0.30 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3dn4 h ASP 47 CO 0.06 0.19 0.42 0.50 -1.72 0.00 0.00 179.24 178.68 3dn4 h LYS 48 N 0.51 0.97 -0.49 3.56 3.64 -1.07 0.26 116.57 123.95 3dn4 h LYS 48 Ca 0.36 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3dn4 h LYS 48 Cb 0.45 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3dn4 h LYS 48 CO -0.32 0.70 -0.04 0.00 -2.27 0.00 0.00 179.45 177.51 3dn4 h ALA 49 N 1.21 0.67 0.02 5.00 0.00 -0.39 -3.30 119.26 122.48 3dn4 h ALA 49 Ca 0.25 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 3dn4 h ALA 49 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3dn4 h ALA 49 CO -0.05 0.51 -1.59 0.82 0.00 0.00 0.00 179.25 178.95 3dn4 h ILE 50 N 0.75 1.01 0.00 0.00 1.08 -1.10 -3.49 117.51 115.76 3dn4 h ILE 50 Ca 0.13 -2.81 0.00 0.00 -0.39 0.00 0.00 64.86 61.80 3dn4 h ILE 50 Cb 0.58 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 3dn4 h ILE 50 CO 0.03 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 178.74 3dn4 n GLY 51 N 1.57 0.91 3.52 5.37 0.00 0.91 -5.07 105.19 112.39 3dn4 n GLY 51 Ca -0.15 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3dn4 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dn4 s ARG 52 N -1.51 1.38 -0.68 1.61 1.70 -1.11 -5.05 118.95 115.30 3dn4 s ARG 52 Ca 0.00 -0.73 -0.27 0.00 -0.47 0.00 0.00 55.73 54.26 3dn4 s ARG 52 Cb 0.00 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 3dn4 s ARG 52 CO 0.00 -0.60 1.43 1.21 -1.08 0.00 0.00 175.30 176.26 3dn4 s ASN 53 N -2.83 5.96 -0.02 -2.89 3.84 -1.26 -4.33 114.94 113.42 3dn4 s ASN 53 Ca 0.06 -0.14 0.16 0.00 0.21 0.00 0.00 52.86 53.15 3dn4 s ASN 53 Cb -0.02 -2.55 -0.19 0.00 -0.55 0.00 0.00 41.25 37.94 3dn4 s ASN 53 CO -0.06 -1.93 0.63 0.35 -2.79 0.00 0.00 177.10 173.30 3dn4 n THR 54 N 6.65 1.25 -4.06 -5.21 -2.24 -1.26 -5.00 114.28 104.42 3dn4 n THR 54 Ca 0.09 -0.73 -0.28 0.00 -2.27 0.00 0.00 64.05 60.85 3dn4 n THR 54 Cb 0.50 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 3dn4 n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dn4 n ASN 55 N -2.86 -0.30 0.00 3.42 5.15 -1.26 -3.18 115.26 116.22 3dn4 n ASN 55 Ca -0.15 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 3dn4 n ASN 55 Cb 0.93 -2.56 0.00 0.00 -0.53 0.00 0.00 39.78 37.62 3dn4 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dn4 n GLY 56 N -2.16 0.81 3.04 8.20 0.00 -1.26 -5.01 105.19 108.81 3dn4 n GLY 56 Ca -0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3dn4 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dn4 s VAL 57 N -3.22 1.06 0.24 1.61 1.01 -1.19 -1.98 120.40 117.92 3dn4 s VAL 57 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3dn4 s VAL 57 Cb 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 3dn4 s VAL 57 CO 0.00 0.32 -0.02 0.27 0.00 0.00 0.00 175.10 175.67 3dn4 s ILE 58 N 0.30 1.22 0.63 2.22 -4.36 -0.35 -4.79 121.20 116.06 3dn4 s ILE 58 Ca -0.07 -2.06 -0.07 0.00 -0.26 0.00 0.00 60.65 58.19 3dn4 s ILE 58 Cb -0.12 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.26 3dn4 s ILE 58 CO 0.02 -0.34 0.95 0.42 0.24 0.00 0.00 174.94 176.23 3dn4 s THR 59 N -3.30 3.50 0.22 8.37 -4.23 -1.26 -4.76 115.64 114.18 3dn4 s THR 59 Ca 0.28 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.79 3dn4 s THR 59 Cb 0.05 -3.42 0.17 0.00 1.34 0.00 0.00 72.50 70.64 3dn4 s THR 59 CO 0.09 -0.46 1.86 0.50 -0.54 0.00 0.00 174.62 176.07 3dn4 h LYS 60 N -0.32 0.91 -0.44 3.99 3.64 -1.99 -0.28 116.57 122.08 3dn4 h LYS 60 Ca -0.45 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3dn4 h LYS 60 Cb 1.26 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 3dn4 h LYS 60 CO 0.61 0.60 0.26 -0.44 -2.27 0.00 0.00 179.45 178.21 3dn4 h ASP 61 N 0.93 0.42 -0.55 4.20 5.19 -1.99 -0.03 116.42 124.60 3dn4 h ASP 61 Ca 0.32 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.69 3dn4 h ASP 61 Cb 0.05 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3dn4 h ASP 61 CO -0.12 0.30 0.20 -0.33 -3.12 0.00 0.00 179.24 176.17 3dn4 h GLU 62 N 0.53 0.83 -0.56 3.56 5.08 -1.87 -0.50 114.58 121.65 3dn4 h GLU 62 Ca 0.17 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3dn4 h GLU 62 Cb 0.01 