#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq5 s ASP 2 N 0.00 5.05 0.13 0.00 2.15 -1.26 -4.85 116.67 117.89 3iq5 s ASP 2 Ca 0.00 1.20 -0.22 0.00 0.43 0.00 0.00 52.55 53.95 3iq5 s ASP 2 Cb 0.00 -1.96 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 3iq5 s ASP 2 CO 0.00 -1.60 1.67 0.25 -0.17 0.00 0.00 175.17 175.32 3iq5 h LEU 3 N -0.83 -0.44 -1.19 -1.34 6.46 -1.96 -1.24 115.31 114.76 3iq5 h LEU 3 Ca -0.46 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 57.50 3iq5 h LEU 3 Cb 1.26 0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 41.33 3iq5 h LEU 3 CO 0.62 -0.19 0.59 -0.33 -0.62 0.00 0.00 178.44 178.51 3iq5 h GLU 4 N -0.18 0.80 -0.25 1.25 3.07 -1.99 0.12 114.58 117.40 3iq5 h GLU 4 Ca 0.08 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3iq5 h GLU 4 Cb 0.31 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3iq5 h GLU 4 CO -0.22 0.53 0.02 -0.44 -1.40 0.00 0.00 179.01 177.51 3iq5 h ASP 5 N 0.83 0.42 -0.57 1.42 3.32 -1.72 -1.20 116.42 118.92 3iq5 h ASP 5 Ca 0.45 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3iq5 h ASP 5 Cb 0.56 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3iq5 h ASP 5 CO -0.21 0.60 0.09 0.78 -1.72 0.00 0.00 179.24 178.78 3iq5 h ASN 6 N 0.23 0.91 -0.67 6.45 2.35 -0.32 -0.92 115.58 123.61 3iq5 h ASN 6 Ca 0.07 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3iq5 h ASN 6 Cb 0.37 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3iq5 h ASN 6 CO 0.01 0.94 0.43 0.24 -1.65 0.00 0.00 177.43 177.39 3iq5 h MET 7 N 0.84 0.82 -0.53 0.81 2.86 -0.66 0.26 114.93 119.33 3iq5 h MET 7 Ca 0.17 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3iq5 h MET 7 Cb 0.41 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3iq5 h MET 7 CO 0.01 0.54 0.01 0.93 1.06 0.00 0.00 176.91 179.46 3iq5 h GLU 8 N 0.84 0.89 -0.30 1.72 4.39 -1.01 0.43 114.58 121.54 3iq5 h GLU 8 Ca 0.27 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3iq5 h GLU 8 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3iq5 h GLU 8 CO -0.09 0.88 0.15 1.15 -1.16 0.00 0.00 179.01 179.94 3iq5 h THR 9 N 0.83 1.15 -0.20 1.13 2.02 0.18 0.19 112.91 118.21 3iq5 h THR 9 Ca 0.16 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3iq5 h THR 9 Cb 0.48 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3iq5 h THR 9 CO 0.02 0.15 0.05 -0.07 0.37 0.00 0.00 175.52 176.04 3iq5 h LEU 10 N 0.35 0.03 0.38 2.58 4.07 -0.11 -2.07 115.31 120.54 3iq5 h LEU 10 Ca 0.10 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3iq5 h LEU 10 Cb 0.10 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 3iq5 h LEU 10 CO -0.01 0.04 -0.33 -1.13 -1.08 0.00 0.00 178.44 175.93 3iq5 h ASN 11 N 0.13 -0.88 0.10 -0.43 -0.00 -0.62 -1.40 115.58 112.48 3iq5 h ASN 11 Ca 0.09 0.07 0.02 0.00 -0.00 0.00 0.00 56.30 56.48 3iq5 h ASN 11 Cb 0.08 0.29 -0.04 0.00 -0.00 0.00 0.00 38.32 38.64 3iq5 h ASN 11 CO -0.11 -0.48 -0.38 0.44 -0.00 0.00 0.00 177.43 176.90 3iq5 h ASP 12 N -0.72 -1.11 0.15 1.15 3.45 -0.43 -1.99 116.42 116.93 3iq5 h ASP 12 Ca -0.03 0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 3iq5 h ASP 12 Cb 0.64 0.42 -0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3iq5 h ASP 12 CO -0.03 -0.45 -0.10 0.78 -1.57 0.00 0.00 179.24 177.86 3iq5 h ASN 13 N -0.60 0.00 -0.48 6.45 -0.26 -1.39 -1.27 115.58 118.03 3iq5 h ASN 13 Ca 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3iq5 h ASN 13 Cb 0.64 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 3iq5 h ASN 13 CO -0.23 0.10 0.25 0.25 -1.06 0.00 0.00 177.43 176.74 3iq5 h LEU 14 N 0.00 0.61 -0.75 1.61 5.85 -0.52 -1.13 115.31 120.97 