#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b7h s LYS 2 N 0.00 1.32 0.83 0.03 1.02 -1.26 -5.15 119.74 116.53 3b7h s LYS 2 Ca 0.00 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 3b7h s LYS 2 Cb 0.00 -1.19 0.09 0.00 -0.52 0.00 0.00 37.83 36.22 3b7h s LYS 2 CO 0.00 0.18 1.10 0.95 -0.92 0.00 0.00 175.35 176.66 3b7h s THR 3 N 0.10 2.80 0.16 2.17 -4.23 -1.26 -4.85 115.64 110.52 3b7h s THR 3 Ca -0.03 0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.61 3b7h s THR 3 Cb -0.10 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.82 3b7h s THR 3 CO 0.01 -0.34 1.71 0.44 -0.54 0.00 0.00 174.62 175.90 3b7h h ASP 4 N -1.23 0.74 -0.96 3.99 3.32 -1.97 -0.98 116.42 119.34 3b7h h ASP 4 Ca -0.48 -0.18 0.18 0.00 0.02 0.00 0.00 57.03 56.57 3b7h h ASP 4 Cb 1.28 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.54 3b7h h ASP 4 CO 0.59 0.72 0.56 1.23 -1.72 0.00 0.00 179.24 180.62 3b7h h GLY 5 N 0.72 1.67 0.82 2.75 0.00 -1.88 0.52 103.07 107.67 3b7h h GLY 5 Ca 0.18 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3b7h h GLY 5 CO -0.01 -0.05 -0.09 0.83 0.00 0.00 0.00 176.54 177.21 3b7h h GLU 6 N 0.73 0.44 -0.33 4.80 5.08 -1.73 -0.23 114.58 123.34 3b7h h GLU 6 Ca 0.54 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3b7h h GLU 6 Cb 0.82 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3b7h h GLU 6 CO -0.38 0.71 0.19 0.74 -1.00 0.00 0.00 179.01 179.28 3b7h h PHE 7 N 0.14 0.35 -0.18 4.33 0.04 -0.64 -1.17 116.94 119.81 3b7h h PHE 7 Ca 0.05 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3b7h h PHE 7 Cb 0.58 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3b7h h PHE 7 CO 0.06 0.20 -0.05 0.28 -0.60 0.00 0.00 178.31 178.21 3b7h h VAL 8 N 0.39 1.29 -0.26 -0.55 2.07 -0.91 -1.96 116.25 116.31 3b7h h VAL 8 Ca 0.13 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 3b7h h VAL 8 Cb 0.01 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3b7h h VAL 8 CO -0.07 0.31 -0.34 0.77 0.02 0.00 0.00 177.57 178.26 3b7h h SER 9 N 0.05 0.59 -0.55 0.57 4.64 -0.99 0.07 113.55 117.94 3b7h h SER 9 Ca 0.04 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 3b7h h SER 9 Cb 0.50 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3b7h h SER 9 CO 0.02 0.89 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.53 3b7h h GLU 10 N 0.48 1.01 -0.30 4.77 5.08 -1.18 -0.28 114.58 124.16 3b7h h GLU 10 Ca 0.05 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3b7h h GLU 10 Cb 0.82 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3b7h h GLU 10 CO 0.07 0.99 -0.01 1.25 -1.00 0.00 0.00 179.01 180.31 3b7h h HIS 11 N 0.92 0.59 -0.52 4.33 2.76 -0.99 -1.67 115.15 120.58 3b7h h HIS 11 Ca 0.16 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3b7h h HIS 11 Cb 0.55 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 3b7h h HIS 11 CO 0.04 0.69 0.26 1.25 -1.30 0.00 0.00 177.93 178.87 3b7h h LEU 12 N 0.33 0.38 -0.97 0.26 5.85 -0.84 -0.91 115.31 119.41 3b7h h LEU 12 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3b7h h LEU 12 Cb 0.46 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3b7h h LEU 12 CO 0.02 0.26 0.33 -0.03 -0.34 0.00 0.00 178.44 178.68 3b7h h MET 13 N 0.51 1.07 -0.38 1.25 4.05 -0.88 -0.00 114.93 120.55 3b7h h MET 13 Ca 0.23 -0.16 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3b7h h MET 13 Cb 0.13 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 3b7h h MET 13 CO -0.16 0.84 0.23 0.93 0.23 0.00 0.00 176.91 