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 3dn4 h GLU 62 CO -0.08 0.74 0.28 0.00 -1.00 0.00 0.00 179.01 178.95 3dn4 h ALA 63 N 1.05 0.72 -0.27 3.43 0.00 -0.68 -2.16 119.26 121.35 3dn4 h ALA 63 Ca 0.18 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3dn4 h ALA 63 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dn4 h ALA 63 CO -0.01 -0.07 -0.20 0.93 0.00 0.00 0.00 179.25 179.90 3dn4 h GLU 64 N 0.53 0.48 0.41 0.00 5.08 -0.72 -1.59 114.58 118.77 3dn4 h GLU 64 Ca 0.25 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3dn4 h GLU 64 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dn4 h GLU 64 CO -0.18 0.66 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.07 3dn4 h LYS 65 N 0.43 -0.52 -0.78 2.33 3.64 -0.68 -1.19 116.57 119.80 3dn4 h LYS 65 Ca 0.07 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3dn4 h LYS 65 Cb 0.59 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 3dn4 h LYS 65 CO 0.04 -0.32 0.44 -0.07 -2.27 0.00 0.00 179.45 177.27 3dn4 h LEU 66 N -0.60 0.63 -0.02 5.20 3.38 -1.33 -2.11 115.31 120.45 3dn4 h LEU 66 Ca -0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dn4 h LEU 66 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3dn4 h LEU 66 CO 0.09 0.37 -0.05 0.15 0.09 0.00 0.00 178.44 179.09 3dn4 h PHE 67 N 0.76 -0.13 -0.74 1.13 3.57 -1.08 0.90 116.94 121.35 3dn4 h PHE 67 Ca 0.37 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.97 3dn4 h PHE 67 Cb 0.31 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 3dn4 h PHE 67 CO -0.07 -0.08 0.38 -0.91 -2.23 0.00 0.00 178.31 175.40 3dn4 h ASN 68 N -0.08 0.51 -0.64 0.41 2.35 -0.92 -0.25 115.58 116.97 3dn4 h ASN 68 Ca 0.03 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3dn4 h ASN 68 Cb 0.12 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3dn4 h ASN 68 CO -0.07 0.29 0.22 1.56 -1.65 0.00 0.00 177.43 177.78 3dn4 h GLN 69 N 0.65 0.97 -0.38 0.81 4.20 -0.76 -1.62 115.11 118.98 3dn4 h GLN 69 Ca 0.36 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3dn4 h GLN 69 Cb 0.37 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3dn4 h GLN 69 CO -0.26 0.84 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.20 3dn4 h ASP 70 N 0.91 0.74 -0.18 1.46 3.32 -0.13 -0.27 116.42 122.26 3dn4 h ASP 70 Ca 0.21 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 3dn4 h ASP 70 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3dn4 h ASP 70 CO -0.01 0.93 0.11 0.58 -1.72 0.00 0.00 179.24 179.13 3dn4 h VAL 71 N 0.54 1.08 -0.24 -1.35 2.07 -1.01 -0.93 116.25 116.41 3dn4 h VAL 71 Ca 0.10 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3dn4 h VAL 71 Cb 0.61 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3dn4 h VAL 71 CO 0.04 0.07 -0.12 0.44 0.02 0.00 0.00 177.57 178.03 3dn4 h ASP 72 N 0.22 -0.39 -0.84 0.57 5.19 -1.15 -1.53 116.42 118.50 3dn4 h ASP 72 Ca 0.07 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3dn4 h ASP 72 Cb 0.02 0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 3dn4 h ASP 72 CO -0.01 -0.15 0.54 0.00 -3.12 0.00 0.00 179.24 176.50 3dn4 h ALA 73 N 1.11 1.06 0.04 3.45 0.00 -0.89 -0.11 119.26 123.93 3dn4 h ALA 73 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dn4 h ALA 73 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dn4 h ALA 73 CO -0.29 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 3dn4 h ALA 74 N 1.29 -0.08 -0.02 0.00 0.00 -0.78 0.54 119.26 120.21 3dn4 h ALA 74 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3dn4 h ALA 74 Cb -0.10 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dn4 h ALA 74 CO -0.06 -0.56 0.01 0.28 0.00 0.00 0.00 179.25 178.92 3dn4 h VAL 75 N -0.10 1.00 -0.49 0.00 2.07 -1.02 -1.74 116.25 115.96 3dn4 h VAL 75 Ca 0.00 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dn4 h VAL 75 Cb 0.10 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3dn4 h VAL 75 CO -0.02 0.00 0.21 0.03 0.02 0.00 0.00 177.57 177.82 3dn4 h ARG 76 N 0.03 0.70 -0.54 1.57 2.47 -0.91 -1.91 114.38 115.79 3dn4 h ARG 76 Ca 0.01 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3dn4 h ARG 76 Cb 0.00 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 3dn4 