#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 3.36 0.29 0.00 -4.77 -1.26 -4.99 116.67 109.29 3iq6 s ASP 2 Ca 0.00 -0.71 0.08 0.00 -3.30 0.00 0.00 52.55 48.62 3iq6 s ASP 2 Cb 0.00 -0.26 0.87 0.00 -1.09 0.00 0.00 42.92 42.43 3iq6 s ASP 2 CO 0.00 0.19 1.35 -0.11 0.70 0.00 0.00 175.17 177.30 3iq6 n LEU 3 N 1.01 0.06 -0.05 2.11 0.00 -1.26 -0.48 117.00 118.39 3iq6 n LEU 3 Ca -0.18 1.45 -0.08 0.00 0.00 0.00 0.00 56.01 57.21 3iq6 n LEU 3 Cb 0.53 -0.60 -0.02 0.00 0.00 0.00 0.00 43.42 43.33 3iq6 n LEU 3 CO 0.23 -1.53 0.79 -0.33 0.00 0.00 0.00 177.39 176.56 3iq6 h GLU 4 N 0.00 -0.06 0.13 1.96 4.39 -2.00 -1.57 114.58 117.44 3iq6 h GLU 4 Ca 0.61 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 60.03 3iq6 h GLU 4 Cb 1.43 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.10 3iq6 h GLU 4 CO -0.75 -0.04 -1.24 -0.44 -1.16 0.00 0.00 179.01 175.38 3iq6 h ASP 5 N -0.06 0.50 -0.21 1.42 3.32 -1.19 -2.92 116.42 117.28 3iq6 h ASP 5 Ca 0.12 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 3iq6 h ASP 5 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3iq6 h ASP 5 CO -0.28 1.39 0.05 0.78 -1.72 0.00 0.00 179.24 179.46 3iq6 h ASN 6 N 0.10 0.39 -0.26 6.45 2.35 -1.22 0.81 115.58 124.21 3iq6 h ASN 6 Ca -0.15 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3iq6 h ASN 6 Cb 1.96 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.21 3iq6 h ASN 6 CO 0.21 0.42 0.07 0.24 -1.65 0.00 0.00 177.43 176.72 3iq6 h MET 7 N 0.42 0.41 -0.44 0.81 2.86 -1.29 -0.41 114.93 117.29 3iq6 h MET 7 Ca 0.10 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3iq6 h MET 7 Cb 0.21 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3iq6 h MET 7 CO 0.00 0.50 0.29 0.93 1.06 0.00 0.00 176.91 179.69 3iq6 h GLU 8 N 0.25 0.56 -0.49 1.72 4.39 -1.09 -0.52 114.58 119.40 3iq6 h GLU 8 Ca 0.08 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3iq6 h GLU 8 Cb 0.27 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3iq6 h GLU 8 CO -0.00 0.37 -0.16 1.15 -1.16 0.00 0.00 179.01 179.21 3iq6 h THR 9 N 0.58 1.27 0.18 1.13 2.02 -0.32 -0.62 112.91 117.15 3iq6 h THR 9 Ca 0.17 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 3iq6 h THR 9 Cb -0.03 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3iq6 h THR 9 CO -0.04 0.46 -0.09 -0.07 0.37 0.00 0.00 175.52 176.15 3iq6 h LEU 10 N 0.83 -0.20 -0.63 2.58 4.07 -0.00 -2.87 115.31 119.08 3iq6 h LEU 10 Ca 0.12 -0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.03 3iq6 h LEU 10 Cb 0.73 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 3iq6 h LEU 10 CO 0.06 -0.05 0.38 -1.13 -1.08 0.00 0.00 178.44 176.62 3iq6 h ASN 11 N -0.35 0.62 -0.15 -0.43 -1.24 -1.06 -2.59 115.58 110.38 3iq6 h ASN 11 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3iq6 h ASN 11 Cb 0.27 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3iq6 h ASN 11 CO 0.04 0.43 0.05 0.44 -1.29 0.00 0.00 177.43 177.10 3iq6 h ASP 12 N 0.75 0.22 0.39 1.15 3.32 -1.05 -3.08 116.42 118.12 3iq6 h ASP 12 Ca 0.25 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3iq6 h ASP 12 Cb 0.03 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3iq6 h ASP 12 CO -0.11 0.36 -0.32 0.78 -1.72 0.00 0.00 179.24 178.23 3iq6 h ASN 13 N 0.06 0.00 -1.00 6.45 4.21 -1.49 -2.35 115.58 121.47 3iq6 h ASN 13 Ca 0.05 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.61 3iq6 h ASN 13 Cb 0.22 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.36 3iq6 h ASN 13 CO -0.00 0.32 0.65 0.25 -1.29 0.00 0.00 177.43 177.36 3iq6 h LEU 14 N 0.00 1.06 -0.45 1.61 5.85 -1.37 -0.92 115.31 121.09 3iq6 h LEU 