178.98 3b7h h GLU 14 N 1.06 0.45 -0.44 0.39 5.08 -0.61 -1.31 114.58 119.19 3b7h h GLU 14 Ca 0.25 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3b7h h GLU 14 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3b7h h GLU 14 CO -0.03 0.30 0.01 -0.07 -1.00 0.00 0.00 179.01 178.22 3b7h h LEU 15 N 0.46 0.76 -0.38 1.33 3.38 -0.69 -1.41 115.31 118.76 3b7h h LEU 15 Ca 0.15 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3b7h h LEU 15 Cb -0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3b7h h LEU 15 CO -0.07 0.87 0.13 0.40 0.09 0.00 0.00 178.44 179.86 3b7h h ILE 16 N 0.62 0.89 -0.61 1.22 2.04 -0.95 -2.49 117.51 118.23 3b7h h ILE 16 Ca 0.13 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3b7h h ILE 16 Cb 0.48 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3b7h h ILE 16 CO 0.02 0.05 0.15 0.74 0.00 0.00 0.00 178.15 179.12 3b7h h THR 17 N 0.28 1.25 -0.01 -0.27 2.02 -1.15 -1.72 112.91 113.30 3b7h h THR 17 Ca 0.17 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3b7h h THR 17 Cb 0.15 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3b7h h THR 17 CO -0.18 0.34 0.01 1.56 0.37 0.00 0.00 175.52 177.62 3b7h h GLN 18 N 0.88 0.00 -0.40 6.66 4.20 -1.12 -1.92 115.11 123.41 3b7h h GLN 18 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3b7h h GLN 18 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3b7h h GLN 18 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 3b7h n GLN 19 N -4.32 1.95 -3.35 1.46 6.02 -0.73 -4.91 117.38 113.51 3b7h n GLN 19 Ca -0.03 -1.48 -0.24 0.00 -0.01 0.00 0.00 57.00 55.24 3b7h n GLN 19 Cb 0.10 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.06 3b7h n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3b7h n ASN 20 N 0.70 -5.32 -4.93 1.08 3.02 -0.72 -5.00 115.26 104.09 3b7h n ASN 20 Ca 0.14 -0.43 -0.23 0.00 -0.03 0.00 0.00 54.58 54.03 3b7h n ASN 20 Cb 0.35 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 3b7h n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3b7h s LEU 21 N -6.83 3.02 0.23 3.41 1.43 -0.74 -5.05 118.68 114.15 3b7h s LEU 21 Ca 0.43 -0.99 0.10 0.00 -1.03 0.00 0.00 54.13 52.65 3b7h s LEU 21 Cb -0.21 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3b7h s LEU 21 CO 0.53 -1.02 -0.19 0.42 0.23 0.00 0.00 176.35 176.33 3b7h s THR 22 N -2.65 2.16 0.36 5.49 -4.23 -1.26 -4.37 115.64 111.14 3b7h s THR 22 Ca 0.45 -2.21 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3b7h s THR 22 Cb -0.03 -2.13 0.28 0.00 1.34 0.00 0.00 72.50 71.96 3b7h s THR 22 CO 0.28 -0.39 1.98 -0.29 -0.54 0.00 0.00 174.62 175.65 3b7h h ILE 23 N 2.66 1.06 -0.49 2.99 6.09 -1.97 -1.28 117.51 126.57 3b7h h ILE 23 Ca -0.41 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 62.72 3b7h h ILE 23 Cb 1.23 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 3b7h h ILE 23 CO 0.57 0.14 -0.10 -1.13 -3.07 0.00 0.00 178.15 174.56 3b7h h ASN 24 N 0.76 0.93 -0.55 2.19 -0.73 -1.98 0.96 115.58 117.16 3b7h h ASN 24 Ca 0.28 -0.35 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 3b7h h ASN 24 Cb 0.16 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 3b7h h ASN 24 CO -0.09 1.07 0.21 -0.09 -0.37 0.00 0.00 177.43 178.16 3b7h h ARG 25 N 0.78 0.82 -0.34 6.67 9.65 -1.82 -0.29 114.38 129.85 3b7h h ARG 25 Ca 0.13 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 3b7h h ARG 25 Cb 0.65 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3b7h h ARG 25 CO 0.04 0.72 0.11 0.28 2.80 0.00 0.00 