3iq5 h LEU 14 Ca -0.00 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3iq5 h LEU 14 Cb 0.20 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3iq5 h LEU 14 CO 0.01 0.54 0.21 0.11 -0.34 0.00 0.00 178.44 178.97 3iq5 h LYS 15 N 0.63 1.15 -0.29 1.25 1.79 -0.78 -2.29 116.57 118.03 3iq5 h LYS 15 Ca 0.17 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3iq5 h LYS 15 Cb 0.08 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 3iq5 h LYS 15 CO -0.02 0.99 0.12 0.28 -1.08 0.00 0.00 179.45 179.74 3iq5 h VAL 16 N 1.10 0.96 -0.22 0.50 2.07 -0.78 -2.85 116.25 117.03 3iq5 h VAL 16 Ca 0.23 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3iq5 h VAL 16 Cb 0.33 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3iq5 h VAL 16 CO -0.00 0.05 -0.09 0.40 0.02 0.00 0.00 177.57 177.94 3iq5 h ILE 17 N 0.26 0.69 -0.33 4.57 2.04 -0.84 0.37 117.51 124.27 3iq5 h ILE 17 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 3iq5 h ILE 17 Cb 0.07 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3iq5 h ILE 17 CO -0.11 0.00 0.31 -0.33 0.00 0.00 0.00 178.15 178.02 3iq5 h GLU 18 N -0.06 0.00 0.00 2.37 5.08 -1.20 -2.94 114.58 117.83 3iq5 h GLU 18 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 3iq5 h GLU 18 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3iq5 h GLU 18 CO -0.26 0.00 -1.97 1.63 -1.00 0.00 0.00 179.01 177.41 3iq5 n LYS 19 N -3.99 1.33 -1.39 2.33 5.02 -0.73 -5.01 118.16 115.71 3iq5 n LYS 19 Ca 0.05 -0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 3iq5 n LYS 19 Cb 0.47 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 3iq5 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iq5 n ALA 20 N -2.45 -1.98 -0.19 7.82 0.00 0.12 -4.89 120.51 118.94 3iq5 n ALA 20 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3iq5 n ALA 20 Cb 0.87 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3iq5 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iq5 n ASP 21 N 1.51 1.39 -3.97 0.00 5.75 -1.26 -5.01 116.55 114.97 3iq5 n ASP 21 Ca 0.11 -1.58 -0.11 0.00 -0.01 0.00 0.00 54.79 53.20 3iq5 n ASP 21 Cb 0.43 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.40 3iq5 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iq5 s ASN 22 N -0.58 0.35 0.36 -1.12 2.20 -1.26 -5.05 114.94 109.83 3iq5 s ASN 22 Ca 0.00 -0.34 0.04 0.00 -0.94 0.00 0.00 52.86 51.62 3iq5 s ASN 22 Cb 0.00 0.04 0.68 0.00 -2.00 0.00 0.00 41.25 39.97 3iq5 s ASN 22 CO 0.00 -0.16 1.99 0.00 -2.94 0.00 0.00 177.10 175.99 3iq5 h ALA 23 N 5.16 1.60 -0.42 3.54 0.00 -1.90 -2.85 119.26 124.40 3iq5 h ALA 23 Ca -0.30 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.64 3iq5 h ALA 23 Cb 1.21 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3iq5 h ALA 23 CO 0.45 0.33 0.04 0.00 0.00 0.00 0.00 179.25 180.07 3iq5 h ALA 24 N 1.61 0.42 0.00 0.00 0.00 -1.97 -0.97 119.26 118.34 3iq5 h ALA 24 Ca 0.26 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3iq5 h ALA 24 Cb 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iq5 h ALA 24 CO -0.07 -0.36 -0.36 0.37 0.00 0.00 0.00 179.25 178.83 3iq5 h GLN 25 N 0.15 0.00 0.03 0.00 4.15 -1.94 -2.50 115.11 115.00 3iq5 h GLN 25 Ca 0.21 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.43 3iq5 h GLN 25 Cb 0.28 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.99 3iq5 h GLN 25 CO -0.31 0.36 -0.78 0.28 -1.93 0.00 0.00 178.83 176.44 3iq5 h VAL 26 N 0.00 1.40 -0.76 2.39 2.07 -1.35 -2.74 116.25 117.26 3iq5 h VAL 26 Ca -0.00 -2.22 0.06 0.00 0.82 0.00 0.00 66.70 65.36 3iq5 h VAL 26 Cb 0.76 2.