14 Ca -0.00 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3iq6 h LEU 14 Cb 0.61 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3iq6 h LEU 14 CO 0.04 0.70 -0.04 0.11 -0.34 0.00 0.00 178.44 178.91 3iq6 h LYS 15 N 1.21 0.82 -0.59 1.25 1.57 -1.43 -2.55 116.57 116.86 3iq6 h LYS 15 Ca 0.41 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 3iq6 h LYS 15 Cb 0.09 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 3iq6 h LYS 15 CO -0.15 0.90 0.25 0.28 -0.57 0.00 0.00 179.45 180.16 3iq6 h VAL 16 N 0.66 0.83 -0.59 0.50 2.07 -0.93 -1.87 116.25 116.92 3iq6 h VAL 16 Ca 0.12 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3iq6 h VAL 16 Cb 0.56 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3iq6 h VAL 16 CO 0.03 0.08 0.37 0.40 0.02 0.00 0.00 177.57 178.47 3iq6 h ILE 17 N 0.45 1.17 -0.04 4.57 2.04 -1.04 0.54 117.51 125.19 3iq6 h ILE 17 Ca 0.29 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3iq6 h ILE 17 Cb 0.31 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3iq6 h ILE 17 CO -0.26 0.17 0.01 -0.33 0.00 0.00 0.00 178.15 177.74 3iq6 h GLU 18 N 0.80 0.06 -0.02 2.37 5.08 -0.96 -2.70 114.58 119.21 3iq6 h GLU 18 Ca 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3iq6 h GLU 18 Cb -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3iq6 h GLU 18 CO -0.04 0.05 -0.21 1.63 -1.00 0.00 0.00 179.01 179.44 3iq6 n LYS 19 N -4.52 1.58 -1.14 2.33 5.02 -0.67 -5.04 118.16 115.72 3iq6 n LYS 19 Ca -0.02 -1.17 -0.36 0.00 -2.02 0.00 0.00 58.31 54.74 3iq6 n LYS 19 Cb 0.10 -1.33 0.07 0.00 -0.02 0.00 0.00 35.03 33.85 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 0.38 -2.25 -0.03 7.82 0.00 0.18 -4.95 120.51 121.67 3iq6 n ALA 20 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 3iq6 n ALA 20 Cb 0.41 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 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 0.11 3.33 -4.11 0.00 8.00 -1.26 -5.06 116.55 117.56 3iq6 n ASP 21 Ca 0.08 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 3iq6 n ASP 21 Cb 0.51 0.77 -0.10 0.00 -0.02 0.00 0.00 41.12 42.28 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 -3.69 0.52 0.28 -2.24 2.20 -1.26 -5.05 114.94 105.71 3iq6 s ASN 22 Ca -0.03 -1.05 0.02 0.00 -0.94 0.00 0.00 52.86 50.85 3iq6 s ASN 22 Cb 0.02 0.21 0.59 0.00 -2.00 0.00 0.00 41.25 40.08 3iq6 s ASN 22 CO 0.28 -0.62 1.79 0.00 -2.94 0.00 0.00 177.10 175.62 3iq6 h ALA 23 N 3.06 1.46 -0.74 3.54 0.00 -1.90 -2.41 119.26 122.27 3iq6 h ALA 23 Ca -0.34 0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.79 3iq6 h ALA 23 Cb 1.16 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 3iq6 h ALA 23 CO 0.64 0.02 0.18 0.00 0.00 0.00 0.00 179.25 180.10 3iq6 h ALA 24 N 1.57 0.96 -0.54 0.00 0.00 -1.97 0.17 119.26 119.45 3iq6 h ALA 24 Ca 0.51 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.50 3iq6 h ALA 24 Cb 0.67 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3iq6 h ALA 24 CO -0.33 -0.34 0.01 1.96 0.00 0.00 0.00 179.25 180.55 3iq6 h GLN 25 N 0.27 0.95 0.31 0.00 4.20 -1.86 -1.43 115.11 117.55 3iq6 h GLN 25 Ca 0.42 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3iq6 h GLN 25 Cb 0.71 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3iq6 h GLN 25 CO -0.51 0.96 -0.15 0.28 -0.67 0.00 0.00 178.83 178.74 3iq6 h VAL 26 N 0.83 0.72 -0.16 -0.54 2.07 -1.07 -1.65 116.25 116.45 3iq6 h VAL 26 Ca 0.16 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3iq6 h VAL 26 Cb 0.52 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3iq6 h VAL 26 CO 0.03 0.05 -0.50 0.11 0.02 0.00 0.00 177.57 177.27 