h ARG 76 CO -0.01 0.56 0.27 0.78 0.56 0.00 0.00 179.97 182.14 3dn4 h GLY 77 N 0.82 0.82 0.58 0.04 0.00 -0.63 -1.87 103.07 102.83 3dn4 h GLY 77 Ca 0.17 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.16 3dn4 h GLY 77 CO -0.02 0.37 -0.00 -2.22 0.00 0.00 0.00 176.54 174.67 3dn4 h ILE 78 N 0.72 0.80 0.00 2.60 2.04 -0.65 -2.32 117.51 120.71 3dn4 h ILE 78 Ca 0.19 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 3dn4 h ILE 78 Cb 0.09 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3dn4 h ILE 78 CO -0.03 0.01 -0.21 -0.07 0.00 0.00 0.00 178.15 177.86 3dn4 h LEU 79 N 0.07 0.00 -0.26 1.44 3.38 -1.13 -2.17 115.31 116.64 3dn4 h LEU 79 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dn4 h LEU 79 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dn4 h LEU 79 CO -0.22 0.21 -0.27 0.54 0.09 0.00 0.00 178.44 178.80 3dn4 n ARG 80 N -3.65 0.52 -3.37 1.13 1.74 -0.72 -4.78 116.66 107.52 3dn4 n ARG 80 Ca -0.01 -0.26 -0.40 0.00 -0.77 0.00 0.00 57.85 56.41 3dn4 n ARG 80 Cb 0.34 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 3dn4 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dn4 s ASN 81 N -2.66 6.24 0.48 0.55 3.84 -0.83 -4.97 114.94 117.60 3dn4 s ASN 81 Ca 0.21 0.12 0.21 0.00 0.21 0.00 0.00 52.86 53.61 3dn4 s ASN 81 Cb 0.19 -2.21 1.23 0.00 -0.55 0.00 0.00 41.25 39.90 3dn4 s ASN 81 CO 0.56 -0.26 2.02 0.00 -2.79 0.00 0.00 177.10 176.63 3dn4 h ALA 82 N 8.28 1.43 0.16 1.71 0.00 -1.86 -0.01 119.26 128.98 3dn4 h ALA 82 Ca -0.31 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 3dn4 h ALA 82 Cb 1.15 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.94 3dn4 h ALA 82 CO 0.67 0.21 -1.06 0.87 0.00 0.00 0.00 179.25 179.94 3dn4 h LYS 83 N 0.00 0.43 0.18 0.00 1.57 -1.93 -3.40 116.57 113.43 3dn4 h LYS 83 Ca -0.00 -0.68 -0.32 0.00 -1.87 0.00 0.00 60.65 57.78 3dn4 h LYS 83 Cb 0.36 0.25 0.03 0.00 0.08 0.00 0.00 32.23 32.95 3dn4 h LYS 83 CO 0.02 1.31 -1.35 -0.07 -0.57 0.00 0.00 179.45 178.79 3dn4 h LEU 84 N -0.10 0.86 -0.44 2.94 3.38 -1.71 -3.38 115.31 116.87 3dn4 h LEU 84 Ca -0.18 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.03 3dn4 h LEU 84 Cb 1.81 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 3dn4 h LEU 84 CO 0.20 1.65 -0.13 0.50 0.09 0.00 0.00 178.44 180.76 3dn4 h LYS 85 N 0.22 -0.02 -0.57 1.13 3.64 -0.88 -0.99 116.57 119.11 3dn4 h LYS 85 Ca -0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 3dn4 h LYS 85 Cb 2.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.83 3dn4 h LYS 85 CO 0.26 -0.01 0.21 -1.35 -2.27 0.00 0.00 179.45 176.29 3dn4 h PRO 86 N -0.02 0.83 -0.27 1.90 0.11 -1.77 0.30 132.00 133.08 3dn4 h PRO 86 Ca 0.21 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3dn4 h PRO 86 Cb 0.34 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3dn4 h PRO 86 CO -0.47 0.69 -0.03 0.28 -0.21 0.00 0.00 178.00 178.26 3dn4 h VAL 87 N 0.82 1.27 -0.15 3.15 2.07 -1.57 -2.17 116.25 119.67 3dn4 h VAL 87 Ca 0.19 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3dn4 h VAL 87 Cb 0.18 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3dn4 h VAL 87 CO -0.02 0.32 0.00 0.22 0.02 0.00 0.00 177.57 178.12 3dn4 h TYR 88 N 0.27 -0.00 -0.41 1.57 3.20 -0.83 -2.38 116.97 118.39 3dn4 h TYR 88 Ca 0.07 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3dn4 h TYR 88 Cb 0.48 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3dn4 h TYR 88 CO 0.04 -0.02 0.28 -0.44 -1.64 0.00 0.00 178.16 176.38 3dn4 h ASP 89 N 0.05 0.37 1.04 -2.11 3.32 -0.90 -2.09 116.42 116.10 3dn4 h ASP 89 Ca 0.07 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3dn4 h ASP 89 Cb 0.08 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dn4 h ASP 89 CO -0.12 0.25 -0.03 0.77 -1.72 0.00 0.00 179.24 178.40 3dn4 h SER 90 N 0.42 0.00 -3.63 6.45 4.64 -0.85 -3.45 113.55 117.13 3dn4 h SER 90 Ca 0.17 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.99 3dn4 h SER 90 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3dn4 h SER 90 CO -0.04 0.03 0.07 -0.76 -0.87 0.00 0.00 176.83 175.25 3dn4 s LEU 91 N -6.26 3.92 0.94 5.97 1.43 -0.79 -5.06 118.68 118.83 3dn4 s LEU 91 Ca 0.01 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 3dn4 s LEU 91 Cb 0.09 -3.95 0.15 0.00 0.03 0.00 0.00 46.19 42.52 3dn4 s LEU 91 CO 0.56 -0.32 1.10 1.51 0.23 0.00 0.00 176.35 179.43 3dn4 s ASP 92 N -2.94 3.15 0.31 2.29 -4.77 -1.26 -4.82 116.67 108.63 3dn4 s ASP 92 Ca 0.51 1.26 0.01 0.00 -3.30 0.00 0.00 52.55 51.02 3dn4 s ASP 92 Cb -0.10 -1.92 0.51 0.00 -1.09 0.00 0.00 42.92 40.32 3dn4 s ASP 92 CO 0.28 -2.81 1.89 0.00 0.70 0.00 0.00 175.17 175.23 3dn4 h ALA 93 N -1.67 1.35 0.07 2.11 0.00 -1.98 -0.83 119.26 118.30 3dn4 h ALA 93 Ca -0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3dn4 h ALA 93 Cb 1.