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.13 3iq5 h VAL 26 CO 0.05 0.65 0.45 0.11 0.02 0.00 0.00 177.57 178.85 3iq5 h LYS 27 N -0.01 0.80 -0.28 1.57 1.57 -1.12 -0.29 116.57 118.80 3iq5 h LYS 27 Ca -0.11 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3iq5 h LYS 27 Cb 1.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3iq5 h LYS 27 CO 0.15 0.53 0.12 0.22 -0.57 0.00 0.00 179.45 179.90 3iq5 h ASP 28 N 0.83 0.39 -0.19 0.86 1.82 -1.48 -1.52 116.42 117.13 3iq5 h ASP 28 Ca 0.34 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 3iq5 h ASP 28 Cb 0.18 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 3iq5 h ASP 28 CO -0.18 0.44 0.00 0.00 -1.61 0.00 0.00 179.24 177.90 3iq5 h ALA 29 N 0.96 0.25 -0.33 -0.78 0.00 -1.12 -2.50 119.26 115.75 3iq5 h ALA 29 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iq5 h ALA 29 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3iq5 h ALA 29 CO -0.01 -0.04 0.15 -0.07 0.00 0.00 0.00 179.25 179.29 3iq5 h LEU 30 N 0.09 0.21 -0.45 0.00 3.38 -1.04 0.45 115.31 117.95 3iq5 h LEU 30 Ca 0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3iq5 h LEU 30 Cb 0.38 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3iq5 h LEU 30 CO 0.01 0.16 0.09 0.71 0.09 0.00 0.00 178.44 179.50 3iq5 h THR 31 N 0.32 0.76 -0.46 0.22 1.35 -1.27 0.33 112.91 114.17 3iq5 h THR 31 Ca 0.14 -0.08 -0.04 0.00 -0.55 0.00 0.00 66.41 65.88 3iq5 h THR 31 Cb 0.07 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 3iq5 h THR 31 CO -0.11 0.04 0.11 0.50 -0.25 0.00 0.00 175.52 175.81 3iq5 h LYS 32 N 0.23 0.68 -0.36 4.72 3.64 -0.89 -1.39 116.57 123.21 3iq5 h LYS 32 Ca 0.22 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3iq5 h LYS 32 Cb 0.28 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3iq5 h LYS 32 CO -0.29 0.62 -0.16 0.52 -2.27 0.00 0.00 179.45 177.88 3iq5 h MET 33 N 0.66 0.74 -0.88 1.90 2.86 0.15 -2.46 114.93 117.90 3iq5 h MET 33 Ca 0.15 -0.32 0.09 0.00 -2.06 0.00 0.00 59.70 57.56 3iq5 h MET 33 Cb 0.25 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.82 3iq5 h MET 33 CO -0.00 0.92 0.53 0.00 1.06 0.00 0.00 176.91 179.42 3iq5 h ALA 34 N 0.79 1.26 -0.31 6.32 0.00 0.24 0.08 119.26 127.65 3iq5 h ALA 34 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iq5 h ALA 34 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iq5 h ALA 34 CO 0.05 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.61 3iq5 h ALA 35 N 1.46 0.40 -0.70 0.00 0.00 -1.08 -1.00 119.26 118.35 3iq5 h ALA 35 Ca 0.41 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3iq5 h ALA 35 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3iq5 h ALA 35 CO -0.23 0.01 0.18 0.00 0.00 0.00 0.00 179.25 179.22 3iq5 h ALA 36 N 0.96 0.93 -0.62 0.00 0.00 -0.88 -2.01 119.26 117.63 3iq5 h ALA 36 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3iq5 h ALA 36 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iq5 h ALA 36 CO -0.01 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.93 3iq5 h ALA 37 N 1.09 0.83 -0.96 0.00 0.00 -0.87 -1.25 119.26 118.11 3iq5 h ALA 37 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3iq5 h ALA 37 Cb 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3iq5 h ALA 37 CO 0.00 0.65 0.62 0.00 0.00 0.00 0.00 179.25 180.52 3iq5 h ALA 38 N 1.01 1.22 -0.15 0.00 0.00 -0.91 -1.49 119.26 118.94 3iq5 h ALA 38 Ca 0.18 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3iq5 h ALA 38 Cb 0.51 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iq5 h ALA 38 CO 0.02 0.63 -0.67 0.22 0.00 0.00 0.00 179.25 179.46 3iq5 h ASP 39 N 1.31 0.70 1.14 0.00 3.58 -1.04 -3.19 116.42 118.91 3iq5 h ASP 39 Ca 0.35 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 