179.97 183.93 3b7h h VAL 26 N 0.75 1.20 -0.60 0.20 2.07 -1.09 -0.29 116.25 118.49 3b7h h VAL 26 Ca 0.18 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3b7h h VAL 26 Cb 0.22 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3b7h h VAL 26 CO -0.01 0.23 0.30 0.00 0.02 0.00 0.00 177.57 178.10 3b7h h ALA 27 N 0.95 0.79 -0.04 1.67 0.00 -0.63 0.40 119.26 122.40 3b7h h ALA 27 Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3b7h h ALA 27 Cb 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3b7h h ALA 27 CO -0.00 -0.06 0.01 1.79 0.00 0.00 0.00 179.25 180.98 3b7h h THR 28 N 0.55 1.18 -0.64 0.00 1.35 -0.65 -0.03 112.91 114.68 3b7h h THR 28 Ca 0.28 -0.55 -0.07 0.00 -0.55 0.00 0.00 66.41 65.52 3b7h h THR 28 Cb 0.22 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 3b7h h THR 28 CO -0.21 0.15 0.14 -0.07 -0.25 0.00 0.00 175.52 175.28 3b7h h LEU 29 N -0.14 0.96 0.00 3.87 3.38 -0.72 -2.21 115.31 120.44 3b7h h LEU 29 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3b7h h LEU 29 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3b7h h LEU 29 CO 0.00 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.47 3b7h n ALA 30 N -2.46 2.37 -1.86 1.53 0.00 0.14 -4.93 120.51 115.30 3b7h n ALA 30 Ca 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 3b7h n ALA 30 Cb 0.26 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 3b7h n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b7h n GLY 31 N 1.40 0.43 3.93 0.00 0.00 -0.15 -4.91 105.19 105.90 3b7h n GLY 31 Ca 0.10 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 3b7h n GLY 31 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3b7h s LEU 32 N -2.96 4.14 0.39 0.99 -0.00 -0.45 -5.02 118.68 115.78 3b7h s LEU 32 Ca 0.00 0.42 0.03 0.00 -0.00 0.00 0.00 54.13 54.58 3b7h s LEU 32 Cb 0.00 -3.23 -0.01 0.00 -0.00 0.00 0.00 46.19 42.95 3b7h s LEU 32 CO 0.00 -0.15 0.56 0.54 -0.00 0.00 0.00 176.35 177.30 3b7h s ASN 33 N -3.55 5.92 0.33 1.48 2.20 -1.26 -4.44 114.94 115.63 3b7h s ASN 33 Ca 0.39 0.07 0.06 0.00 -0.94 0.00 0.00 52.86 52.43 3b7h s ASN 33 Cb -0.10 -1.42 0.70 0.00 -2.00 0.00 0.00 41.25 38.43 3b7h s ASN 33 CO 0.31 -0.54 1.88 -0.61 -2.94 0.00 0.00 177.10 175.20 3b7h h GLN 34 N 0.66 0.80 -0.77 3.55 5.75 -1.98 0.75 115.11 123.87 3b7h h GLN 34 Ca -0.46 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.05 3b7h h GLN 34 Cb 1.25 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 3b7h h GLN 34 CO 0.55 0.53 0.45 0.66 -2.65 0.00 0.00 178.83 178.37 3b7h h SER 35 N 0.82 0.68 -0.27 -0.69 4.64 -1.99 0.49 113.55 117.24 3b7h h SER 35 Ca 0.43 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.67 3b7h h SER 35 Cb 0.53 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3b7h h SER 35 CO -0.20 0.43 -0.27 0.74 -0.87 0.00 0.00 176.83 176.66 3b7h h THR 36 N 0.82 1.31 0.14 2.95 2.02 -1.26 -1.31 112.91 117.57 3b7h h THR 36 Ca 0.34 -1.44 0.01 0.00 0.77 0.00 0.00 66.41 66.09 3b7h h THR 36 Cb 0.20 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3b7h h THR 36 CO -0.19 0.46 -0.17 0.58 0.37 0.00 0.00 175.52 176.57 3b7h h VAL 37 N 0.40 0.61 -0.79 3.16 2.07 -1.01 -1.94 116.25 118.75 3b7h h VAL 37 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3b7h h VAL 37 Cb 0.84 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3b7h h VAL 37 CO 0.07 0.00 0.46 0.78 0.02 0.00 0.00 177.57 178.90 3b7h h ASN 38 N -0.36 0.69 -0.24 0.57 2.35 0.05 -2.81 115.58 115.82 3b7h h ASN 38 Ca 