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dn4 h ALA 93 CO 0.57 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 180.56 3dn4 h VAL 94 N 0.76 1.08 -0.14 0.00 2.07 -1.94 -2.44 116.25 115.65 3dn4 h VAL 94 Ca 0.18 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3dn4 h VAL 94 Cb 0.18 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3dn4 h VAL 94 CO -0.01 0.12 -0.22 0.03 0.02 0.00 0.00 177.57 177.50 3dn4 h ARG 95 N -0.31 0.24 -0.98 1.57 3.08 -1.79 -2.13 114.38 114.06 3dn4 h ARG 95 Ca -0.01 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.04 3dn4 h ARG 95 Cb 0.27 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 3dn4 h ARG 95 CO 0.01 0.45 0.63 0.00 -1.07 0.00 0.00 179.97 179.99 3dn4 h ARG 96 N 0.22 1.09 -0.68 0.04 3.08 -1.04 -1.24 114.38 115.85 3dn4 h ARG 96 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3dn4 h ARG 96 Cb 0.52 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3dn4 h ARG 96 CO 0.04 0.72 0.39 0.00 -1.07 0.00 0.00 179.97 180.05 3dn4 h ALA 97 N 1.45 0.87 -0.95 0.04 0.00 -0.89 -0.99 119.26 118.79 3dn4 h ALA 97 Ca 0.43 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3dn4 h ALA 97 Cb 0.20 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3dn4 h ALA 97 CO -0.18 0.36 0.63 0.00 0.00 0.00 0.00 179.25 180.05 3dn4 h ALA 98 N 1.20 1.38 -0.26 0.00 0.00 -1.17 0.93 119.26 121.34 3dn4 h ALA 98 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dn4 h ALA 98 Cb -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3dn4 h ALA 98 CO -0.04 0.53 0.11 0.00 0.00 0.00 0.00 179.25 179.85 3dn4 h ALA 99 N 1.44 0.33 -0.81 0.00 0.00 -0.78 -2.34 119.26 117.10 3dn4 h ALA 99 Ca 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3dn4 h ALA 99 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3dn4 h ALA 99 CO -0.11 -0.09 0.41 0.82 0.00 0.00 0.00 179.25 180.28 3dn4 h ILE 100 N 0.28 1.25 -0.15 0.00 2.04 -0.66 -2.32 117.51 117.95 3dn4 h ILE 100 Ca 0.09 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.32 3dn4 h ILE 100 Cb 0.15 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 3dn4 h ILE 100 CO -0.01 0.29 -0.18 -1.13 0.00 0.00 0.00 178.15 177.13 3dn4 h ASN 101 N 1.14 -0.55 -0.26 1.72 -0.73 -0.63 0.69 115.58 116.96 3dn4 h ASN 101 Ca 0.28 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.56 3dn4 h ASN 101 Cb 0.09 0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 3dn4 h ASN 101 CO -0.04 -0.22 0.17 0.24 -0.37 0.00 0.00 177.43 177.21 3dn4 h MET 102 N -0.21 0.34 -0.58 6.67 2.86 -1.22 -2.01 114.93 120.77 3dn4 h MET 102 Ca 0.10 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3dn4 h MET 102 Cb 0.36 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3dn4 h MET 102 CO -0.27 0.22 0.39 0.28 1.06 0.00 0.00 176.91 178.59 3dn4 h VAL 103 N 0.35 1.14 -0.48 -2.22 2.07 -1.18 0.10 116.25 116.04 3dn4 h VAL 103 Ca 0.10 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.44 3dn4 h VAL 103 Cb -0.03 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 29.94 3dn4 h VAL 103 CO -0.03 0.14 -0.02 0.15 0.02 0.00 0.00 177.57 177.83 3dn4 h PHE 104 N 0.79 -0.08 -0.06 1.57 3.04 -0.66 0.43 116.94 121.97 3dn4 h PHE 104 Ca 0.22 0.04 -0.23 0.00 3.98 0.00 0.00 57.97 61.97 3dn4 h PHE 104 Cb -0.08 0.11 0.02 0.00 2.56 0.00 0.00 35.95 38.55 3dn4 h PHE 104 CO -0.04 -0.13 -0.87 0.37 -2.02 0.00 0.00 178.31 175.63 3dn4 h GLN 105 N 0.09 0.70 0.00 1.11 4.15 -0.82 -3.39 115.11 116.96 3dn4 h GLN 105 Ca 0.24 -0.67 -0.15 0.00 0.77 0.00 0.00 58.65 58.84 3dn4 h GLN 105 Cb 0.36 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 