#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnk s ASP 2 N 0.00 4.42 0.17 0.00 1.47 -1.26 -4.84 116.67 116.63 3hnk s ASP 2 Ca 0.00 0.64 -0.15 0.00 1.18 0.00 0.00 52.55 54.22 3hnk s ASP 2 Cb 0.00 -1.12 0.13 0.00 -0.34 0.00 0.00 42.92 41.60 3hnk s ASP 2 CO 0.00 -1.93 1.69 0.25 0.68 0.00 0.00 175.17 175.86 3hnk h LEU 3 N -1.02 -0.23 -0.76 2.11 6.46 -1.96 -1.91 115.31 118.01 3hnk h LEU 3 Ca -0.45 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 3hnk h LEU 3 Cb 1.32 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 41.41 3hnk h LEU 3 CO 0.62 -0.07 0.40 -0.33 -0.62 0.00 0.00 178.44 178.43 3hnk h GLU 4 N 0.09 1.08 -0.13 1.25 5.08 -1.99 -0.14 114.58 119.82 3hnk h GLU 4 Ca 0.21 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3hnk h GLU 4 Cb 0.32 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3hnk h GLU 4 CO -0.38 0.81 0.05 -0.44 -1.00 0.00 0.00 179.01 178.05 3hnk h ASP 5 N 1.06 0.18 -0.82 1.42 5.19 -1.86 -1.06 116.42 120.53 3hnk h ASP 5 Ca 0.27 -0.17 0.07 0.00 -0.62 0.00 0.00 57.03 56.57 3hnk h ASP 5 Cb 0.07 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 3hnk h ASP 5 CO -0.04 0.30 0.54 0.78 -3.12 0.00 0.00 179.24 177.70 3hnk h ASN 6 N 0.04 0.79 -0.15 6.45 2.35 -1.14 -1.31 115.58 122.61 3hnk h ASN 6 Ca 0.04 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 3hnk h ASN 6 Cb 0.18 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hnk h ASN 6 CO -0.00 0.50 -0.49 0.24 -1.65 0.00 0.00 177.43 176.03 3hnk h MET 7 N 0.89 0.72 -0.69 0.81 2.86 -0.73 -0.95 114.93 117.84 3hnk h MET 7 Ca 0.36 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3hnk h MET 7 Cb 0.25 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3hnk h MET 7 CO -0.13 1.05 0.18 0.93 1.06 0.00 0.00 176.91 180.00 3hnk h GLU 8 N 0.57 1.09 -0.09 1.72 4.39 -0.87 -0.31 114.58 121.08 3hnk h GLU 8 Ca 0.03 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 3hnk h GLU 8 Cb 1.05 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3hnk h GLU 8 CO 0.10 0.96 0.06 1.15 -1.16 0.00 0.00 179.01 180.12 3hnk h THR 9 N 1.02 1.05 -0.41 1.13 2.02 -1.09 0.16 112.91 116.79 3hnk h THR 9 Ca 0.22 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.36 3hnk h THR 9 Cb 0.35 0.97 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 3hnk h THR 9 CO -0.00 0.04 -0.06 -0.07 0.37 0.00 0.00 175.52 175.80 3hnk h LEU 10 N 0.09 -0.29 -0.16 2.58 4.07 -1.04 -2.19 115.31 118.37 3hnk h LEU 10 Ca 0.03 0.11 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 3hnk h LEU 10 Cb 0.02 0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 3hnk h LEU 10 CO -0.01 -0.10 -0.07 -1.13 -1.08 0.00 0.00 178.44 176.05 3hnk h ASN 11 N 0.04 0.34 -0.36 -0.43 -1.24 -0.78 -2.44 115.58 110.72 3hnk h ASN 11 Ca 0.20 -0.40 0.04 0.00 0.71 0.00 0.00 56.30 56.84 3hnk h ASN 11 Cb 0.30 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 3hnk h ASN 11 CO -0.39 0.67 0.13 0.44 -1.29 0.00 0.00 177.43 176.99 3hnk h ASP 12 N 0.01 0.14 0.63 1.15 3.32 -0.65 -2.71 116.42 118.32 3hnk h ASP 12 Ca 0.04 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3hnk h ASP 12 Cb 0.54 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hnk h ASP 12 CO 0.02 0.12 -0.46 0.78 -1.72 0.00 0.00 179.24 177.98 3hnk h ASN 13 N 0.28 0.00 -0.69 6.45 2.35 -1.42 -2.17 115.58 120.38 3hnk h ASN 13 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3hnk h ASN 13 