3iq5 h ASP 39 Cb -0.12 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 3iq5 h ASP 39 CO -0.07 1.17 -0.24 0.00 -2.88 0.00 0.00 179.24 177.22 3iq5 h ALA 40 N 0.82 0.95 -0.96 -0.78 0.00 -0.96 -3.28 119.26 115.07 3iq5 h ALA 40 Ca -0.02 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 54.97 3iq5 h ALA 40 Cb 1.25 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 3iq5 h ALA 40 CO 0.13 0.30 0.29 2.35 0.00 0.00 0.00 179.25 182.32 3iq5 h TRP 41 N 0.00 0.42 -0.01 0.00 2.91 -1.26 0.55 115.95 118.56 3iq5 h TRP 41 Ca -0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3iq5 h TRP 41 Cb 0.88 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 3iq5 h TRP 41 CO 0.00 -0.34 -0.36 -1.13 -1.03 0.00 0.00 178.44 175.58 3iq5 n SER 42 N -5.29 1.02 -4.76 2.65 3.41 -1.23 -4.67 113.62 104.74 3iq5 n SER 42 Ca 0.27 -0.83 -0.36 0.00 -0.26 0.00 0.00 58.87 57.70 3iq5 n SER 42 Cb 0.89 0.23 0.03 0.00 -0.26 0.00 0.00 64.21 65.10 3iq5 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iq5 s ALA 43 N -2.62 2.61 -0.28 7.33 0.00 0.18 -5.01 121.76 123.96 3iq5 s ALA 43 Ca 0.20 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 3iq5 s ALA 43 Cb 0.19 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3iq5 s ALA 43 CO 0.58 -1.07 0.12 0.99 0.00 0.00 0.00 175.76 176.37 3iq5 s THR 44 N -1.61 4.53 0.41 0.00 2.01 -1.26 -5.01 115.64 114.71 3iq5 s THR 44 Ca 0.76 -0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.25 3iq5 s THR 44 Cb -0.30 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 3iq5 s THR 44 CO 0.33 0.20 1.11 -2.16 -0.69 0.00 0.00 174.62 173.41 3iq5 s PRO 45 N 1.63 4.07 0.13 4.92 0.04 -1.26 -4.87 135.00 139.66 3iq5 s PRO 45 Ca 0.05 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 3iq5 s PRO 45 Cb -0.16 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 3iq5 s PRO 45 CO 0.06 -0.26 1.52 -1.35 0.04 0.00 0.00 177.00 177.01 3iq5 h PRO 46 N 2.50 -0.25 0.00 0.56 0.11 -1.98 0.16 132.00 133.10 3iq5 h PRO 46 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iq5 h PRO 46 Cb 1.23 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iq5 h PRO 46 CO 0.62 -0.17 0.17 -0.22 -0.21 0.00 0.00 178.00 178.20 3iq5 h LYS 47 N -0.26 0.00 -0.12 1.05 1.63 -1.93 -1.56 116.57 115.38 3iq5 h LYS 47 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3iq5 h LYS 47 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3iq5 h LYS 47 CO -0.68 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 176.60 3iq5 n LEU 48 N -2.55 2.10 0.08 5.20 4.77 0.43 -4.68 117.00 122.36 3iq5 n LEU 48 Ca -0.02 -1.62 0.21 0.00 -0.03 0.00 0.00 56.01 54.55 3iq5 n LEU 48 Cb 0.21 -0.08 0.74 0.00 -2.33 0.00 0.00 43.42 41.97 3iq5 n LEU 48 CO 0.12 0.50 1.18 -0.33 -1.33 0.00 0.00 177.39 177.53 3iq5 h GLU 49 N 1.09 0.00 -0.53 3.23 5.08 -0.12 0.28 114.58 123.61 3iq5 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iq5 h GLU 49 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3iq5 h GLU 49 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 3iq5 n ASP 50 N -3.77 2.89 -4.91 1.42 5.75 -1.26 -4.94 116.55 111.73 3iq5 n ASP 50 Ca 0.08 -2.11 -0.21 0.00 -0.01 0.00 0.00 54.79 52.54 3iq5 n ASP 50 Cb 0.63 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 3iq5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iq5 s LYS 51 N -1.49 3.17 0.24 0.11 3.01 0.09 -5.08 119.74 119.79 3iq5 s LYS 51 Ca 0.33 -0.93 -0.30 0.00 -1.01 0.00 0.00 55.97 54.07 3iq5 s LYS 51 Cb 0.19 -2.74 -0.09 0.00 -1.01 0.00 0.00 37.83 34.18 3iq5 s LYS 51 CO 0.20 0.36 1.36 0.45 0.51 0.00 0.00 175.35 178.23 3iq5 s SER 52 N -3.95 6.79 0.66 2.83 0.15 -1.26 -4.86 113.70 114.05 3iq5 s SER 52 Ca 0.35 2.54 0.33 0.00 0.70 0.00 0.00 55.95 59.88 3iq5 s SER 52 Cb -0.08 -2.62 1.83 0.00 -1.71 0.00 0.00 66.02 63.43 3iq5 s SER 52 CO 0.28 -0.59 2.05 1.55 1.20 0.00 0.00 173.24 177.72 3iq5 h PRO 53 N 4.99 0.00 -0.37 5.44 0.13 -1.97 0.46 132.00 140.68 3iq5 h PRO 53 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 3iq5 h PRO 53 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3iq5 h PRO 53 CO 0.76 0.00 0.03 -0.25 -0.23 0.00 0.00 178.00 178.31 3iq5 n ASP 54 N -3.05 3.84 -4.81 1.44 8.00 -1.26 -4.69 116.55 116.03 3iq5 n ASP 54 Ca -0.01 -3.20 -0.31 0.00 0.71 0.00 0.00 54.79 51.98 3iq5 n ASP 54 Cb 0.31 -0.60 0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3iq5 n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iq5 s SER 55 N -1.87 5.09 0.38 -2.24 1.04 0.16 -4.83 113.70 111.43 3iq5 s SER 55 Ca 0.45 1.61 0.07 0.00 0.48 0.00 0.00 55.95 58.56 3iq5 s SER 55 Cb 0.37 -2.43 0.80 0.00 0.10 0.00 0.00 66.02 64.86 3iq5 s SER 55 CO 0.08 -1.63 1.98 -0.65 0.98 0.00 0.00 173.24 174.00 3iq5 h PRO 56 N -0.85 0.65 0.11 4.02 0.11 -1.96 -1.05 132.00 133.04 3iq5 h PRO 56 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3iq5 h PRO 56 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iq5 h PRO 56 CO 0.56 0.43 -0.05 0.93 -0.21 0.00 0.00 178.00 179.66 3iq5 h GLU 57 N 0.67 -0.14 -0.48 1.05 3.07 -1.92 -1.37 114.58 115.46 3iq5 h GLU 57 Ca 0.29 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.06 3iq5 h GLU 57 Cb 0.26 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3iq5 h GLU 57 CO -0.09 0.02 -0.08 0.52 -1.40 0.00 0.00 179.01 177.98 3iq5 h MET 58 N -0.28 0.85 -0.56 2.33 2.86 -1.72 0.15 114.93 118.56 3iq5 h MET 58 Ca -0.02 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3iq5 h MET 58 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3iq5 h MET 58 CO 0.02 0.90 0.34 1.25 1.06 0.00 0.00 176.91 180.49 3iq5 h HIS 59 N 0.77 0.64 -0.15 -0.22 6.17 -1.13 0.37 115.15 121.61 3iq5 h HIS 59 Ca 0.13 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.13 3iq5 h HIS 59 Cb 0.58 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.29 3iq5 h HIS 59 CO 0.03 0.38 -0.37 0.22 0.71 0.00 0.00 177.93 178.90 3iq5 h ASP 60 N 0.68 0.32 0.44 3.26 3.58 -0.82 0.16 116.42 124.04 3iq5 h ASP 60 Ca 0.22 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3iq5 h ASP 60 Cb -0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3iq5 h ASP 60 CO -0.09 0.67 -0.21 0.15 -2.88 0.00 0.00 179.24 176.89 3iq5 h PHE 61 N 0.26 -0.55 -0.58 0.28 3.57 0.26 -1.88 116.94 118.31 3iq5 h PHE 61 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3iq5 h PHE 61 Cb 0.78 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3iq5 h PHE 61 CO 0.02 -0.25 0.31 0.00 -2.23 0.00 0.00 178.31 176.16 3iq5 h ARG 62 N -0.79 0.80 -0.70 1.11 3.08 -0.17 -2.19 114.38 115.52 3iq5 h ARG 62 Ca -0.06 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3iq5 h ARG 62 Cb 0.54 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3iq5 h ARG 62 CO 0.10 0.59 0.46 1.25 -1.07 0.00 0.00 179.97 181.31 3iq5 h HIS 63 N 0.81 0.82 -0.70 3.04 2.76 -0.44 -1.14 115.15 120.30 3iq5 h HIS 63 Ca 0.21 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3iq5 h HIS 63 Cb 0.03 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 3iq5 h HIS 63 CO 0.01 0.48 0.33 0.78 -1.30 0.00 0.00 177.93 178.23 3iq5 h GLY 64 N 0.85 1.08 1.38 5.26 0.00 -0.68 -0.87 103.07 110.10 3iq5 h GLY 64 Ca 0.28 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3iq5 h GLY 64 CO -0.08 0.51 -0.15 0.74 0.00 0.00 0.00 