#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq6 s ASP 2 N 0.00 3.53 -0.03 0.00 3.68 -1.26 -4.84 116.67 117.76 3iq6 s ASP 2 Ca 0.00 2.11 -0.23 0.00 2.13 0.00 0.00 52.55 56.56 3iq6 s ASP 2 Cb 0.00 -2.56 -0.23 0.00 -1.45 0.00 0.00 42.92 38.68 3iq6 s ASP 2 CO 0.00 -2.69 1.06 0.25 0.13 0.00 0.00 175.17 173.92 3iq6 h LEU 3 N -1.46 0.32 0.14 -1.34 6.46 -1.97 -1.94 115.31 115.52 3iq6 h LEU 3 Ca -0.44 -0.76 -0.01 0.00 -0.12 0.00 0.00 57.88 56.56 3iq6 h LEU 3 Cb 1.26 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3iq6 h LEU 3 CO 0.45 1.04 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.91 3iq6 h GLU 4 N -0.36 -0.18 -0.61 1.25 5.08 -1.97 0.83 114.58 118.62 3iq6 h GLU 4 Ca -0.04 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3iq6 h GLU 4 Cb 1.08 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 3iq6 h GLU 4 CO 0.07 -0.06 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.55 3iq6 h ASP 5 N -0.25 -0.33 -0.09 1.42 5.19 -1.96 1.16 116.42 121.56 3iq6 h ASP 5 Ca -0.02 0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.43 3iq6 h ASP 5 Cb 0.20 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3iq6 h ASP 5 CO 0.03 -0.13 -0.31 0.78 -3.12 0.00 0.00 179.24 176.49 3iq6 h ASN 6 N 0.09 0.59 0.33 6.45 2.35 -0.83 0.11 115.58 124.67 3iq6 h ASN 6 Ca 0.31 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 3iq6 h ASN 6 Cb 0.50 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3iq6 h ASN 6 CO -0.54 0.87 -0.45 0.24 -1.65 0.00 0.00 177.43 175.90 3iq6 h MET 7 N 0.49 0.14 -0.09 0.81 2.86 0.34 0.07 114.93 119.55 3iq6 h MET 7 Ca 0.06 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 3iq6 h MET 7 Cb 0.78 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.45 3iq6 h MET 7 CO 0.06 0.57 -0.63 1.49 1.06 0.00 0.00 176.91 179.46 3iq6 h GLU 8 N 0.12 0.58 -0.84 1.72 4.57 0.17 0.94 114.58 121.84 3iq6 h GLU 8 Ca 0.01 -0.51 0.05 0.00 -1.18 0.00 0.00 59.36 57.73 3iq6 h GLU 8 Cb 0.84 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.49 3iq6 h GLU 8 CO 0.06 1.13 0.53 1.15 -1.18 0.00 0.00 179.01 180.70 3iq6 h THR 9 N 0.20 1.08 0.43 0.32 2.02 -0.64 0.60 112.91 116.92 3iq6 h THR 9 Ca -0.05 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3iq6 h THR 9 Cb 1.28 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3iq6 h THR 9 CO 0.13 0.18 -0.21 0.25 0.37 0.00 0.00 175.52 176.24 3iq6 h LEU 10 N 0.99 -0.49 -1.03 2.58 5.85 -0.71 -2.09 115.31 120.41 3iq6 h LEU 10 Ca 0.35 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3iq6 h LEU 10 Cb 0.10 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3iq6 h LEU 10 CO -0.15 -0.17 0.65 -1.13 -0.34 0.00 0.00 178.44 177.31 3iq6 h ASN 11 N -0.83 1.11 -0.38 1.25 -1.24 0.13 -2.47 115.58 113.15 3iq6 h ASN 11 Ca -0.06 -0.02 -0.14 0.00 0.71 0.00 0.00 56.30 56.79 3iq6 h ASN 11 Cb 0.55 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 3iq6 h ASN 11 CO 0.10 0.78 -0.30 0.44 -1.29 0.00 0.00 177.43 177.16 3iq6 h ASP 12 N 1.30 0.92 1.27 1.15 3.32 0.20 -3.14 116.42 121.44 3iq6 h ASP 12 Ca 0.38 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3iq6 h ASP 12 Cb -0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.22 3iq6 h ASP 12 CO -0.10 1.17 0.00 0.78 -1.72 0.00 0.00 179.24 179.37 3iq6 h ASN 13 N 0.68 0.00 -0.31 6.45 4.21 -1.17 -2.95 115.58 122.49 3iq6 h ASN 13 Ca 0.07 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.42 3iq6 h ASN 13 Cb 0.88 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 3iq6 h ASN 13 CO 0.08 0.00 -0.41 0.25 -1.29 0.00 0.00 177.43 176.06 3iq6 h LEU 14 N 0.00 0.93 -0.81 1.61 5.85 -1.40 -2.53 115.31 118.96 3iq6 