3iq6 h LYS 27 N -0.53 -0.52 -0.75 1.57 1.57 -0.70 -0.14 116.57 117.07 3iq6 h LYS 27 Ca -0.04 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 3iq6 h LYS 27 Cb 0.39 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3iq6 h LYS 27 CO 0.07 -0.35 0.34 0.22 -0.57 0.00 0.00 179.45 179.16 3iq6 h ASP 28 N -0.54 0.37 -0.36 0.86 1.82 -1.23 0.36 116.42 117.70 3iq6 h ASP 28 Ca 0.05 0.09 -0.15 0.00 -0.39 0.00 0.00 57.03 56.64 3iq6 h ASP 28 Cb 0.66 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 3iq6 h ASP 28 CO -0.44 0.17 -0.33 0.00 -1.61 0.00 0.00 179.24 177.03 3iq6 h ALA 29 N 1.51 0.66 -0.38 -0.78 0.00 -0.65 -1.96 119.26 117.66 3iq6 h ALA 29 Ca 0.40 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3iq6 h ALA 29 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3iq6 h ALA 29 CO -0.36 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.33 3iq6 h LEU 30 N 0.75 0.70 -0.39 0.00 3.38 -0.37 -0.62 115.31 118.76 3iq6 h LEU 30 Ca 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3iq6 h LEU 30 Cb 0.91 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3iq6 h LEU 30 CO 0.08 0.88 0.21 0.74 0.09 0.00 0.00 178.44 180.44 3iq6 h THR 31 N 0.63 1.15 -0.42 0.22 2.02 -0.78 0.35 112.91 116.07 3iq6 h THR 31 Ca 0.10 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3iq6 h THR 31 Cb 0.63 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3iq6 h THR 31 CO 0.04 0.16 0.10 0.11 0.37 0.00 0.00 175.52 176.30 3iq6 h LYS 32 N 0.50 0.63 -0.35 6.66 1.57 -0.89 -1.67 116.57 123.01 3iq6 h LYS 32 Ca 0.14 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3iq6 h LYS 32 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3iq6 h LYS 32 CO -0.02 0.58 -0.32 0.52 -0.57 0.00 0.00 179.45 179.64 3iq6 h MET 33 N 0.61 0.84 0.09 3.15 2.86 -0.30 -2.01 114.93 120.17 3iq6 h MET 33 Ca 0.14 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3iq6 h MET 33 Cb 0.24 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3iq6 h MET 33 CO -0.00 1.07 -0.10 0.00 1.06 0.00 0.00 176.91 178.93 3iq6 h ALA 34 N 0.75 -0.19 -0.65 6.32 0.00 0.22 -0.00 119.26 125.72 3iq6 h ALA 34 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3iq6 h ALA 34 Cb 0.90 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3iq6 h ALA 34 CO 0.08 -0.62 0.33 0.00 0.00 0.00 0.00 179.25 179.04 3iq6 h ALA 35 N 0.68 0.86 -0.59 0.00 0.00 -1.30 -0.67 119.26 118.24 3iq6 h ALA 35 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3iq6 h ALA 35 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iq6 h ALA 35 CO -0.04 -0.03 0.04 0.00 0.00 0.00 0.00 179.25 179.22 3iq6 h ALA 36 N 1.37 0.94 -0.17 0.00 0.00 -1.00 -2.35 119.26 118.04 3iq6 h ALA 36 Ca 0.30 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3iq6 h ALA 36 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iq6 h ALA 36 CO -0.22 0.64 -0.39 0.00 0.00 0.00 0.00 179.25 179.28 3iq6 h ALA 37 N 1.10 1.01 -0.21 0.00 0.00 -0.25 -1.32 119.26 119.58 3iq6 h ALA 37 Ca 0.18 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3iq6 h ALA 37 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iq6 h ALA 37 CO 0.02 0.61 -0.62 0.00 0.00 0.00 0.00 179.25 179.26 3iq6 h ALA 38 N 1.26 0.51 0.00 0.00 0.00 -0.98 -3.15 119.26 116.89 3iq6 h ALA 38 Ca 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3iq6 h ALA 38 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3iq6 h ALA 38 CO 0.07 0.69 -0.42 0.22 0.00 0.00 0.00 179.25 179.81 3iq6 h ASP 39 N 0.54 0.00 -0.11 0.00 3.58 -1.32 -2.85 116.42 116.27 3iq6 h ASP 39 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3iq6 