176.54 177.56 3iq5 h PHE 65 N 0.98 0.81 -0.72 5.60 -1.00 -1.34 -0.42 116.94 120.84 3iq5 h PHE 65 Ca 0.24 -0.16 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 3iq5 h PHE 65 Cb 0.12 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 3iq5 h PHE 65 CO 0.01 0.84 0.27 2.35 -1.61 0.00 0.00 178.31 180.16 3iq5 h TRP 66 N 0.66 1.13 0.47 -0.55 7.01 -0.68 -0.51 115.95 123.48 3iq5 h TRP 66 Ca 0.11 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3iq5 h TRP 66 Cb 0.63 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 3iq5 h TRP 66 CO 0.03 0.88 -0.22 0.82 -2.79 0.00 0.00 178.44 177.15 3iq5 h ILE 67 N 1.05 0.54 -0.52 2.65 1.08 -0.76 -2.51 117.51 119.04 3iq5 h ILE 67 Ca 0.24 -0.10 0.10 0.00 -0.39 0.00 0.00 64.86 64.71 3iq5 h ILE 67 Cb 0.25 0.58 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 3iq5 h ILE 67 CO -0.02 0.02 0.03 0.25 -0.69 0.00 0.00 178.15 177.74 3iq5 h LEU 68 N -0.69 -0.17 -0.20 1.44 5.85 -0.88 -0.49 115.31 120.18 3iq5 h LEU 68 Ca -0.06 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3iq5 h LEU 68 Cb 0.51 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3iq5 h LEU 68 CO 0.11 -0.05 -0.06 0.40 -0.34 0.00 0.00 178.44 178.49 3iq5 h ILE 69 N 0.15 0.78 -0.41 4.05 2.04 -1.08 0.20 117.51 123.24 3iq5 h ILE 69 Ca 0.26 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.19 3iq5 h ILE 69 Cb 0.39 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 3iq5 h ILE 69 CO -0.41 0.00 0.07 1.23 0.00 0.00 0.00 178.15 179.04 3iq5 h GLY 70 N -0.02 0.47 1.00 5.37 0.00 -0.81 0.20 103.07 109.28 3iq5 h GLY 70 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3iq5 h GLY 70 CO -0.21 -0.05 0.36 1.46 0.00 0.00 0.00 176.54 178.10 3iq5 h GLN 71 N 0.19 0.83 -0.28 4.80 4.20 -0.39 0.69 115.11 125.16 3iq5 h GLN 71 Ca 0.20 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3iq5 h GLN 71 Cb 0.25 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3iq5 h GLN 71 CO -0.27 0.60 0.12 0.82 -0.67 0.00 0.00 178.83 179.44 3iq5 h ILE 72 N 0.82 1.16 -1.01 2.54 2.04 -0.06 -0.25 117.51 122.75 3iq5 h ILE 72 Ca 0.22 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.66 3iq5 h ILE 72 Cb -0.00 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3iq5 h ILE 72 CO -0.04 0.16 0.66 0.45 0.00 0.00 0.00 178.15 179.38 3iq5 h HIS 73 N 0.30 1.22 -0.51 1.37 3.86 -0.29 0.23 115.15 121.34 3iq5 h HIS 73 Ca 0.09 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.23 3iq5 h HIS 73 Cb 0.15 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3iq5 h HIS 73 CO -0.01 0.66 -0.10 -0.44 0.86 0.00 0.00 177.93 178.90 3iq5 h ASP 74 N 1.22 0.94 -0.35 2.45 3.32 -0.36 -2.41 116.42 121.24 3iq5 h ASP 74 Ca 0.42 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3iq5 h ASP 74 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3iq5 h ASP 74 CO -0.15 1.06 -0.23 0.00 -1.72 0.00 0.00 179.24 178.20 3iq5 h ALA 75 N 1.03 0.49 -0.74 3.45 0.00 -0.30 -2.92 119.26 120.28 3iq5 h ALA 75 Ca 0.14 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3iq5 h ALA 75 Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3iq5 h ALA 75 CO 0.04 0.47 0.48 1.25 0.00 0.00 0.00 179.25 181.50 3iq5 h LEU 76 N 0.55 0.71 -0.31 0.00 5.85 -0.34 -1.23 115.31 120.53 3iq5 h LEU 76 Ca 0.07 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3iq5 h LEU 76 Cb 0.79 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3iq5 h LEU 76 CO 0.06 0.47 0.12 -0.74 -0.34 0.00 0.00 178.44 178.01 3iq5 h HIS 77 N 0.81 0.47 -0.45 1.25 2.76 -1.33 -0.34 115.15 118.32 3iq5 h HIS 77 Ca 0.31 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.47 3iq5 h HIS 