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3hnk h ASN 13 CO -0.16 0.46 0.22 0.25 -1.65 0.00 0.00 177.43 176.54 3hnk h LEU 14 N 0.00 1.00 -0.67 1.61 5.85 -1.21 -1.59 115.31 120.30 3hnk h LEU 14 Ca -0.00 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 3hnk h LEU 14 Cb 0.90 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3hnk h LEU 14 CO 0.06 0.94 0.14 0.11 -0.34 0.00 0.00 178.44 179.35 3hnk h LYS 15 N 1.01 1.08 -0.39 1.25 1.57 -1.17 -2.12 116.57 117.80 3hnk h LYS 15 Ca 0.22 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3hnk h LYS 15 Cb 0.30 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3hnk h LYS 15 CO -0.01 0.98 0.16 0.28 -0.57 0.00 0.00 179.45 180.29 3hnk h VAL 16 N 1.01 0.93 -0.19 0.50 2.07 -1.19 -2.96 116.25 116.41 3hnk h VAL 16 Ca 0.21 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3hnk h VAL 16 Cb 0.40 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3hnk h VAL 16 CO 0.01 0.06 0.12 0.40 0.02 0.00 0.00 177.57 178.18 3hnk h ILE 17 N 0.34 1.07 -0.99 4.57 2.04 -1.06 -1.10 117.51 122.38 3hnk h ILE 17 Ca 0.17 -0.16 0.22 0.00 1.00 0.00 0.00 64.86 66.09 3hnk h ILE 17 Cb 0.12 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 3hnk h ILE 17 CO -0.15 0.07 0.62 -0.33 0.00 0.00 0.00 178.15 178.36 3hnk h GLU 18 N 0.24 0.54 -0.30 2.37 5.08 -1.23 -1.68 114.58 119.60 3hnk h GLU 18 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hnk h GLU 18 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3hnk h GLU 18 CO -0.01 0.35 0.00 0.36 -1.00 0.00 0.00 179.01 178.71 3hnk n LYS 19 N -4.66 2.87 -1.94 2.33 2.85 -1.11 -5.02 118.16 113.49 3hnk n LYS 19 Ca 0.23 -2.26 -0.33 0.00 -1.05 0.00 0.00 58.31 54.90 3hnk n LYS 19 Cb 0.70 -1.42 0.03 0.00 -0.65 0.00 0.00 35.03 33.68 3hnk n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hnk s ALA 20 N -1.56 2.58 -0.14 0.58 0.00 -0.43 -4.99 121.76 117.79 3hnk s ALA 20 Ca 0.27 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3hnk s ALA 20 Cb 0.18 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 3hnk s ALA 20 CO 0.13 -1.05 -0.11 -0.25 0.00 0.00 0.00 175.76 174.47 3hnk n ASP 21 N -2.06 2.78 -4.57 0.00 10.43 -1.26 -5.05 116.55 116.81 3hnk n ASP 21 Ca 0.10 -0.07 -0.26 0.00 2.57 0.00 0.00 54.79 57.13 3hnk n ASP 21 Cb 0.52 -0.13 -0.11 0.00 1.84 0.00 0.00 41.12 43.24 3hnk n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hnk s ASN 22 N -5.33 3.60 0.30 -2.24 2.20 -1.26 -5.05 114.94 107.16 3hnk s ASN 22 Ca -0.18 -1.32 0.03 0.00 -0.94 0.00 0.00 52.86 50.44 3hnk s ASN 22 Cb 0.05 -0.34 0.47 0.00 -2.00 0.00 0.00 41.25 39.43 3hnk s ASN 22 CO 0.36 -0.41 1.77 0.00 -2.94 0.00 0.00 177.10 175.88 3hnk h ALA 23 N 1.90 1.18 -0.73 3.54 0.00 -1.90 -3.05 119.26 120.20 3hnk h ALA 23 Ca -0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hnk h ALA 23 Cb 1.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3hnk h ALA 23 CO 0.76 0.52 0.45 0.00 0.00 0.00 0.00 179.25 180.98 3hnk h ALA 24 N 1.36 0.93 -0.56 0.00 0.00 -1.97 0.83 119.26 119.86 3hnk h ALA 24 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hnk h ALA 24 Cb 0.56 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hnk h ALA 24 CO 0.04 0.39 0.26 1.96 0.00 0.00 0.00 179.25 181.89 3hnk h GLN 25 N 0.99 0.82 -0.15 0.00 4.20 -1.96 -1.80 115.11 117.20 3hnk h GLN 25 Ca 0.26 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3hnk h GLN 25 Cb -0.05 