h ASP 39 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3iq6 h ASP 39 CO 0.13 0.42 0.00 0.00 -2.88 0.00 0.00 179.24 176.91 3iq6 n ALA 40 N -2.27 2.54 -0.05 -0.78 0.00 -0.51 -4.17 120.51 115.28 3iq6 n ALA 40 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 3iq6 n ALA 40 Cb 0.59 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.12 0.29 -0.46 0.00 7.01 -1.47 -3.20 115.95 119.24 3iq6 h TRP 41 Ca 0.00 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.90 3iq6 h TRP 41 Cb 0.25 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 3iq6 h TRP 41 CO 0.07 0.46 0.07 -1.13 -2.79 0.00 0.00 178.44 175.11 3iq6 n SER 42 N -4.77 4.35 -4.86 2.65 3.41 -1.26 -4.82 113.62 108.31 3iq6 n SER 42 Ca -0.05 -2.75 -0.31 0.00 -0.26 0.00 0.00 58.87 55.50 3iq6 n SER 42 Cb 0.19 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 3iq6 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iq6 s ALA 43 N -2.31 3.32 -0.22 7.33 0.00 -1.21 -5.06 121.76 123.61 3iq6 s ALA 43 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 3iq6 s ALA 43 Cb 0.31 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3iq6 s ALA 43 CO 0.11 0.10 -0.02 0.99 0.00 0.00 0.00 175.76 176.94 3iq6 s THR 44 N -2.25 3.59 0.60 0.00 2.01 -1.26 -5.02 115.64 113.31 3iq6 s THR 44 Ca 0.53 -0.42 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 3iq6 s THR 44 Cb -0.10 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3iq6 s THR 44 CO 0.26 0.41 1.06 -2.16 -0.69 0.00 0.00 174.62 173.51 3iq6 s PRO 45 N 1.43 3.28 0.13 4.92 0.04 -1.26 -4.89 135.00 138.65 3iq6 s PRO 45 Ca 0.05 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.08 3iq6 s PRO 45 Cb -0.14 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 3iq6 s PRO 45 CO -0.01 -0.85 1.65 -1.35 0.04 0.00 0.00 177.00 176.48 3iq6 h PRO 46 N 0.41 -0.26 0.00 0.56 0.11 -2.00 -1.12 132.00 129.71 3iq6 h PRO 46 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iq6 h PRO 46 Cb 1.22 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iq6 h PRO 46 CO 0.57 -0.17 0.06 0.87 -0.21 0.00 0.00 178.00 179.12 3iq6 h LYS 47 N -0.27 0.00 -0.01 1.05 1.79 -1.94 0.04 116.57 117.24 3iq6 h LYS 47 Ca 0.10 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3iq6 h LYS 47 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3iq6 h LYS 47 CO -0.27 0.00 -0.11 1.28 -1.08 0.00 0.00 179.45 179.27 3iq6 n LEU 48 N -2.38 2.47 -0.32 2.94 4.77 -0.51 -4.70 117.00 119.27 3iq6 n LEU 48 Ca -0.02 -3.27 0.02 0.00 -0.03 0.00 0.00 56.01 52.72 3iq6 n LEU 48 Cb 0.10 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 40.94 3iq6 n LEU 48 CO 0.11 0.86 1.26 -0.33 -1.33 0.00 0.00 177.39 177.96 3iq6 h GLU 49 N 0.26 1.08 -0.19 3.23 4.39 -0.09 -2.56 114.58 120.70 3iq6 h GLU 49 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3iq6 h GLU 49 Cb 1.01 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3iq6 h GLU 49 CO 0.01 0.72 0.00 -0.40 -1.16 0.00 0.00 179.01 178.17 3iq6 n ASP 50 N -4.46 1.67 -4.94 1.42 5.68 -1.26 -4.93 116.55 109.73 3iq6 n ASP 50 Ca 0.13 -1.74 -0.25 0.00 -0.50 0.00 0.00 54.79 52.43 3iq6 n ASP 50 Cb 0.14 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 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 -1.76 3.51 0.49 0.11 -0.14 -0.97 -5.09 119.74 115.89 3iq6 s LYS 51 Ca 0.31 -0.36 -0.20 0.00 -1.36 0.00 0.00 55.97 54.36 3iq6 s LYS 51 Cb 0.17 -2.76 -0.08 0.00 -1.68 0.00 0.00 37.83 33.47 3iq6 s LYS 51 CO 0.25 0.29 1.03 0.45 -0.76 0.00 0.00 175.35 176.61 3iq6 s SER 52 N -3.61 6.37 0.58 2.83 0.15 -1.26 -4.93 113.70 113.83 3iq6 s SER 52 Ca 0.39 1.89 0.34 0.00 0.70 