h LEU 14 Ca 0.00 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 3iq6 h LEU 14 Cb 0.63 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3iq6 h LEU 14 CO 0.00 1.21 -0.49 0.11 -0.34 0.00 0.00 178.44 178.93 3iq6 h LYS 15 N 0.70 0.25 -0.53 1.25 1.57 -1.56 -1.54 116.57 116.71 3iq6 h LYS 15 Ca 0.05 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3iq6 h LYS 15 Cb 0.99 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3iq6 h LYS 15 CO 0.10 0.69 0.06 0.28 -0.57 0.00 0.00 179.45 180.00 3iq6 h VAL 16 N 0.20 1.24 -0.40 0.50 2.07 -1.39 0.23 116.25 118.70 3iq6 h VAL 16 Ca 0.01 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.42 3iq6 h VAL 16 Cb 0.94 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3iq6 h VAL 16 CO 0.08 0.35 -0.32 0.40 0.02 0.00 0.00 177.57 178.09 3iq6 h ILE 17 N 0.82 1.27 0.35 4.57 2.04 -1.24 0.44 117.51 125.75 3iq6 h ILE 17 Ca 0.17 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3iq6 h ILE 17 Cb 0.41 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3iq6 h ILE 17 CO 0.01 0.50 -0.19 -0.08 0.00 0.00 0.00 178.15 178.39 3iq6 h GLU 18 N 0.75 -0.49 0.00 2.37 4.81 -0.67 -1.12 114.58 120.23 3iq6 h GLU 18 Ca 0.08 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3iq6 h GLU 18 Cb 0.90 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3iq6 h GLU 18 CO 0.08 -0.33 0.00 1.63 -0.73 0.00 0.00 179.01 179.67 3iq6 n LYS 19 N -5.32 0.94 -1.57 1.92 5.02 0.01 -4.90 118.16 114.26 3iq6 n LYS 19 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 3iq6 n LYS 19 Cb 0.23 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 3iq6 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iq6 n ALA 20 N -0.68 -0.20 -0.03 7.82 0.00 0.13 -4.91 120.51 122.64 3iq6 n ALA 20 Ca 0.08 0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 3iq6 n ALA 20 Cb 0.04 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 3iq6 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iq6 n ASP 21 N 0.56 3.42 -4.01 0.00 8.00 -1.26 -5.04 116.55 118.21 3iq6 n ASP 21 Ca 0.10 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 3iq6 n ASP 21 Cb 0.40 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 3iq6 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iq6 s ASN 22 N -4.59 2.37 0.19 -2.24 2.20 -1.26 -5.07 114.94 106.54 3iq6 s ASN 22 Ca -0.08 -1.65 -0.08 0.00 -0.94 0.00 0.00 52.86 50.11 3iq6 s ASN 22 Cb 0.02 0.46 0.10 0.00 -2.00 0.00 0.00 41.25 39.83 3iq6 s ASN 22 CO 0.13 -0.92 1.65 0.00 -2.94 0.00 0.00 177.10 175.02 3iq6 h ALA 23 N 1.94 0.86 -0.77 3.54 0.00 -1.91 -3.02 119.26 119.90 3iq6 h ALA 23 Ca -0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 3iq6 h ALA 23 Cb 1.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3iq6 h ALA 23 CO 0.54 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.85 3iq6 h ALA 24 N 1.02 1.25 -0.42 0.00 0.00 -1.98 -0.74 119.26 118.38 3iq6 h ALA 24 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3iq6 h ALA 24 Cb 0.56 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3iq6 h ALA 24 CO 0.03 0.59 0.13 1.96 0.00 0.00 0.00 179.25 181.97 3iq6 h GLN 25 N 1.09 0.66 -0.29 0.00 4.20 -1.97 -2.60 115.11 116.20 3iq6 h GLN 25 Ca 0.27 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3iq6 h GLN 25 Cb 0.