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3hnk h GLN 25 CO -0.05 0.68 -0.18 0.28 -0.67 0.00 0.00 178.83 178.88 3hnk h VAL 26 N 0.76 1.35 -0.50 -0.54 2.07 -1.40 -2.15 116.25 115.84 3hnk h VAL 26 Ca 0.19 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.41 3hnk h VAL 26 Cb 0.14 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 3hnk h VAL 26 CO -0.02 0.41 0.15 0.11 0.02 0.00 0.00 177.57 178.24 3hnk h LYS 27 N 0.02 0.30 -0.33 1.57 1.57 -0.82 -0.99 116.57 117.90 3hnk h LYS 27 Ca 0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3hnk h LYS 27 Cb 0.74 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3hnk h LYS 27 CO 0.04 0.20 0.12 0.22 -0.57 0.00 0.00 179.45 179.47 3hnk h ASP 28 N 0.31 0.46 -0.57 0.86 1.82 -1.27 -0.74 116.42 117.31 3hnk h ASP 28 Ca 0.25 -0.18 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 3hnk h ASP 28 Cb 0.29 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 3hnk h ASP 28 CO -0.28 0.52 0.11 0.00 -1.61 0.00 0.00 179.24 177.98 3hnk h ALA 29 N 0.96 0.75 -0.24 -0.78 0.00 -1.08 -1.90 119.26 116.98 3hnk h ALA 29 Ca 0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3hnk h ALA 29 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hnk h ALA 29 CO -0.01 0.48 -0.41 -0.07 0.00 0.00 0.00 179.25 179.24 3hnk h LEU 30 N 0.82 0.60 -0.50 0.00 3.38 -1.13 -0.68 115.31 117.80 3hnk h LEU 30 Ca 0.17 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hnk h LEU 30 Cb 0.39 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3hnk h LEU 30 CO 0.01 0.94 0.27 0.74 0.09 0.00 0.00 178.44 180.49 3hnk h THR 31 N 0.47 1.00 -0.43 0.22 2.02 -0.90 0.61 112.91 115.90 3hnk h THR 31 Ca 0.04 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 3hnk h THR 31 Cb 0.91 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3hnk h THR 31 CO 0.08 0.10 -0.14 0.11 0.37 0.00 0.00 175.52 176.04 3hnk h LYS 32 N 0.54 0.79 -0.60 6.66 1.57 -1.14 -2.51 116.57 121.89 3hnk h LYS 32 Ca 0.21 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hnk h LYS 32 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3hnk h LYS 32 CO -0.13 0.89 0.32 0.52 -0.57 0.00 0.00 179.45 180.49 3hnk h MET 33 N 0.71 0.84 -0.41 3.15 2.86 -0.75 -1.65 114.93 119.68 3hnk h MET 33 Ca 0.11 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3hnk h MET 33 Cb 0.63 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3hnk h MET 33 CO 0.04 0.65 0.23 0.00 1.06 0.00 0.00 176.91 178.90 3hnk h ALA 34 N 1.15 0.53 -0.36 6.32 0.00 -0.70 -0.25 119.26 125.94 3hnk h ALA 34 Ca 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hnk h ALA 34 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hnk h ALA 34 CO -0.03 0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.49 3hnk h ALA 35 N 1.09 0.46 -0.59 0.00 0.00 -1.38 -1.13 119.26 117.71 3hnk h ALA 35 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hnk h ALA 35 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hnk h ALA 35 CO -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.23 3hnk h ALA 36 N 1.10 0.97 -0.38 0.00 0.00 -1.09 -0.79 119.26 119.07 3hnk h ALA 36 Ca 0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3hnk h ALA 36 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hnk h ALA 36 CO -0.03 0.63 -0.36 0.00 0.00 0.00 0.00 179.25 179.50 3hnk h ALA 37 N 1.13 0.56 -0.85 0.00 0.00 -0.95 -1.98 119.26 117.17 3hnk h ALA 37 