0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3b7h h ASN 38 Cb 0.36 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3b7h h ASN 38 CO -0.07 0.42 0.15 0.00 -1.65 0.00 0.00 177.43 176.29 3b7h h ALA 39 N 1.41 0.31 -0.94 -0.83 0.00 -1.01 -1.03 119.26 117.16 3b7h h ALA 39 Ca 0.36 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.47 3b7h h ALA 39 Cb 0.25 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.77 3b7h h ALA 39 CO -0.20 -0.20 -0.04 1.98 0.00 0.00 0.00 179.25 180.79 3b7h h MET 40 N 0.32 0.02 -0.08 0.00 1.85 -1.09 -0.77 114.93 115.19 3b7h h MET 40 Ca 0.09 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 3b7h h MET 40 Cb -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.02 3b7h h MET 40 CO -0.02 0.02 0.00 1.19 -0.40 0.00 0.00 176.91 177.70 3b7h n PHE 41 N -5.49 0.07 -2.58 1.39 3.72 -1.02 -4.50 117.46 109.04 3b7h n PHE 41 Ca 0.20 -0.03 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 3b7h n PHE 41 Cb 0.64 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.16 3b7h n PHE 41 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3b7h s GLU 42 N -1.93 4.06 0.38 -1.08 0.41 -0.29 -4.94 118.70 115.30 3b7h s GLU 42 Ca 0.31 1.17 0.08 0.00 -0.41 0.00 0.00 54.97 56.11 3b7h s GLU 42 Cb 0.20 -3.76 0.81 0.00 -1.78 0.00 0.00 34.13 29.60 3b7h s GLU 42 CO 0.31 -0.92 1.96 0.78 -0.49 0.00 0.00 175.26 176.90 3b7h h GLY 43 N 10.18 0.89 -0.61 -1.39 0.00 -1.87 -2.51 103.07 107.76 3b7h h GLY 43 Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3b7h h GLY 43 CO 1.03 0.19 0.00 0.54 0.00 0.00 0.00 176.54 178.29 3b7h n ARG 44 N -4.48 1.65 -2.67 4.80 5.12 -1.26 -4.82 116.66 114.99 3b7h n ARG 44 Ca 0.11 -0.98 -0.37 0.00 -1.93 0.00 0.00 57.85 54.69 3b7h n ARG 44 Cb 0.27 -1.41 -0.05 0.00 -1.16 0.00 0.00 32.46 30.11 3b7h n ARG 44 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3b7h s SER 45 N -1.68 7.08 0.20 0.55 0.15 -0.95 -4.98 113.70 114.07 3b7h s SER 45 Ca 0.34 1.93 0.26 0.00 0.70 0.00 0.00 55.95 59.17 3b7h s SER 45 Cb 0.18 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.77 3b7h s SER 45 CO 0.28 -0.26 1.78 0.29 1.20 0.00 0.00 173.24 176.52 3b7h n LYS 46 N 0.25 0.23 -1.79 5.44 5.02 -1.26 -4.81 118.16 121.24 3b7h n LYS 46 Ca 0.03 0.23 -0.31 0.00 -2.02 0.00 0.00 58.31 56.24 3b7h n LYS 46 Cb 0.50 -1.79 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3b7h n LYS 46 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3b7h s ARG 47 N -3.12 3.36 0.51 1.97 0.52 -1.26 -4.70 118.95 116.23 3b7h s ARG 47 Ca 0.10 0.78 -0.20 0.00 -0.52 0.00 0.00 55.73 55.89 3b7h s ARG 47 Cb 0.12 -2.05 -0.07 0.00 0.52 0.00 0.00 34.95 33.47 3b7h s ARG 47 CO 0.56 -0.75 1.08 -2.14 0.02 0.00 0.00 175.30 174.08 3b7h s PRO 48 N -5.16 3.61 0.70 3.54 0.02 -1.26 -4.51 135.00 131.94 3b7h s PRO 48 Ca 0.56 1.48 -0.07 0.00 0.02 0.00 0.00 61.00 62.99 3b7h s PRO 48 Cb -0.12 -2.06 0.06 0.00 0.02 0.00 0.00 34.50 32.40 3b7h s PRO 48 CO 0.54 -0.61 1.02 0.95 -0.33 0.00 0.00 177.00 178.57 3b7h s THR 49 N -1.88 2.38 0.25 0.99 -4.23 -1.26 -4.94 115.64 106.95 3b7h s THR 49 Ca 0.70 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 3b7h s THR 49 Cb -0.20 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 70.85 3b7h s THR 49 CO 0.23 -0.05 1.90 0.40 -0.54 0.00 0.00 174.62 176.56 3b7h h ILE 50 N -0.59 1.16 -0.12 2.99 2.04 -1.99 -1.44 117.51 119.55 3b7h h ILE 50 Ca -0.45 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.02 3b7h h ILE 50 Cb 1.31 