0.00 0.00 55.95 59.27 3iq6 s SER 52 Cb -0.10 -2.56 1.78 0.00 -1.71 0.00 0.00 66.02 63.44 3iq6 s SER 52 CO 0.32 -0.76 2.18 -0.65 1.20 0.00 0.00 173.24 175.52 3iq6 h PRO 53 N 1.51 0.00 -0.67 5.44 0.11 -1.98 0.13 132.00 136.54 3iq6 h PRO 53 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iq6 h PRO 53 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iq6 h PRO 53 CO 0.59 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 3iq6 n ASP 54 N -3.44 4.84 -4.77 -2.05 10.43 -1.26 -4.71 116.55 115.59 3iq6 n ASP 54 Ca -0.02 -2.44 -0.38 0.00 2.57 0.00 0.00 54.79 54.51 3iq6 n ASP 54 Cb 0.17 -0.59 -0.02 0.00 1.84 0.00 0.00 41.12 42.52 3iq6 n ASP 54 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3iq6 s SER 55 N -0.90 6.57 0.41 -2.24 0.15 0.44 -4.91 113.70 113.23 3iq6 s SER 55 Ca 0.52 2.36 0.07 0.00 0.70 0.00 0.00 55.95 59.61 3iq6 s SER 55 Cb 0.34 -2.62 0.85 0.00 -1.71 0.00 0.00 66.02 62.88 3iq6 s SER 55 CO 0.25 -0.64 2.06 1.55 1.20 0.00 0.00 173.24 177.66 3iq6 h PRO 56 N 2.74 0.54 -0.12 5.44 0.13 -1.94 -0.81 132.00 137.99 3iq6 h PRO 56 Ca -0.49 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.47 3iq6 h PRO 56 Cb 1.23 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3iq6 h PRO 56 CO 0.63 0.36 -0.55 0.93 -0.23 0.00 0.00 178.00 179.14 3iq6 h GLU 57 N 0.56 0.34 0.01 0.86 3.07 -1.92 -2.42 114.58 115.07 3iq6 h GLU 57 Ca 0.15 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3iq6 h GLU 57 Cb -0.06 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3iq6 h GLU 57 CO -0.03 0.80 -0.01 1.98 -1.40 0.00 0.00 179.01 180.35 3iq6 h MET 58 N 0.26 -0.02 -0.99 2.33 4.05 -1.47 -0.50 114.93 118.59 3iq6 h MET 58 Ca 0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 3iq6 h MET 58 Cb 1.04 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.79 3iq6 h MET 58 CO 0.09 0.36 0.65 0.45 0.23 0.00 0.00 176.91 178.69 3iq6 h HIS 59 N -0.39 1.20 -0.08 1.39 3.86 -1.21 0.15 115.15 120.07 3iq6 h HIS 59 Ca -0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 3iq6 h HIS 59 Cb 0.38 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3iq6 h HIS 59 CO 0.05 0.67 -0.28 0.22 0.86 0.00 0.00 177.93 179.45 3iq6 h ASP 60 N 1.22 0.13 0.27 2.45 3.58 -1.34 0.51 116.42 123.23 3iq6 h ASP 60 Ca 0.41 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 3iq6 h ASP 60 Cb 0.07 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3iq6 h ASP 60 CO -0.14 0.42 -0.13 0.15 -2.88 0.00 0.00 179.24 176.66 3iq6 h PHE 61 N 0.12 -0.33 -0.85 0.28 3.57 0.83 -1.55 116.94 119.01 3iq6 h PHE 61 Ca 0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3iq6 h PHE 61 Cb 0.56 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3iq6 h PHE 61 CO 0.01 0.01 0.52 0.00 -2.23 0.00 0.00 178.31 176.62 3iq6 h ARG 62 N -0.73 1.16 -0.89 1.11 3.08 -0.61 -2.17 114.38 115.33 3iq6 h ARG 62 Ca -0.04 -0.10 0.14 0.00 0.07 0.00 0.00 59.98 60.05 3iq6 h ARG 62 Cb 0.49 -0.24 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 3iq6 h ARG 62 CO 0.06 0.81 0.49 1.25 -1.07 0.00 0.00 179.97 181.51 3iq6 h HIS 63 N 1.17 0.88 -0.42 3.04 2.76 0.14 0.16 115.15 122.88 3iq6 h HIS 63 Ca 0.31 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.61 3iq6 h HIS 63 Cb -0.06 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 3iq6 h HIS 63 CO -0.00 0.25 0.29 0.78 -1.30 0.00 0.00 177.93 177.95 3iq6 h GLY 64 N 0.72 0.18 1.56 5.26 0.00 -0.60 -0.83 103.07 109.36 3iq6 h GLY 64 Ca 0.47 -0.05 -0.24 0.00 0.00 0.00 0.00 47.33 47.51 3iq6 h GLY 64 CO -0.33 0.03 -1.02 0.74 0.00 0.00 0.00 176.54 175.96 3iq6 h PHE 65 N 0.13 0.59 -0.55 5.60 0.05 -0.71 -2.16 116.94 119.89 3iq6 h PHE 65 Ca 0.20 -0.35 -0.01 0.00 3.82 0.00 0.00 57.97 61.63 3iq6 h PHE 65 Cb 0.61 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 38.48 3iq6 h PHE 65 CO -0.00 1.19 0.31 -1.49 -0.18 0.00 0.00 178.31 178.14 3iq6 h TRP 66 N 0.19 0.73 -0.09 -0.55 4.06 -0.74 0.79 115.95 120.34 3iq6 h TRP 66 Ca -0.10 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 3iq6 h TRP 66 Cb 1.68 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 29.59 3iq6 h TRP 66 CO 0.06 0.50 -0.00 0.82 -3.56 0.00 0.00 178.44 176.26 3iq6 h ILE 67 N 0.76 1.25 -0.51 1.49 1.08 -1.21 -1.69 117.51 118.69 3iq6 h ILE 67 Ca 0.20 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.83 3iq6 h ILE 67 Cb -0.00 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 3iq6 h ILE 67 CO -0.03 0.23 0.16 0.25 -0.69 0.00 0.00 178.15 178.06 3iq6 h LEU 68 N -0.11 0.74 -1.30 1.44 5.85 -0.66 -1.70 115.31 119.56 3iq6 h LEU 68 Ca 0.03 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3iq6 h LEU 68 Cb 0.35 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3iq6 h LEU 68 CO 0.00 0.75 0.35 0.40 -0.34 0.00 0.00 178.44 179.60 3iq6 h ILE 69 N 0.69 1.18 -0.39 4.05 2.04 0.59 0.01 117.51 125.68 3iq6 h ILE 69 Ca 0.16 -0.42 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 3iq6 h ILE 69 Cb 0.28 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3iq6 h ILE 69 CO -0.00 0.19 -0.29 1.23 0.00 0.00 0.00 178.15 179.27 3iq6 h GLY 70 N 0.89 0.96 1.74 5.37 0.00 -0.93 -1.69 103.07 109.41 3iq6 h GLY 70 Ca 0.22 -0.93 -0.13 0.00 0.00 0.00 0.00 47.33 46.48 3iq6 h GLY 70 CO -0.04 0.85 -0.52 1.46 0.00 0.00 0.00 176.54 178.28 3iq6 h GLN 71 N 0.69 0.28 -0.22 4.80 4.20 -0.76 -1.06 115.11 123.04 3iq6 h GLN 71 Ca 0.07 -0.17 -0.19 0.00 0.06 0.00 0.00 58.65 58.42 3iq6 h GLN 71 Cb 0.88 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3iq6 h GLN 71 CO 0.08 0.74 -0.63 0.82 -0.67 0.00 0.00 178.83 179.17 3iq6 h ILE 72 N 0.22 1.29 0.29 2.54 2.04 -0.97 -0.50 117.51 122.41 3iq6 h ILE 72 Ca 0.01 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.03 3iq6 h ILE 72 Cb 1.00 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3iq6 h ILE 72 CO 0.08 0.59 -0.22 -0.74 0.00 0.00 0.00 178.15 177.86 3iq6 h HIS 73 N 0.58 -0.59 -0.69 1.37 2.76 -1.06 0.66 115.15 118.19 3iq6 h HIS 73 Ca -0.01 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3iq6 h HIS 73 Cb 1.23 0.22 -0.03 0.00 1.55 0.00 0.00 27.41 30.38 3iq6 h HIS 73 CO 0.07 -0.34 0.43 0.22 -1.30 0.00 0.00 177.93 177.01 3iq6 h ASP 74 N -0.52 0.82 -0.85 3.26 -0.00 -1.14 -1.60 116.42 116.38 3iq6 h ASP 74 Ca -0.02 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 56.94 3iq6 h ASP 74 Cb 0.46 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.33 39.54 3iq6 h ASP 74 CO -0.01 0.62 0.42 0.00 -0.00 0.00 0.00 179.24 180.26 3iq6 h ALA 75 N 1.52 1.10 -0.41 -0.78 0.00 -0.63 -2.87 119.26 117.19 3iq6 h ALA 75 Ca 0.25 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3iq6 h ALA 75 Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3iq6 h ALA 75 CO -0.05 0.66 0.21 1.25 0.00 0.00 0.00 179.25 181.32 3iq6 h LEU 76 N 1.21 0.31 -0.76 0.00 6.46 0.13 -2.28 115.31 120.38 3iq6 h LEU 76 Ca 0.29 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.16 3iq6 h LEU 76 Cb 0.11 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 39.93 3iq6 h LEU 76 CO -0.04 0.22 0.41 0.45 -0.62 0.00 0.00 178.44 178.87 3iq6 h HIS 77 N 0.43 0.75 -0.35 1.25 3.86 -1.28 0.19 115.15 120.00 3iq6 h HIS 77 Ca 0.18 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 3iq6 h HIS 77 Cb 0.08 