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3iq6 h GLN 25 CO -0.04 0.64 -0.03 0.28 -0.67 0.00 0.00 178.83 179.02 3iq6 h VAL 26 N 0.54 1.27 0.47 -0.54 2.07 -1.33 -2.69 116.25 116.04 3iq6 h VAL 26 Ca 0.14 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3iq6 h VAL 26 Cb 0.26 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3iq6 h VAL 26 CO -0.00 0.32 -0.33 0.11 0.02 0.00 0.00 177.57 177.68 3iq6 h LYS 27 N 0.30 -0.74 -0.98 1.57 1.57 -1.12 -0.37 116.57 116.81 3iq6 h LYS 27 Ca 0.08 0.05 0.23 0.00 -1.87 0.00 0.00 60.65 59.14 3iq6 h LYS 27 Cb 0.47 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 3iq6 h LYS 27 CO 0.02 -0.49 0.64 0.22 -0.57 0.00 0.00 179.45 179.26 3iq6 h ASP 28 N -0.77 0.43 -0.12 0.86 1.82 -1.55 0.86 116.42 117.95 3iq6 h ASP 28 Ca -0.06 0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.54 3iq6 h ASP 28 Cb 0.63 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.63 3iq6 h ASP 28 CO 0.03 0.14 -0.30 0.00 -1.61 0.00 0.00 179.24 177.50 3iq6 h ALA 29 N 1.61 0.19 -0.65 -0.78 0.00 -1.23 -2.12 119.26 116.28 3iq6 h ALA 29 Ca 0.53 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3iq6 h ALA 29 Cb 1.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3iq6 h ALA 29 CO -0.23 0.21 0.06 -0.07 0.00 0.00 0.00 179.25 179.23 3iq6 h LEU 30 N -0.02 1.07 -1.31 0.00 3.38 0.57 0.12 115.31 119.12 3iq6 h LEU 30 Ca -0.00 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3iq6 h LEU 30 Cb 0.90 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3iq6 h LEU 30 CO 0.06 1.09 0.47 0.74 0.09 0.00 0.00 178.44 180.89 3iq6 h THR 31 N 1.03 1.15 0.02 0.22 2.02 0.69 0.40 112.91 118.43 3iq6 h THR 31 Ca 0.19 -0.32 -0.21 0.00 0.77 0.00 0.00 66.41 66.85 3iq6 h THR 31 Cb 0.50 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3iq6 h THR 31 CO 0.02 0.17 -0.96 0.11 0.37 0.00 0.00 175.52 175.23 3iq6 h LYS 32 N 0.92 0.15 -0.09 6.66 1.57 -0.91 -3.04 116.57 121.84 3iq6 h LYS 32 Ca 0.27 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3iq6 h LYS 32 Cb -0.04 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3iq6 h LYS 32 CO -0.07 0.99 -0.34 0.52 -0.57 0.00 0.00 179.45 179.99 3iq6 h MET 33 N 0.07 0.18 -0.04 3.15 2.86 0.40 -2.53 114.93 119.02 3iq6 h MET 33 Ca -0.05 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.33 3iq6 h MET 33 Cb 1.63 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 3iq6 h MET 33 CO 0.14 0.50 -0.79 0.00 1.06 0.00 0.00 176.91 177.83 3iq6 h ALA 34 N 1.50 0.58 -0.41 6.32 0.00 -0.95 -1.53 119.26 124.75 3iq6 h ALA 34 Ca 0.02 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 3iq6 h ALA 34 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3iq6 h ALA 34 CO 0.05 0.82 -0.27 0.00 0.00 0.00 0.00 179.25 179.85 3iq6 h ALA 35 N 0.96 0.59 0.37 0.00 0.00 -1.40 -1.54 119.26 118.25 3iq6 h ALA 35 Ca -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3iq6 h ALA 35 Cb 1.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iq6 h ALA 35 CO 0.13 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.81 3iq6 h ALA 36 N 0.81 -0.50 -0.98 0.00 0.00 -1.44 0.54 119.26 117.68 3iq6 h ALA 36 Ca 0.08 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3iq6 h ALA 36 Cb 0.85 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 3iq6 h ALA 36 CO 0.07 -0.66 0.60 0.00 0.00 0.00 0.00 179.25 179.26 3iq6 h ALA 37 N -0.22 1.53 -0.17 0.00 0.00 -1.30 0.93 119.26 120.03 3iq6 h ALA 37 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3iq6 h ALA 37 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iq6 h ALA 37 CO 0.08 0.10 -0.49 0.00 0.00 0.00 0.00 179.25 178.94 3iq6 h ALA 38 N 1.58 0.83 0.00 0.00 0.00 -1.15 -3.10 119.26 117.42 3iq6 h ALA 38 Ca 0.52 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iq6 h ALA 38 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3iq6 h ALA 38 CO -0.32 0.67 -0.25 0.22 0.00 0.00 0.00 179.25 179.57 3iq6 h ASP 39 N 0.36 0.00 -0.70 0.00 3.58 0.13 -3.10 116.42 116.70 3iq6 h ASP 39 Ca 0.02 