3dn4 h GLN 105 CO -0.42 1.26 -1.92 -1.33 -1.93 0.00 0.00 178.83 174.49 3dn4 n MET 106 N -3.95 1.02 -0.39 1.69 2.81 0.31 -5.10 117.12 113.51 3dn4 n MET 106 Ca -0.09 -0.08 0.05 0.00 -1.81 0.00 0.00 57.70 55.77 3dn4 n MET 106 Cb 0.79 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.89 3dn4 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dn4 n GLY 107 N 1.82 -2.43 0.32 3.03 0.00 0.15 -2.81 105.19 105.27 3dn4 n GLY 107 Ca -0.15 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.55 3dn4 n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dn4 h GLU 108 N -0.38 0.57 -0.17 1.61 5.08 -1.94 -1.72 114.58 117.63 3dn4 h GLU 108 Ca -0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3dn4 h GLU 108 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3dn4 h GLU 108 CO 0.02 0.38 -0.16 1.79 -1.00 0.00 0.00 179.01 180.03 3dn4 h THR 109 N 0.59 1.20 -0.43 1.13 1.35 -1.97 -1.52 112.91 113.26 3dn4 h THR 109 Ca 0.19 -0.92 -0.11 0.00 -0.55 0.00 0.00 66.41 65.02 3dn4 h THR 109 Cb 0.04 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 3dn4 h THR 109 CO -0.05 0.29 -0.18 1.23 -0.25 0.00 0.00 175.52 176.56 3dn4 h GLY 110 N 0.84 0.90 2.00 5.82 0.00 -1.16 -3.09 103.07 108.38 3dn4 h GLY 110 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3dn4 h GLY 110 CO 0.03 0.68 0.00 -2.08 0.00 0.00 0.00 176.54 175.16 3dn4 h VAL 111 N 0.73 0.00 -0.98 4.60 2.07 -1.00 -3.32 116.25 118.35 3dn4 h VAL 111 Ca 0.11 -0.66 0.19 0.00 0.82 0.00 0.00 66.70 67.16 3dn4 h VAL 111 Cb 0.69 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 32.00 3dn4 h VAL 111 CO 0.05 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.26 3dn4 h ALA 112 N 2.19 1.82 0.00 1.67 0.00 -1.21 0.63 119.26 124.36 3dn4 h ALA 112 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dn4 h ALA 112 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dn4 h ALA 112 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.50 3dn4 n GLY 113 N -1.38 -0.95 1.84 0.00 0.00 -1.25 -3.82 105.19 99.62 3dn4 n GLY 113 Ca 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 3dn4 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dn4 n PHE 114 N -1.13 2.12 -0.21 1.61 3.01 0.21 -4.64 117.46 118.43 3dn4 n PHE 114 Ca 0.16 -1.00 0.02 0.00 1.01 0.00 0.00 57.45 57.64 3dn4 n PHE 114 Cb 0.14 -0.60 0.11 0.00 -0.01 0.00 0.00 39.48 39.12 3dn4 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3dn4 h THR 115 N 2.55 0.50 -0.32 4.37 2.02 -1.74 0.01 112.91 120.30 3dn4 h THR 115 Ca 0.20 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.17 3dn4 h THR 115 Cb 2.09 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3dn4 h THR 115 CO 0.62 0.03 -0.41 0.78 0.37 0.00 0.00 175.52 176.90 3dn4 h ASN 116 N 0.15 0.84 -0.37 4.18 2.35 -1.94 -1.34 115.58 119.43 3dn4 h ASN 116 Ca 0.34 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3dn4 h ASN 116 Cb 0.55 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3dn4 h ASN 116 CO -0.52 1.14 0.25 0.28 -1.65 0.00 0.00 177.43 176.93 3dn4 h SER 117 N 0.63 0.43 -0.75 5.81 0.02 -1.77 -2.30 113.55 115.63 3dn4 h SER 117 Ca 0.05 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3dn4 h SER 117 Cb 0.97 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 3dn4 h SER 117 CO 0.09 0.31 0.42 -0.07 -1.14 0.00 0.00 176.83 176.44 3dn4 h LEU 118 N 0.51 0.94 -0.24 5.07 4.07 -0.74 -0.02 115.31 124.90 3dn4 h LEU 118 Ca 0.14 -0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.02 3dn4 h LEU 118 Cb -0.06 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.42 3dn4 h LEU 118 CO -0.03 0.76 0.09 -0.09 -1.08 0.00 0.00 178.44 178.10 3dn4 h ARG 119 N 1.04 0.21 -0.55 1.13 2.43 -1.16 -1.24 114.38 116.24 3dn4 h ARG 119 Ca 0.27 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3dn4 h ARG 119 Cb 0.03 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3dn4 h ARG 119 CO -0.04 0.14 0.14 0.52 -1.51 0.00 0.00 179.97 179.22 3dn4 h MET 120 N 0.21 0.85 -0.48 0.20 2.86 -0.82 -1.53 114.93 116.22 3dn4 h MET 120 Ca 0.10 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3dn4 h MET 120 Cb 0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3dn4 