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 3iq6 h HIS 77 CO -0.10 0.31 0.12 -0.07 0.86 0.00 0.00 177.93 179.05 3iq6 h LEU 78 N 0.71 0.13 -0.85 2.43 3.38 -1.30 -0.55 115.31 119.27 3iq6 h LEU 78 Ca 0.36 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 3iq6 h LEU 78 Cb 0.33 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3iq6 h LEU 78 CO -0.24 0.11 0.19 0.00 0.09 0.00 0.00 178.44 178.59 3iq6 h ALA 79 N 1.23 1.06 0.00 1.53 0.00 -0.81 -1.60 119.26 120.67 3iq6 h ALA 79 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3iq6 h ALA 79 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3iq6 h ALA 79 CO -0.16 0.63 -0.19 -0.91 0.00 0.00 0.00 179.25 178.62 3iq6 h ASN 80 N 1.01 0.00 -0.14 0.00 -0.26 0.28 -0.47 115.58 116.00 3iq6 h ASN 80 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3iq6 h ASN 80 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3iq6 h ASN 80 CO -0.00 0.19 0.00 -0.62 -1.06 0.00 0.00 177.43 175.93 3iq6 n GLU 81 N -4.13 1.33 -0.72 0.81 1.02 -0.30 -4.86 120.64 113.79 3iq6 n GLU 81 Ca -0.02 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 3iq6 n GLU 81 Cb 0.26 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.70 0.78 3.58 0.62 0.00 -0.19 -4.92 105.19 105.77 3iq6 n GLY 82 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3iq6 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iq6 s LYS 83 N -0.32 3.44 0.06 1.61 1.02 -0.66 -4.81 119.74 120.07 3iq6 s LYS 83 Ca 0.00 -1.66 -0.27 0.00 0.02 0.00 0.00 55.97 54.07 3iq6 s LYS 83 Cb 0.00 -5.42 -0.17 0.00 -0.52 0.00 0.00 37.83 31.72 3iq6 s LYS 83 CO 0.00 -2.88 1.56 0.28 -0.92 0.00 0.00 175.35 173.39 3iq6 h VAL 84 N 5.84 0.78 -0.95 3.17 2.07 -1.88 -2.12 116.25 123.16 3iq6 h VAL 84 Ca 0.36 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3iq6 h VAL 84 Cb 0.90 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3iq6 h VAL 84 CO 1.37 0.05 0.57 0.11 0.02 0.00 0.00 177.57 179.70 3iq6 h LYS 85 N -0.47 1.28 -0.28 1.57 1.57 -1.97 -0.93 116.57 117.35 3iq6 h LYS 85 Ca -0.04 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3iq6 h LYS 85 Cb 0.35 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3iq6 h LYS 85 CO 0.06 0.90 -0.07 1.05 -0.57 0.00 0.00 179.45 180.81 3iq6 h GLU 86 N 1.30 0.55 -0.88 3.15 9.09 -1.96 -2.24 114.58 123.59 3iq6 h GLU 86 Ca 0.34 -0.21 0.06 0.00 0.05 0.00 0.00 59.36 59.60 3iq6 h GLU 86 Cb -0.06 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 26.96 3iq6 h GLU 86 CO -0.06 0.75 0.58 0.00 0.05 0.00 0.00 179.01 180.32 3iq6 h ALA 87 N 0.78 1.53 -0.16 1.06 0.00 -1.10 0.10 119.26 121.47 3iq6 h ALA 87 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3iq6 h ALA 87 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3iq6 h ALA 87 CO 0.03 0.35 -0.15 1.96 0.00 0.00 0.00 179.25 181.43 3iq6 h GLN 88 N 1.01 0.26 -0.25 0.00 4.20 -0.93 -1.04 115.11 118.36 3iq6 h GLN 88 Ca 0.38 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.90 3iq6 h GLN 88 Cb 0.18 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3iq6 h GLN 88 CO -0.14 0.42 -0.31 0.00 -0.67 0.00 0.00 178.83 178.14 3iq6 h ALA 89 N 1.60 0.38 -0.31 3.87 0.00 -0.26 -1.88 119.26 122.65 3iq6 h ALA 89 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3iq6 h ALA 89 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3iq6 h ALA 89 CO 0.03 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.74 3iq6 h ALA 90 N 0.67 1.52 -0.75 0.00 0.00 -0.66 -0.91 119.26 119.12 3iq6 h ALA 90 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iq6 h ALA 90 Cb 0.88 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3iq6 