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.30 3iq6 h ASP 39 Cb 0.99 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.94 3iq6 h ASP 39 CO 0.09 0.25 0.22 0.00 -2.88 0.00 0.00 179.24 176.91 3iq6 n ALA 40 N -2.18 4.43 -0.03 -0.78 0.00 0.10 -4.37 120.51 117.67 3iq6 n ALA 40 Ca 0.02 -2.20 -0.15 0.00 0.00 0.00 0.00 53.44 51.11 3iq6 n ALA 40 Cb 0.55 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 3iq6 n ALA 40 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3iq6 h TRP 41 N 2.94 0.42 -0.00 0.00 7.01 -1.54 -3.32 115.95 121.46 3iq6 h TRP 41 Ca 0.21 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3iq6 h TRP 41 Cb 2.25 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 29.25 3iq6 h TRP 41 CO 1.24 0.92 -0.24 0.43 -2.79 0.00 0.00 178.44 177.99 3iq6 n SER 42 N -4.45 0.33 -4.61 2.65 7.64 -1.26 -4.91 113.62 109.00 3iq6 n SER 42 Ca -0.08 -0.04 -0.34 0.00 1.01 0.00 0.00 58.87 59.41 3iq6 n SER 42 Cb 0.49 -0.08 0.11 0.00 -1.01 0.00 0.00 64.21 63.71 3iq6 n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iq6 n ALA 43 N -1.39 -0.53 -3.75 -0.43 0.00 -1.25 -4.99 120.51 108.17 3iq6 n ALA 43 Ca 0.08 -0.31 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 3iq6 n ALA 43 Cb 0.33 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 17.52 3iq6 n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iq6 s THR 44 N -2.03 2.82 1.07 0.00 2.01 -1.26 -5.04 115.64 113.20 3iq6 s THR 44 Ca 0.71 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 3iq6 s THR 44 Cb -0.31 -2.39 0.20 0.00 0.01 0.00 0.00 72.50 70.01 3iq6 s THR 44 CO 0.53 0.26 0.90 -0.81 -0.69 0.00 0.00 174.62 174.80 3iq6 n PRO 45 N 4.67 -1.56 0.19 4.92 -0.04 -1.26 -4.86 135.00 137.05 3iq6 n PRO 45 Ca -0.17 -0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 62.73 3iq6 n PRO 45 Cb 0.48 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.70 3iq6 n PRO 45 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3iq6 h PRO 46 N -2.28 -0.45 0.00 0.54 0.11 -1.99 -3.11 132.00 124.82 3iq6 h PRO 46 Ca -0.53 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iq6 h PRO 46 Cb 1.31 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.52 3iq6 h PRO 46 CO 0.44 -0.18 0.00 1.63 -0.21 0.00 0.00 178.00 179.68 3iq6 n LYS 47 N -5.20 0.00 -0.78 1.05 4.76 -1.26 -1.70 118.16 115.03 3iq6 n LYS 47 Ca -0.10 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.32 3iq6 n LYS 47 Cb 0.25 -0.98 -0.02 0.00 -1.84 0.00 0.00 35.03 32.45 3iq6 n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3iq6 n LEU 48 N -0.06 -0.15 0.15 -0.35 4.77 -1.18 -4.91 117.00 115.27 3iq6 n LEU 48 Ca 0.00 -1.43 0.12 0.00 -0.03 0.00 0.00 56.01 54.67 3iq6 n LEU 48 Cb 0.00 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.64 3iq6 n LEU 48 CO 0.00 0.94 0.86 -0.08 -1.33 0.00 0.00 177.39 177.78 3iq6 h GLU 49 N 0.14 0.00 0.00 3.23 4.57 -1.33 -2.48 114.58 118.70 3iq6 h GLU 49 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3iq6 h GLU 49 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3iq6 h GLU 49 CO -0.07 0.00 -0.99 -0.40 -1.18 0.00 0.00 179.01 176.37 3iq6 n ASP 50 N -2.30 0.75 -4.84 1.04 5.68 -1.26 -4.95 116.55 110.68 3iq6 n ASP 50 Ca 0.01 0.21 -0.33 0.00 -0.50 0.00 0.00 54.79 54.18 3iq6 n ASP 50 Cb 0.16 0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 40.59 3iq6 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3iq6 s LYS 51 N -3.32 4.11 0.45 0.11 -0.14 -0.94 -5.04 119.74 114.97 3iq6 s LYS 51 Ca 0.01 0.87 -0.24 0.00 -1.36 0.00 0.00 55.97 55.24 3iq6 s LYS 51 Cb 0.11 -2.35 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 3iq6 s LYS 51 CO 0.78 