h MET 120 CO -0.09 0.75 0.26 -0.07 1.06 0.00 0.00 176.91 178.82 3dn4 h LEU 121 N 0.82 0.61 -1.24 1.22 3.38 -0.76 -1.21 115.31 118.12 3dn4 h LEU 121 Ca 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3dn4 h LEU 121 Cb 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3dn4 h LEU 121 CO -0.00 0.53 0.02 -0.61 0.09 0.00 0.00 178.44 178.47 3dn4 h GLN 122 N 0.63 0.54 0.00 1.13 4.15 -0.85 -1.92 115.11 118.80 3dn4 h GLN 122 Ca 0.17 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3dn4 h GLN 122 Cb 0.07 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3dn4 h GLN 122 CO -0.03 0.55 0.00 1.04 -1.93 0.00 0.00 178.83 178.46 3dn4 n GLN 123 N -4.29 0.09 -2.89 1.69 6.02 -0.61 -4.92 117.38 112.47 3dn4 n GLN 123 Ca 0.02 0.19 -0.19 0.00 -0.01 0.00 0.00 57.00 57.01 3dn4 n GLN 123 Cb 0.24 -1.63 0.03 0.00 1.02 0.00 0.00 30.24 29.90 3dn4 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dn4 n LYS 124 N -1.78 -4.12 -2.87 -1.09 5.02 -0.65 -4.94 118.16 107.74 3dn4 n LYS 124 Ca 0.05 0.78 -0.44 0.00 -2.02 0.00 0.00 58.31 56.68 3dn4 n LYS 124 Cb 0.29 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 3dn4 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dn4 n ARG 125 N -3.51 3.55 -0.14 1.97 1.74 -0.55 -4.88 116.66 114.85 3dn4 n ARG 125 Ca -0.10 -3.94 -0.09 0.00 -0.77 0.00 0.00 57.85 52.96 3dn4 n ARG 125 Cb 0.60 -2.89 -0.00 0.00 -1.02 0.00 0.00 32.46 29.15 3dn4 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dn4 h TRP 126 N 6.57 0.60 -0.40 -1.55 -0.00 -1.89 0.18 115.95 119.47 3dn4 h TRP 126 Ca 0.30 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 59.11 3dn4 h TRP 126 Cb 0.79 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.75 3dn4 h TRP 126 CO 1.07 0.50 0.05 -0.44 -0.00 0.00 0.00 178.44 179.63 3dn4 h ASP 127 N 0.52 0.65 -0.42 -3.49 5.19 -1.89 -0.74 116.42 116.23 3dn4 h ASP 127 Ca 0.14 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 3dn4 h ASP 127 Cb 0.14 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 3dn4 h ASP 127 CO -0.02 0.76 0.15 -0.33 -3.12 0.00 0.00 179.24 176.68 3dn4 h GLU 128 N 0.52 0.64 -0.53 3.56 5.08 -1.90 -1.36 114.58 120.59 3dn4 h GLU 128 Ca 0.12 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3dn4 h GLU 128 Cb 0.39 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3dn4 h GLU 128 CO 0.01 0.61 0.23 0.00 -1.00 0.00 0.00 179.01 178.86 3dn4 h ALA 129 N 1.00 0.67 -0.53 3.43 0.00 -0.57 -0.96 119.26 122.30 3dn4 h ALA 129 Ca 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dn4 h ALA 129 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3dn4 h ALA 129 CO -0.01 -0.15 0.30 0.00 0.00 0.00 0.00 179.25 179.40 3dn4 h ALA 130 N 1.32 0.68 -0.25 0.00 0.00 -0.76 0.97 119.26 121.22 3dn4 h ALA 130 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dn4 h ALA 130 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dn4 h ALA 130 CO -0.21 0.18 0.16 0.28 0.00 0.00 0.00 179.25 179.66 3dn4 h VAL 131 N 0.71 1.05 -0.73 0.00 2.07 -1.05 -2.92 116.25 115.39 3dn4 h VAL 131 Ca 0.19 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 3dn4 h VAL 131 Cb 0.02 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3dn4 h VAL 131 CO -0.03 0.06 0.30 -1.13 0.02 0.00 0.00 177.57 176.79 3dn4 h ASN 132 N 0.33 0.99 -0.51 0.57 -0.73 -0.70 -2.91 115.58 112.61 3dn4 h ASN 132 Ca 0.09 -0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.11 3dn4 h ASN 132 Cb -0.03 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 3dn4 h ASN 132 CO -0.03 0.88 0.34 -0.07 -0.37 0.00 0.00 177.43 178.19 3dn4 h LEU 133 N 1.04 0.56 -0.53 0.34 3.38 -0.72 -2.12 115.31 117.25 3dn4 h LEU 133 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3dn4 h LEU 133 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dn4 h LEU 133 CO -0.02 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3dn4 h ALA 134 N 1.69 1.00 -0.46 1.53 0.00 -1.32 -3.36 119.26 118.33 3dn4 h ALA 134 Ca 0.20 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.38 3dn4 h ALA 134 Cb -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3dn4 h ALA 134 CO -0.05 0.00 2.68 1.63 0.00 0.00 0.00 179.25 183.52 3dn4 n LYS 135 N -2.46 