77 Cb 0.19 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 3iq5 h HIS 77 CO -0.00 0.45 0.25 -0.07 -1.30 0.00 0.00 177.93 177.26 3iq5 h LEU 78 N 0.35 0.39 -1.28 0.26 3.38 -1.16 -1.67 115.31 115.58 3iq5 h LEU 78 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3iq5 h LEU 78 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3iq5 h LEU 78 CO -0.01 0.28 0.32 0.00 0.09 0.00 0.00 178.44 179.12 3iq5 h ALA 79 N 1.21 1.45 0.00 1.53 0.00 -0.96 -1.02 119.26 121.47 3iq5 h ALA 79 Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iq5 h ALA 79 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3iq5 h ALA 79 CO -0.10 0.45 -0.27 -0.91 0.00 0.00 0.00 179.25 178.42 3iq5 h ASN 80 N 0.83 0.00 -0.12 0.00 2.35 -0.46 0.14 115.58 118.31 3iq5 h ASN 80 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3iq5 h ASN 80 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3iq5 h ASN 80 CO -0.03 0.27 0.00 -0.62 -1.65 0.00 0.00 177.43 175.40 3iq5 n GLU 81 N -3.94 1.45 -1.46 0.81 1.02 -0.50 -4.89 120.64 113.13 3iq5 n GLU 81 Ca -0.02 -0.69 -0.07 0.00 -0.02 0.00 0.00 57.16 56.36 3iq5 n GLU 81 Cb 0.35 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 3iq5 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iq5 n GLY 82 N 0.96 0.70 3.04 0.62 0.00 0.47 -4.97 105.19 106.01 3iq5 n GLY 82 Ca 0.14 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3iq5 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iq5 n LYS 83 N -2.50 4.02 -0.15 1.61 5.02 -0.54 -4.87 118.16 120.75 3iq5 n LYS 83 Ca -0.07 -4.17 -0.03 0.00 -2.02 0.00 0.00 58.31 52.02 3iq5 n LYS 83 Cb 0.32 -2.69 0.06 0.00 -0.02 0.00 0.00 35.03 32.70 3iq5 n LYS 83 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3iq5 h VAL 84 N 3.65 0.77 0.36 -0.18 3.04 -1.87 0.20 116.25 122.21 3iq5 h VAL 84 Ca 0.27 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.86 3iq5 h VAL 84 Cb 0.67 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 3iq5 h VAL 84 CO 1.38 0.05 -0.26 0.50 -1.01 0.00 0.00 177.57 178.23 3iq5 h LYS 85 N 0.27 -0.59 -0.48 4.17 3.64 -1.98 0.41 116.57 122.00 3iq5 h LYS 85 Ca 0.24 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3iq5 h LYS 85 Cb 0.29 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3iq5 h LYS 85 CO -0.29 -0.39 0.23 0.93 -2.27 0.00 0.00 179.45 177.66 3iq5 h GLU 86 N -0.61 0.45 -0.43 1.90 5.08 -1.90 0.16 114.58 119.23 3iq5 h GLU 86 Ca -0.03 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3iq5 h GLU 86 Cb 0.53 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3iq5 h GLU 86 CO 0.01 0.30 0.10 0.00 -1.00 0.00 0.00 179.01 178.42 3iq5 h ALA 87 N 1.27 0.48 -0.46 3.43 0.00 -0.32 0.15 119.26 123.80 3iq5 h ALA 87 Ca 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3iq5 h ALA 87 Cb 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iq5 h ALA 87 CO -0.16 -0.30 0.13 1.96 0.00 0.00 0.00 179.25 180.88 3iq5 h GLN 88 N 0.24 0.68 -0.56 0.00 4.20 0.12 -2.24 115.11 117.56 3iq5 h GLN 88 Ca 0.21 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 3iq5 h GLN 88 Cb 0.24 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3iq5 h GLN 88 CO -0.25 0.61 -0.08 0.00 -0.67 0.00 0.00 178.83 178.44 3iq5 h ALA 89 N 1.48 0.80 -0.64 3.87 0.00 0.39 -2.92 119.26 122.23 3iq5 h ALA 89 Ca 0.15 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iq5 h ALA 89 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iq5 h ALA 89 CO -0.01 0.67 0.42 0.00 0.00 0.00 0.00 179.25 180.33 3iq5 h ALA 90 N 0.97 0.82 -0.22 0.00 0.00 -0.50 -2.00 119.26 118.33 3iq5 h ALA 90 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iq5 h ALA 