0.09 1.26 0.45 -0.76 0.00 0.00 175.35 177.18 3iq6 s SER 52 N -2.21 6.09 0.57 2.83 0.15 -1.26 -4.89 113.70 114.98 3iq6 s SER 52 Ca 0.57 2.55 0.27 0.00 0.70 0.00 0.00 55.95 60.04 3iq6 s SER 52 Cb -0.10 -2.63 1.57 0.00 -1.71 0.00 0.00 66.02 63.16 3iq6 s SER 52 CO 0.16 -0.99 2.08 -0.65 1.20 0.00 0.00 173.24 175.04 3iq6 h PRO 53 N 2.26 0.00 -0.50 5.44 0.11 -1.96 0.63 132.00 137.97 3iq6 h PRO 53 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iq6 h PRO 53 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3iq6 h PRO 53 CO 0.61 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 3iq6 n ASP 54 N -3.96 3.40 -4.78 -2.05 10.43 -1.26 -4.68 116.55 113.65 3iq6 n ASP 54 Ca 0.03 -1.97 -0.32 0.00 2.57 0.00 0.00 54.79 55.10 3iq6 n ASP 54 Cb 0.36 -0.33 0.06 0.00 1.84 0.00 0.00 41.12 43.05 3iq6 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3iq6 s SER 55 N -1.06 4.93 0.60 -2.24 1.04 0.21 -4.89 113.70 112.28 3iq6 s SER 55 Ca 0.36 1.86 0.37 0.00 0.48 0.00 0.00 55.95 59.02 3iq6 s SER 55 Cb 0.19 -2.53 1.82 0.00 0.10 0.00 0.00 66.02 65.61 3iq6 s SER 55 CO 0.25 -1.75 2.16 1.55 0.98 0.00 0.00 173.24 176.43 3iq6 h PRO 56 N -0.55 0.00 -0.44 4.02 0.13 -1.94 -2.58 132.00 130.63 3iq6 h PRO 56 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 3iq6 h PRO 56 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3iq6 h PRO 56 CO 0.53 0.02 -0.22 0.93 -0.23 0.00 0.00 178.00 179.04 3iq6 h GLU 57 N 0.00 0.90 -0.06 0.86 3.07 -1.91 -2.72 114.58 114.72 3iq6 h GLU 57 Ca -0.00 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.45 3iq6 h GLU 57 Cb 0.28 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3iq6 h GLU 57 CO 0.00 1.02 -0.10 0.52 -1.40 0.00 0.00 179.01 179.06 3iq6 h MET 58 N 0.78 0.17 -0.65 2.33 2.86 -1.72 -1.95 114.93 116.75 3iq6 h MET 58 Ca 0.10 -0.10 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3iq6 h MET 58 Cb 0.77 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.32 3iq6 h MET 58 CO 0.06 0.67 -0.40 0.45 1.06 0.00 0.00 176.91 178.75 3iq6 h HIS 59 N -0.31 -1.15 -0.09 -0.22 3.86 -1.49 0.51 115.15 116.27 3iq6 h HIS 59 Ca 0.01 0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3iq6 h HIS 59 Cb 0.65 0.59 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 3iq6 h HIS 59 CO 0.11 -0.41 -0.11 0.22 0.86 0.00 0.00 177.93 178.60 3iq6 h ASP 60 N -0.17 0.13 0.11 2.45 3.58 -1.50 0.53 116.42 121.55 3iq6 h ASP 60 Ca 0.22 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 3iq6 h ASP 60 Cb 0.56 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.58 3iq6 h ASP 60 CO -0.73 0.26 -0.06 0.15 -2.88 0.00 0.00 179.24 175.98 3iq6 h PHE 61 N 0.13 -0.14 -0.20 0.28 3.57 0.50 -3.02 116.94 118.06 3iq6 h PHE 61 Ca 0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3iq6 h PHE 61 Cb 0.28 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3iq6 h PHE 61 CO 0.00 0.16 -0.04 0.00 -2.23 0.00 0.00 178.31 176.20 3iq6 h ARG 62 N -0.45 0.30 -0.84 1.11 3.08 0.48 -2.66 114.38 115.39 3iq6 h ARG 62 Ca -0.02 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.11 3iq6 h ARG 62 Cb 0.36 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 3iq6 h ARG 62 CO 0.03 0.36 0.46 1.25 -1.07 0.00 0.00 179.97 180.99 3iq6 h HIS 63 N 0.29 0.81 -0.70 3.04 2.76 0.17 -1.23 115.15 120.29 3iq6 h HIS 63 Ca 0.07 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.38 3iq6 h HIS 63 Cb 0.26 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 3iq6 h HIS 63 CO 0.01 0.25 0.47 0.78 -1.30 0.00 0.00 177.93 178.13 3iq6 h GLY 64 N 0.69 0.73 1.12 5.26 0.00 -1.45 -1.69 103.07 107.74 3iq6 h GLY 64 Ca 0.44 