3.55 -3.63 0.00 5.02 -0.80 -4.65 118.16 115.20 3dn4 n LYS 135 Ca 0.03 -3.05 -0.15 0.00 -2.02 0.00 0.00 58.31 53.12 3dn4 n LYS 135 Cb 0.33 -2.97 -0.07 0.00 -0.02 0.00 0.00 35.03 32.30 3dn4 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dn4 s SER 136 N 1.67 -0.41 0.23 4.39 1.04 -1.26 -5.02 113.70 114.34 3dn4 s SER 136 Ca 0.48 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 3dn4 s SER 136 Cb 0.14 0.44 0.38 0.00 0.10 0.00 0.00 66.02 67.08 3dn4 s SER 136 CO -0.05 -0.59 1.76 -0.09 0.98 0.00 0.00 173.24 175.25 3dn4 h ARG 137 N 3.22 0.54 -0.36 4.02 2.43 -1.93 -2.37 114.38 119.94 3dn4 h ARG 137 Ca -0.29 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 3dn4 h ARG 137 Cb 1.18 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.52 3dn4 h ARG 137 CO 0.40 0.36 -0.27 2.35 -1.51 0.00 0.00 179.97 181.31 3dn4 h TRP 138 N 0.56 -0.71 -0.11 2.20 7.01 -1.94 0.13 115.95 123.09 3dn4 h TRP 138 Ca 0.38 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.42 3dn4 h TRP 138 Cb 0.46 0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 3dn4 h TRP 138 CO -0.12 -0.34 0.06 -0.92 -2.79 0.00 0.00 178.44 174.33 3dn4 h TYR 139 N -0.22 0.14 -0.82 2.65 3.20 -1.77 -0.98 116.97 119.19 3dn4 h TYR 139 Ca 0.17 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3dn4 h TYR 139 Cb 0.49 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3dn4 h TYR 139 CO -0.47 0.15 0.50 -0.91 -1.64 0.00 0.00 178.16 175.79 3dn4 h ASN 140 N 0.10 0.97 0.42 -2.11 4.21 -0.85 -0.89 115.58 117.42 3dn4 h ASN 140 Ca 0.04 -0.05 -0.31 0.00 1.21 0.00 0.00 56.30 57.19 3dn4 h ASN 140 Cb 0.05 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 37.02 3dn4 h ASN 140 CO -0.01 0.74 -1.46 1.56 -1.29 0.00 0.00 177.43 176.97 3dn4 h GLN 141 N 1.12 0.35 -2.13 0.81 1.08 -0.69 -3.39 115.11 112.26 3dn4 h GLN 141 Ca 0.29 -0.60 -0.58 0.00 -1.45 0.00 0.00 58.65 56.31 3dn4 h GLN 141 Cb -0.06 0.22 -0.41 0.00 -0.05 0.00 0.00 27.48 27.19 3dn4 h GLN 141 CO -0.06 1.25 -0.80 0.25 -0.95 0.00 0.00 178.83 178.53 3dn4 n THR 142 N -3.56 1.11 -0.19 -0.54 -2.24 -0.38 -4.98 114.28 103.50 3dn4 n THR 142 Ca -0.15 -4.72 -0.09 0.00 -2.27 0.00 0.00 64.05 56.81 3dn4 n THR 142 Cb 1.06 -2.04 0.04 0.00 -2.10 0.00 0.00 70.33 67.28 3dn4 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3dn4 h PRO 143 N 4.13 1.02 -0.39 -0.78 0.13 -1.36 -0.83 132.00 133.92 3dn4 h PRO 143 Ca 0.15 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.88 3dn4 h PRO 143 Cb 0.75 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 3dn4 h PRO 143 CO 0.68 1.04 0.06 -0.91 -0.23 0.00 0.00 178.00 178.64 3dn4 h ASN 144 N 0.92 0.62 -0.24 1.44 2.35 -1.94 0.11 115.58 118.84 3dn4 h ASN 144 Ca 0.15 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3dn4 h ASN 144 Cb 0.62 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3dn4 h ASN 144 CO 0.04 0.73 0.02 -0.09 -1.65 0.00 0.00 177.43 176.48 3dn4 h ARG 145 N 0.49 0.41 -0.86 0.81 2.43 -1.95 -2.64 114.38 113.06 3dn4 h ARG 145 Ca 0.12 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3dn4 h ARG 145 Cb 0.38 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3dn4 h ARG 145 CO 0.01 0.56 0.56 0.00 -1.51 0.00 0.00 179.97 179.58 3dn4 h ALA 146 N 0.83 1.13 -0.73 2.80 0.00 -0.98 -1.41 119.26 120.91 3dn4 h ALA 146 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dn4 h ALA 146 Cb 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3dn4 h ALA 146 CO 0.01 0.41 0.48 0.87 0.00 0.00 0.00 179.25 181.01 3dn4 h LYS 147 N 1.09 0.95 -0.09 0.00 1.57 -0.73 0.32 116.57 119.67 3dn4 h LYS 147 Ca 0.34 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3dn4 h LYS 147 Cb -0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3dn4 h LYS 147 CO -0.11 0.63 0.06 0.00 -0.57 0.00 0.00 179.45 179.45 3dn4 h ARG 148 N 0.98 0.13 -0.49 3.15 3.08 -1.04 -0.60 114.38 119.59 3dn4 h ARG 148 Ca 0.27 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3dn4 h ARG 148 Cb -0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3dn4 h ARG 148 CO -0.06 0.14 0.23 0.28 -1.07 0.00 0.00 179.97 179.49 3dn4 h VAL 149 N 0.08 1.19 -0.48 2.04 2.07 -0.85 -1.64 116.25 118.66 3dn4 h VAL 149 Ca 0.03 