90 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3iq5 h ALA 90 CO 0.04 0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.65 3iq5 h ALA 91 N 1.25 1.93 -0.15 0.00 0.00 -1.23 -1.94 119.26 119.10 3iq5 h ALA 91 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iq5 h ALA 91 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3iq5 h ALA 91 CO -0.07 0.05 0.03 0.93 0.00 0.00 0.00 179.25 180.20 3iq5 h GLU 92 N 0.23 0.25 -0.17 0.00 4.39 -1.26 -2.73 114.58 115.29 3iq5 h GLU 92 Ca 0.09 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 3iq5 h GLU 92 Cb 0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3iq5 h GLU 92 CO -0.02 0.41 -0.30 1.96 -1.16 0.00 0.00 179.01 179.91 3iq5 h GLN 93 N 0.05 0.32 -0.81 2.33 1.08 -1.41 -2.65 115.11 114.02 3iq5 h GLN 93 Ca 0.05 -0.12 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 3iq5 h GLN 93 Cb 0.28 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 3iq5 h GLN 93 CO 0.00 0.59 0.53 1.25 -0.95 0.00 0.00 178.83 180.25 3iq5 h LEU 94 N 0.28 0.70 -1.84 1.46 6.46 -1.21 -1.23 115.31 119.93 3iq5 h LEU 94 Ca 0.04 0.02 0.26 0.00 -0.12 0.00 0.00 57.88 58.08 3iq5 h LEU 94 Cb 0.67 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 3iq5 h LEU 94 CO 0.05 0.42 0.66 0.11 -0.62 0.00 0.00 178.44 179.06 3iq5 h LYS 95 N 0.77 0.11 -0.12 1.25 1.57 -1.16 0.19 116.57 119.19 3iq5 h LYS 95 Ca 0.37 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3iq5 h LYS 95 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3iq5 h LYS 95 CO -0.15 0.08 -0.16 0.00 -0.57 0.00 0.00 179.45 178.65 3iq5 h THR 97 N 0.18 1.33 -0.06 0.00 2.02 -0.76 0.47 112.91 116.09 3iq5 h THR 97 Ca 0.03 -1.19 0.04 0.00 0.77 0.00 0.00 66.41 66.06 3iq5 h THR 97 Cb 0.40 1.78 -0.06 0.00 -1.74 0.00 0.00 68.15 68.54 3iq5 h THR 97 CO 0.03 0.35 -0.41 0.00 0.37 0.00 0.00 175.52 175.86 3iq5 h ASN 99 N -0.53 0.67 -0.37 0.00 -0.26 -0.86 -1.65 115.58 112.58 3iq5 h ASN 99 Ca 0.06 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.69 3iq5 h ASN 99 Cb 0.63 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 3iq5 h ASN 99 CO -0.35 0.46 -0.18 0.00 -1.06 0.00 0.00 177.43 176.30 3iq5 h ALA 100 N 1.62 0.52 -0.34 -0.83 0.00 -0.44 -1.86 119.26 117.93 3iq5 h ALA 100 Ca 0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3iq5 h ALA 100 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iq5 h ALA 100 CO -0.07 0.46 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 3iq5 h HIS 102 N 0.43 0.88 -0.81 0.00 -0.00 -1.22 0.20 115.15 114.64 3iq5 h HIS 102 Ca 0.09 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 3iq5 h HIS 102 Cb 0.53 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.61 3iq5 h HIS 102 CO 0.05 0.47 0.53 0.37 -0.00 0.00 0.00 177.93 179.34 3iq5 h GLN 103 N 0.90 0.88 0.17 2.45 5.75 -1.30 0.45 115.11 124.40 3iq5 h GLN 103 Ca 0.33 -0.05 -0.34 0.00 -0.15 0.00 0.00 58.65 58.44 3iq5 h GLN 103 Cb 0.11 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 28.46 3iq5 h GLN 103 CO -0.15 0.58 -1.67 0.87 -2.65 0.00 0.00 178.83 175.82 3iq5 h LYS 104 N 0.91 0.35 0.00 1.69 1.57 -1.14 -3.42 116.57 116.52 3iq5 h LYS 104 Ca 0.34 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3iq5 h LYS 104 Cb 0.18 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3iq5 h LYS 104 CO -0.11 1.25 0.00 0.66 -0.57 0.00 0.00 179.45 180.68 3iq5 n TYR 105 N -3.55 0.00 1.44 -1.35 4.02 0.61 -5.12 117.16 113.21 3iq5 n TYR 105 Ca -0.22 -0.13 0.14 0.00 -0.01 0.00 0.00 57.90 57.69 3iq5 n TYR 105 Cb 1.07 -0.01 0.47 0.00 -0.02 0.00 0.00 39.34 40.85 3iq5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72