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 3iq6 h GLY 64 CO -0.32 0.10 -0.48 0.74 0.00 0.00 0.00 176.54 176.59 3iq6 h PHE 65 N 0.49 1.09 -0.72 5.60 0.05 -1.35 -1.21 116.94 120.88 3iq6 h PHE 65 Ca 0.33 -0.37 0.11 0.00 3.82 0.00 0.00 57.97 61.86 3iq6 h PHE 65 Cb 0.63 -0.21 -0.08 0.00 2.00 0.00 0.00 35.95 38.29 3iq6 h PHE 65 CO -0.00 1.19 0.33 -1.49 -0.18 0.00 0.00 178.31 178.16 3iq6 h TRP 66 N 0.67 0.58 0.02 -0.55 6.55 -1.14 0.78 115.95 122.86 3iq6 h TRP 66 Ca 0.03 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 3iq6 h TRP 66 Cb 1.08 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 3iq6 h TRP 66 CO 0.07 0.16 -0.01 0.82 -1.05 0.00 0.00 178.44 178.44 3iq6 h ILE 67 N 0.54 1.13 -0.32 1.49 1.08 -1.24 -0.11 117.51 120.08 3iq6 h ILE 67 Ca 0.37 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3iq6 h ILE 67 Cb 0.46 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 3iq6 h ILE 67 CO -0.32 0.12 0.18 0.25 -0.69 0.00 0.00 178.15 177.69 3iq6 h LEU 68 N -0.21 0.39 -0.59 1.44 5.85 -0.29 -1.22 115.31 120.67 3iq6 h LEU 68 Ca -0.00 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3iq6 h LEU 68 Cb 0.21 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3iq6 h LEU 68 CO 0.00 0.36 0.37 0.40 -0.34 0.00 0.00 178.44 179.23 3iq6 h ILE 69 N 0.39 1.10 -0.81 4.05 2.04 0.65 -0.51 117.51 124.42 3iq6 h ILE 69 Ca 0.11 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3iq6 h ILE 69 Cb 0.05 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 3iq6 h ILE 69 CO -0.02 0.13 0.49 1.23 0.00 0.00 0.00 178.15 179.99 3iq6 h GLY 70 N 0.74 1.17 1.28 5.37 0.00 -0.71 0.09 103.07 111.01 3iq6 h GLY 70 Ca 0.23 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3iq6 h GLY 70 CO -0.08 0.47 -0.14 1.46 0.00 0.00 0.00 176.54 178.26 3iq6 h GLN 71 N 1.11 0.85 -0.31 4.80 4.20 -0.74 -2.47 115.11 122.55 3iq6 h GLN 71 Ca 0.29 -0.30 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 3iq6 h GLN 71 Cb -0.05 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 3iq6 h GLN 71 CO -0.05 0.93 -0.44 0.82 -0.67 0.00 0.00 178.83 179.42 3iq6 h ILE 72 N 0.76 1.28 -0.08 2.54 2.04 -0.73 -1.11 117.51 122.21 3iq6 h ILE 72 Ca 0.12 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.40 3iq6 h ILE 72 Cb 0.65 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 3iq6 h ILE 72 CO 0.05 0.53 -0.24 -0.74 0.00 0.00 0.00 178.15 177.75 3iq6 h HIS 73 N 0.63 -0.63 -0.67 1.37 2.76 -0.87 0.47 115.15 118.22 3iq6 h HIS 73 Ca 0.03 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 3iq6 h HIS 73 Cb 1.04 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 30.26 3iq6 h HIS 73 CO 0.07 -0.32 0.09 0.22 -1.30 0.00 0.00 177.93 176.69 3iq6 h ASP 74 N -0.33 1.07 -0.88 3.26 3.58 -1.41 -2.42 116.42 119.29 3iq6 h ASP 74 Ca 0.08 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.29 3iq6 h ASP 74 Cb 0.45 -0.29 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 3iq6 h ASP 74 CO -0.27 1.07 0.58 0.00 -2.88 0.00 0.00 179.24 177.75 3iq6 h ALA 75 N 1.04 1.40 -0.28 -0.78 0.00 -0.81 -1.83 119.26 118.01 3iq6 h ALA 75 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iq6 h ALA 75 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iq6 h ALA 75 CO 0.02 0.53 0.16 1.25 0.00 0.00 0.00 179.25 181.21 3iq6 h LEU 76 N 1.16 0.34 -0.99 0.00 6.46 -0.43 -1.25 115.31 120.60 3iq6 h LEU 76 Ca 0.33 -0.07 0.14 0.00 -0.12 0.00 0.00 57.88 58.16 3iq6 h LEU 76 Cb -0.07 -0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 39.68 3iq6 h LEU 76 CO -0.08 0.32 0.61 0.45 -0.62 0.00 0.00 178.44 179.12 3iq6 h HIS 77 N 0.34 1.10 -0.24 1.25 3.86 -1.05 0.43 115.15 120.83 3iq6 h HIS 77 Ca 