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3b7h h ILE 50 CO 0.61 0.22 -0.04 0.74 0.00 0.00 0.00 178.15 179.68 3b7h h THR 51 N 1.22 0.86 -0.35 -0.27 2.02 -1.99 0.16 112.91 114.58 3b7h h THR 51 Ca 0.39 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.57 3b7h h THR 51 Cb 0.02 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3b7h h THR 51 CO -0.13 0.00 0.20 0.74 0.37 0.00 0.00 175.52 176.70 3b7h h THR 52 N -0.01 1.13 -0.51 3.16 2.02 -1.84 -0.70 112.91 116.15 3b7h h THR 52 Ca 0.06 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.95 3b7h h THR 52 Cb 0.10 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3b7h h THR 52 CO -0.13 0.13 0.30 0.40 0.37 0.00 0.00 175.52 176.58 3b7h h ILE 53 N 0.44 1.03 -0.52 3.11 2.04 -1.00 -1.53 117.51 121.08 3b7h h ILE 53 Ca 0.12 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3b7h h ILE 53 Cb 0.03 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3b7h h ILE 53 CO -0.02 0.11 0.31 -0.09 0.00 0.00 0.00 178.15 178.46 3b7h h ARG 54 N 0.59 0.60 -0.36 2.37 2.43 -0.26 0.19 114.38 119.94 3b7h h ARG 54 Ca 0.21 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3b7h h ARG 54 Cb 0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3b7h h ARG 54 CO -0.11 0.39 0.13 0.87 -1.51 0.00 0.00 179.97 179.75 3b7h h LYS 55 N 0.61 0.54 -0.80 0.20 1.57 -0.74 -1.44 116.57 116.51 3b7h h LYS 55 Ca 0.21 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3b7h h LYS 55 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3b7h h LYS 55 CO -0.10 0.53 0.40 0.28 -0.57 0.00 0.00 179.45 180.00 3b7h h VAL 56 N 0.43 1.25 -0.95 0.50 2.07 -1.05 -2.59 116.25 115.90 3b7h h VAL 56 Ca 0.12 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.00 3b7h h VAL 56 Cb 0.20 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 3b7h h VAL 56 CO -0.01 0.29 0.62 0.00 0.02 0.00 0.00 177.57 178.49 3b7h h GLY 58 N 1.22 0.64 1.38 0.00 0.00 -0.90 0.48 103.07 105.89 3b7h h GLY 58 Ca 0.37 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3b7h h GLY 58 CO -0.10 0.16 0.02 -0.84 0.00 0.00 0.00 176.54 175.78 3b7h h THR 59 N 0.53 1.24 0.00 4.70 2.02 -1.02 -2.43 112.91 117.94 3b7h h THR 59 Ca 0.19 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3b7h h THR 59 Cb 0.03 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3b7h h THR 59 CO -0.09 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.31 3b7h n LEU 60 N -4.23 0.68 -0.58 2.58 4.77 -0.03 -4.93 117.00 115.26 3b7h n LEU 60 Ca 0.03 0.59 -0.06 0.00 -0.03 0.00 0.00 56.01 56.53 3b7h n LEU 60 Cb 0.28 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3b7h n LEU 60 CO 0.41 -0.24 -0.07 0.61 -1.33 0.00 0.00 177.39 176.77 3b7h n GLY 61 N 1.02 0.44 3.43 -0.72 0.00 0.07 -5.05 105.19 104.39 3b7h n GLY 61 Ca 0.05 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3b7h n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b7h s ILE 62 N -2.26 2.29 0.41 -0.61 -4.36 -0.68 -5.03 121.20 110.95 3b7h s ILE 62 Ca 0.00 -2.29 -0.15 0.00 -0.26 0.00 0.00 60.65 57.95 3b7h s ILE 62 Cb 0.00 -2.20 -0.08 0.00 1.25 0.00 0.00 42.46 41.43 3b7h s ILE 62 CO 0.00 -0.39 0.83 -0.94 0.24 0.00 0.00 174.94 174.68 3b7h s SER 63 N -3.30 6.68 0.25 4.36 1.04 -1.26 -4.13 113.70 117.34 3b7h s SER 63 Ca 0.26 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.99 3b7h s SER 63 Cb -0.05 -2.41 0.27 0.00 0.10 0.00 0.00 66.02 63.94 3b7h s SER 63 CO 0.12 -0.37 1.90 0.58 0.98 0.00 0.00 173.24 176.45 3b7h h VAL 64 N 1.45 1.25 -0.37 5.02 2.07 -1.93 0.33 116.25 124.07 3b7h h VAL 64 Ca -0.48 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 66.58 3b7h h VAL 64 Cb 1.18 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3b7h h VAL 64 CO 0.63 0.26 -0.12 -0.74 0.02 0.00 0.00 177.57 177.63 3b7h h HIS 65 N 1.27 -0.27 -0.45 1.57 -0.00 -1.98 -2.29 115.15 112.99 3b7h h HIS 65 Ca 0.33 0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.63 3b7h h HIS 65 Cb -0.06 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 3b7h h HIS 65 CO 0.00 -0.19 -0.15 -0.44 -0.00 0.00 0.00 177.93 177.15 3b7h h ASP 66 N -0.04 0.86 -0.94 3.26 3.32 -1.77 -2.72 116.42 118.39 3b7h h ASP 66 Ca 0.18 -0.29 0.24 0.00 0.02 0.00 0.00 57.03 57.19 3b7h h ASP 66 Cb 0.31 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 39.50 3b7h h ASP 66 CO -0.40 1.01 0.47 0.15 -1.72 0.00 0.00 179.24 178.75 3b7h h PHE 67 N 0.76 0.79 -0.35 4.55 3.57 -0.52 -1.37 116.94 124.37 3b7h h PHE 67 Ca 0.12 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3b7h h PHE 67 Cb 0.67 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3b7h h PHE 67 CO 0.04 -0.03 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 3b7h n PHE 68 N -5.00 0.55 -1.82 0.41 3.72 -0.90 -4.49 117.46 109.93 3b7h n PHE 68 Ca 0.25 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3b7h n PHE 68 Cb 0.72 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.21 3b7h n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3b7h n ASP 69 N 0.53 6.64 -3.57 4.37 2.03 -0.52 -3.69 116.55 122.34 3b7h n ASP 69 Ca 0.12 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.39 3b7h n ASP 69 Cb 0.35 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 3b7h n ASP 69 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3b7h s PHE 70 N 1.12 -0.41 0.35 -0.67 -0.12 -1.26 -4.97 117.98 112.02 3b7h s PHE 70 Ca 0.54 0.42 -0.27 0.00 -0.05 0.00 0.00 56.93 57.56 3b7h s PHE 70 Cb 0.15 0.35 -0.09 0.00 -0.63 0.00 0.00 43.02 42.80 3b7h s PHE 70 CO -0.06 -0.66 1.18 -2.14 -0.05 0.00 0.00 175.22 173.49 3b7h s PRO 71 N -2.62 4.28 0.00 1.99 0.02 -1.26 -1.40 135.00 136.01 3b7h s PRO 71 Ca -0.04 1.90 0.29 0.00 0.02 0.00 0.00 61.00 63.16 3b7h s PRO 71 Cb -0.00 -2.89 1.21 0.00 0.02 0.00 0.00 34.50 32.83 3b7h s PRO 71 CO -0.03 -0.14 1.86 -0.35 -0.33 0.00 0.00 177.00 178.00 3b7h n PRO 72 N 0.52 0.50 0.23 5.54 -0.04 -1.26 -4.90 135.00 135.59 3b7h n PRO 72 Ca 0.02 -0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.48 3b7h n PRO 72 Cb 0.45 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.83 3b7h n PRO 72 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3b7h h TYR 73 N 0.36 0.00 -0.60 0.54 -1.99 -1.49 -2.72 116.97 111.07 3b7h h TYR 73 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3b7h h TYR 73 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 3b7h h TYR 73 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 3b7h n ASN 74 N -3.00 5.08 -4.27 3.88 6.94 -0.77 -4.91 115.26 118.23 3b7h n ASN 74 Ca 0.03 -2.66 -0.16 0.00 -0.02 0.00 0.00 54.58 51.77 3b7h n ASN 74 Cb 0.41 -0.61 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 3b7h n ASN 74 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3b7h s GLU 75 N -2.24 1.10 0.00 -3.83 0.41 -1.03 -4.97 118.70 108.14 3b7h s GLU 75 Ca 0.52 -1.41 0.27 0.00 -0.41 0.00 0.00 54.97 53.94 3b7h s GLU 75 Cb 0.36 -0.80 0.85 0.00 -1.78 0.00 0.00 34.13 32.76 3b7h s GLU 75 CO 0.20 0.13 1.63 1.33 -0.49 0.00 0.00 175.26 178.06