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3dn4 h VAL 149 Cb 0.04 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3dn4 h VAL 149 CO -0.01 0.21 0.17 0.40 0.02 0.00 0.00 177.57 178.37 3dn4 h ILE 150 N 0.65 1.22 -0.92 4.57 2.04 -0.34 -1.45 117.51 123.28 3dn4 h ILE 150 Ca 0.17 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3dn4 h ILE 150 Cb 0.12 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3dn4 h ILE 150 CO -0.02 0.26 0.60 0.74 0.00 0.00 0.00 178.15 179.73 3dn4 h THR 151 N 0.64 1.14 -0.36 -0.27 2.02 -0.92 0.28 112.91 115.44 3dn4 h THR 151 Ca 0.16 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3dn4 h THR 151 Cb 0.23 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3dn4 h THR 151 CO -0.01 0.21 0.19 0.74 0.37 0.00 0.00 175.52 177.02 3dn4 h THR 152 N 1.14 1.15 -0.70 3.16 2.02 -0.75 -0.85 112.91 118.08 3dn4 h THR 152 Ca 0.37 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3dn4 h THR 152 Cb 0.04 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3dn4 h THR 152 CO -0.12 0.15 0.22 -0.26 0.37 0.00 0.00 175.52 175.89 3dn4 h PHE 153 N 0.45 1.11 -0.33 3.16 0.04 -0.65 -0.38 116.94 120.35 3dn4 h PHE 153 Ca 0.13 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 3dn4 h PHE 153 Cb 0.07 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 3dn4 h PHE 153 CO -0.02 0.88 -0.20 -0.09 -0.60 0.00 0.00 178.31 178.27 3dn4 h ARG 154 N 1.04 0.71 0.00 1.51 2.43 -0.14 -3.37 114.38 116.56 3dn4 h ARG 154 Ca 0.23 -0.33 -0.23 0.00 -0.81 0.00 0.00 59.98 58.84 3dn4 h ARG 154 Cb 0.29 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3dn4 h ARG 154 CO -0.01 0.94 -2.19 0.25 -1.51 0.00 0.00 179.97 177.45 3dn4 n THR 155 N -4.31 0.87 -1.88 0.20 -2.24 -0.35 -4.76 114.28 101.81 3dn4 n THR 155 Ca -0.03 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.92 3dn4 n THR 155 Cb 0.42 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 3dn4 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dn4 n GLY 156 N 1.65 0.51 3.55 3.38 0.00 -0.15 -5.02 105.19 109.10 3dn4 n GLY 156 Ca -0.22 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 3dn4 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dn4 s THR 157 N -2.60 1.79 -0.74 2.61 -4.23 -1.26 -4.84 115.64 106.36 3dn4 s THR 157 Ca 0.00 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.58 3dn4 s THR 157 Cb 0.00 -2.85 0.57 0.00 1.34 0.00 0.00 72.50 71.55 3dn4 s THR 157 CO 0.00 -0.05 1.39 0.79 -0.54 0.00 0.00 174.62 176.21 3dn4 n TRP 158 N -0.84 1.35 -0.24 3.99 7.02 -1.26 -4.52 117.44 122.94 3dn4 n TRP 158 Ca -0.04 -0.49 0.15 0.00 -1.02 0.00 0.00 57.50 56.10 3dn4 n TRP 158 Cb 0.66 -0.32 0.45 0.00 -2.42 0.00 0.00 31.31 29.68 3dn4 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3dn4 h ASP 159 N 2.90 0.52 0.75 -0.99 5.19 -1.96 0.67 116.42 123.49 3dn4 h ASP 159 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3dn4 h ASP 159 Cb 1.41 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3dn4 h ASP 159 CO 0.29 0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 3dn4 n ALA 160 N -2.48 1.80 0.00 3.45 0.00 -1.26 -3.64 120.51 118.39 3dn4 n ALA 160 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.63 3dn4 n ALA 160 Cb 0.57 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3dn4 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dn4 n TYR 161 N -1.88 0.00 -0.23 0.00 4.02 0.06 -4.76 117.16 114.37 3dn4 n TYR 161 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.04 3dn4 n TYR 161 Cb 0.24 -0.04 0.40 0.00 -0.02 0.00 0.00 39.34 39.92 3dn4 n TYR 161 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3dn4 h LYS 162 N 0.00 0.64 -0.01 -0.72 1.57 -1.17 -1.78 116.57 115.10 3dn4 h LYS 162 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dn4 h LYS 162 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dn4 h LYS 162 CO 0.00 0.42 -0.01 -1.71 -0.57 0.00 0.00 179.45 177.58 3dn4 n ASN 163 N -4.52 0.66 -0.17 0.86 5.15 -1.26 -5.13 115.26 110.84 3dn4 n ASN 163 Ca 0.15 -1.16 0.02 0.00 -0.60 0.00 0.00 54.58 52.99 3dn4 n ASN 163 Cb 0.42 -0.01 0.02 0.00 -0.53 0.00 0.00 39.78 39.68 3dn4 n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84