0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3iq6 h HIS 77 Cb 0.05 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3iq6 h HIS 77 CO -0.04 0.37 0.07 -0.07 0.86 0.00 0.00 177.93 179.12 3iq6 h LEU 78 N 0.90 0.35 -1.09 2.43 3.38 -0.76 -1.90 115.31 118.62 3iq6 h LEU 78 Ca 0.52 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 3iq6 h LEU 78 Cb 0.62 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3iq6 h LEU 78 CO -0.31 0.48 -0.16 0.00 0.09 0.00 0.00 178.44 178.54 3iq6 h ALA 79 N 0.89 1.24 0.00 1.53 0.00 -0.16 -1.42 119.26 121.34 3iq6 h ALA 79 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3iq6 h ALA 79 Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iq6 h ALA 79 CO -0.00 0.50 -0.12 -0.91 0.00 0.00 0.00 179.25 178.72 3iq6 h ASN 80 N 0.42 0.00 0.32 0.00 -0.26 0.18 -0.88 115.58 115.35 3iq6 h ASN 80 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3iq6 h ASN 80 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 3iq6 h ASN 80 CO 0.03 0.12 -0.10 -0.62 -1.06 0.00 0.00 177.43 175.79 3iq6 n GLU 81 N -3.78 0.76 -0.79 0.81 1.02 -0.60 -4.89 120.64 113.17 3iq6 n GLU 81 Ca -0.02 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 3iq6 n GLU 81 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3iq6 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iq6 n GLY 82 N 1.26 0.62 3.37 0.62 0.00 -0.34 -4.96 105.19 105.76 3iq6 n GLY 82 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3iq6 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iq6 n LYS 83 N -2.74 3.33 0.01 1.61 5.02 -0.84 -4.83 118.16 119.73 3iq6 n LYS 83 Ca 0.00 -3.58 -0.12 0.00 -2.02 0.00 0.00 58.31 52.59 3iq6 n LYS 83 Cb 0.00 -3.16 -0.07 0.00 -0.02 0.00 0.00 35.03 31.78 3iq6 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3iq6 h VAL 84 N 4.72 1.07 -0.45 -0.18 2.07 -1.89 -0.31 116.25 121.28 3iq6 h VAL 84 Ca 0.38 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.73 3iq6 h VAL 84 Cb 0.82 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3iq6 h VAL 84 CO 1.39 0.06 0.23 0.11 0.02 0.00 0.00 177.57 179.38 3iq6 h LYS 85 N -0.02 0.44 0.71 1.57 1.79 -1.98 -0.23 116.57 118.85 3iq6 h LYS 85 Ca 0.01 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3iq6 h LYS 85 Cb 0.08 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3iq6 h LYS 85 CO -0.00 0.29 -0.46 0.93 -1.08 0.00 0.00 179.45 179.13 3iq6 h GLU 86 N 0.45 -1.06 -0.59 3.15 3.07 -1.94 -0.01 114.58 117.65 3iq6 h GLU 86 Ca 0.20 0.07 0.12 0.00 -0.50 0.00 0.00 59.36 59.25 3iq6 h GLU 86 Cb 0.10 0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 28.16 3iq6 h GLU 86 CO -0.14 -0.71 0.06 0.00 -1.40 0.00 0.00 179.01 176.82 3iq6 h ALA 87 N -0.95 0.64 -0.90 3.43 0.00 -0.84 0.12 119.26 120.75 3iq6 h ALA 87 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iq6 h ALA 87 Cb 0.90 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3iq6 h ALA 87 CO 0.08 -0.36 0.50 1.96 0.00 0.00 0.00 179.25 181.42 3iq6 h GLN 88 N 0.18 1.25 -0.73 0.00 4.20 -0.89 -0.12 115.11 118.99 3iq6 h GLN 88 Ca 0.31 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3iq6 h GLN 88 Cb 0.49 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3iq6 h GLN 88 CO -0.46 0.91 0.27 0.00 -0.67 0.00 0.00 178.83 178.88 3iq6 h ALA 89 N 1.27 0.96 -0.03 3.87 0.00 0.88 -0.65 119.26 125.55 3iq6 h ALA 89 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iq6 h ALA 89 Cb 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3iq6 h ALA 89 CO -0.05 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.82 3iq6 h ALA 90 N 1.13 0.04 -0.30 0.00 0.00 -0.14 -2.34 119.26 117.65 3iq6 h ALA 90 Ca 