h ALA 90 CO 0.07 0.35 0.41 0.00 0.00 0.00 0.00 179.25 180.09 3iq6 h ALA 91 N 1.62 0.97 0.48 0.00 0.00 -0.88 -1.37 119.26 120.07 3iq6 h ALA 91 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3iq6 h ALA 91 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iq6 h ALA 91 CO -0.00 0.48 -0.23 0.93 0.00 0.00 0.00 179.25 180.43 3iq6 h GLU 92 N 1.04 -0.62 -0.76 0.00 4.39 -0.39 -3.08 114.58 115.16 3iq6 h GLU 92 Ca 0.26 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.13 3iq6 h GLU 92 Cb 0.04 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 3iq6 h GLU 92 CO -0.04 -0.36 0.50 1.96 -1.16 0.00 0.00 179.01 179.90 3iq6 h GLN 93 N -0.75 0.52 0.00 2.33 4.20 -1.13 -0.53 115.11 119.74 3iq6 h GLN 93 Ca -0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3iq6 h GLN 93 Cb 0.55 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3iq6 h GLN 93 CO 0.11 0.34 0.00 1.47 -0.67 0.00 0.00 178.83 180.08 3iq6 n LEU 94 N -4.50 0.00 0.09 1.46 -0.00 -0.53 -0.91 117.00 112.61 3iq6 n LEU 94 Ca 0.14 0.33 -0.08 0.00 -0.00 0.00 0.00 56.01 56.40 3iq6 n LEU 94 Cb 0.44 -0.33 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 3iq6 n LEU 94 CO 0.32 -0.25 0.21 0.11 -0.00 0.00 0.00 177.39 177.78 3iq6 h LYS 95 N 0.00 0.14 -0.71 1.47 1.57 -1.18 -2.63 116.57 115.23 3iq6 h LYS 95 Ca 0.00 -0.17 0.17 0.00 -1.87 0.00 0.00 60.65 58.78 3iq6 h LYS 95 Cb 0.08 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3iq6 h LYS 95 CO 0.00 0.96 0.49 0.00 -0.57 0.00 0.00 179.45 180.33 3iq6 h THR 97 N 0.23 1.34 0.37 0.00 2.02 -1.59 -2.50 112.91 112.79 3iq6 h THR 97 Ca 0.35 -2.14 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 3iq6 h THR 97 Cb 1.02 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 3iq6 h THR 97 CO -0.07 0.65 -0.35 0.00 0.37 0.00 0.00 175.52 176.12 3iq6 h ASN 99 N -0.71 0.41 -0.76 0.00 -0.26 -1.30 -1.11 115.58 111.85 3iq6 h ASN 99 Ca -0.05 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3iq6 h ASN 99 Cb 0.61 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.79 3iq6 h ASN 99 CO -0.03 0.19 0.30 0.00 -1.06 0.00 0.00 177.43 176.83 3iq6 h ALA 100 N 1.62 0.99 0.00 -0.83 0.00 -1.13 -1.21 119.26 118.70 3iq6 h ALA 100 Ca 0.43 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 3iq6 h ALA 100 Cb 1.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3iq6 h ALA 100 CO -0.15 0.61 -1.09 0.00 0.00 0.00 0.00 179.25 178.62 3iq6 h HIS 102 N 0.00 0.82 0.00 0.00 -0.00 -1.24 -0.11 115.15 114.63 3iq6 h HIS 102 Ca -0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3iq6 h HIS 102 Cb 1.80 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 29.03 3iq6 h HIS 102 CO 0.00 0.95 0.00 1.04 -0.00 0.00 0.00 177.93 179.92 3iq6 n GLN 103 N -4.06 0.03 0.00 2.45 1.13 -0.47 -2.24 117.38 114.22 3iq6 n GLN 103 Ca -0.01 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3iq6 n GLN 103 Cb 0.50 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.35 3iq6 n GLN 103 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3iq6 n LYS 104 N -1.24 0.00 0.00 -1.09 2.85 -1.04 -4.96 118.16 112.69 3iq6 n LYS 104 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3iq6 n LYS 104 Cb 0.01 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.28 3iq6 n LYS 104 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3iq6 n TYR 105 N 0.00 0.00 1.69 5.58 4.02 -0.08 -5.05 117.16 123.32 3iq6 n TYR 105 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 3iq6 n TYR 105 Cb 0.06 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.07 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72