0.24 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.17 3iq6 h ALA 90 Cb 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3iq6 h ALA 90 CO -0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 179.25 178.68 3iq6 h ALA 91 N 0.93 0.11 -0.80 0.00 0.00 -0.74 0.03 119.26 118.79 3iq6 h ALA 91 Ca 0.01 0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.23 3iq6 h ALA 91 Cb 0.08 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 3iq6 h ALA 91 CO -0.00 -0.53 0.09 0.93 0.00 0.00 0.00 179.25 179.74 3iq6 h GLU 92 N -0.09 0.14 0.00 0.00 4.39 -0.84 1.06 114.58 119.24 3iq6 h GLU 92 Ca 0.16 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3iq6 h GLU 92 Cb 0.32 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3iq6 h GLU 92 CO -0.36 0.09 0.00 1.04 -1.16 0.00 0.00 179.01 178.62 3iq6 n GLN 93 N -5.30 0.53 0.08 2.33 6.02 -0.02 -1.62 117.38 119.39 3iq6 n GLN 93 Ca 0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.04 3iq6 n GLN 93 Cb 0.55 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.29 3iq6 n GLN 93 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3iq6 h LEU 94 N 0.00 0.38 -0.88 1.08 3.38 0.14 -3.10 115.31 116.32 3iq6 h LEU 94 Ca 0.00 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.76 3iq6 h LEU 94 Cb 0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 3iq6 h LEU 94 CO 0.00 1.14 0.51 0.11 0.09 0.00 0.00 178.44 180.29 3iq6 h LYS 95 N 0.15 0.78 -1.03 1.13 1.57 -1.35 1.07 116.57 118.89 3iq6 h LYS 95 Ca -0.07 -0.05 0.29 0.00 -1.87 0.00 0.00 60.65 58.95 3iq6 h LYS 95 Cb 1.61 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.68 3iq6 h LYS 95 CO 0.16 0.51 0.72 0.00 -0.57 0.00 0.00 179.45 180.27 3iq6 n THR 97 N -4.33 1.73 0.17 0.00 -1.04 0.33 -3.43 114.28 107.70 3iq6 n THR 97 Ca 0.23 -0.58 -0.14 0.00 -2.04 0.00 0.00 64.05 61.52 3iq6 n THR 97 Cb 1.03 -1.75 -0.07 0.00 -1.82 0.00 0.00 70.33 67.72 3iq6 n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iq6 h ASN 99 N -0.63 0.95 0.15 0.00 -0.26 -1.26 -1.55 115.58 112.97 3iq6 h ASN 99 Ca 0.00 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.77 3iq6 h ASN 99 Cb 0.61 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.65 3iq6 h ASN 99 CO -0.12 0.59 -0.26 0.00 -1.06 0.00 0.00 177.43 176.58 3iq6 h ALA 100 N 1.50 -0.45 -0.03 -0.83 0.00 -1.52 0.24 119.26 118.17 3iq6 h ALA 100 Ca 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3iq6 h ALA 100 Cb 0.26 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iq6 h ALA 100 CO -0.18 -0.80 0.02 0.00 0.00 0.00 0.00 179.25 178.29 3iq6 h HIS 102 N -0.01 -0.73 0.00 0.00 -0.00 -0.98 -0.59 115.15 112.83 3iq6 h HIS 102 Ca 0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3iq6 h HIS 102 Cb 0.05 0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3iq6 h HIS 102 CO -0.06 -0.35 0.01 1.04 -0.00 0.00 0.00 177.93 178.57 3iq6 n GLN 103 N -5.40 0.52 0.00 2.45 3.00 0.05 -2.70 117.38 115.30 3iq6 n GLN 103 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3iq6 n GLN 103 Cb 0.31 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3iq6 n GLN 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3iq6 n LYS 104 N 1.86 0.00 0.00 -1.09 4.81 -0.37 -5.01 118.16 118.36 3iq6 n LYS 104 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3iq6 n LYS 104 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.30 3iq6 n LYS 104 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3iq6 n TYR 105 N -1.63 0.00 0.00 5.64 4.02 -0.39 -5.09 117.16 119.70 3iq6 n TYR 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3iq6 n TYR 105 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72