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3hnk h ALA 37 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3hnk h ALA 37 CO 0.02 0.65 0.47 0.00 0.00 0.00 0.00 179.25 180.38 3hnk h ALA 38 N 0.77 1.09 -0.35 0.00 0.00 -1.00 -0.85 119.26 118.92 3hnk h ALA 38 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hnk h ALA 38 Cb 0.96 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hnk h ALA 38 CO 0.09 0.59 -0.15 0.22 0.00 0.00 0.00 179.25 180.00 3hnk h ASP 39 N 1.18 0.63 1.88 0.00 3.58 -1.08 -3.07 116.42 119.54 3hnk h ASP 39 Ca 0.30 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 3hnk h ASP 39 Cb 0.03 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 3hnk h ASP 39 CO -0.05 0.80 -0.12 0.00 -2.88 0.00 0.00 179.24 176.99 3hnk h ALA 40 N 1.26 0.93 -0.90 -0.78 0.00 -0.87 -3.35 119.26 115.55 3hnk h ALA 40 Ca 0.10 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.12 3hnk h ALA 40 Cb 0.59 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 3hnk h ALA 40 CO 0.04 0.11 0.45 2.35 0.00 0.00 0.00 179.25 182.20 3hnk h TRP 41 N 0.00 0.78 -0.00 0.00 2.91 -1.07 -0.96 115.95 117.61 3hnk h TRP 41 Ca -0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3hnk h TRP 41 Cb 1.07 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.51 3hnk h TRP 41 CO 0.00 0.08 -0.08 -1.13 -1.03 0.00 0.00 178.44 176.27 3hnk n SER 42 N -4.93 0.35 -4.80 2.65 3.41 -1.26 -4.78 113.62 104.25 3hnk n SER 42 Ca 0.21 -0.47 -0.35 0.00 -0.26 0.00 0.00 58.87 58.00 3hnk n SER 42 Cb 0.57 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3hnk n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hnk s ALA 43 N -2.49 3.02 -0.32 7.33 0.00 -0.37 -5.04 121.76 123.89 3hnk s ALA 43 Ca 0.29 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 3hnk s ALA 43 Cb 0.20 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3hnk s ALA 43 CO 0.47 -0.12 0.18 0.99 0.00 0.00 0.00 175.76 177.28 3hnk s THR 44 N -1.87 4.87 0.57 0.00 2.01 -1.26 -5.01 115.64 114.95 3hnk s THR 44 Ca 0.61 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 3hnk s THR 44 Cb -0.17 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3hnk s THR 44 CO 0.21 0.05 1.06 -2.16 -0.69 0.00 0.00 174.62 173.09 3hnk s PRO 45 N 1.66 3.40 0.26 4.92 0.04 -1.26 -4.87 135.00 139.14 3hnk s PRO 45 Ca 0.05 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 3hnk s PRO 45 Cb -0.17 -2.04 0.54 0.00 0.04 0.00 0.00 34.50 32.87 3hnk s PRO 45 CO 0.08 -0.75 1.68 -1.35 0.04 0.00 0.00 177.00 176.69 3hnk h PRO 46 N 0.65 0.26 0.00 0.56 0.11 -1.99 -1.14 132.00 130.45 3hnk h PRO 46 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hnk h PRO 46 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hnk h PRO 46 CO 0.58 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.17 3hnk n LYS 47 N -5.17 0.16 -0.16 1.05 4.76 -1.26 -2.54 118.16 115.00 3hnk n LYS 47 Ca 0.16 0.39 0.05 0.00 -2.87 0.00 0.00 58.31 56.05 3hnk n LYS 47 Cb 0.53 -1.80 0.13 0.00 -1.84 0.00 0.00 35.03 32.04 3hnk n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hnk n LEU 48 N -2.10 2.74 0.02 -0.35 4.77 -0.46 -4.72 117.00 116.90 3hnk n LEU 48 Ca 0.02 -2.36 0.11 0.00 -0.03 0.00 0.00 56.01 53.76 3hnk n LEU 48 Cb 0.22 -0.25 0.55 0.00 -2.33 0.00 0.00 43.42 41.61 3hnk n LEU 48 CO 0.18 0.65 1.16 -0.33 -1.33 0.00 0.00 177.39 177.72 3hnk h GLU 49 N 1.06 0.27 -0.09 3.23 5.08 -1.18 -1.43 114.58 121.52 3hnk h GLU 49 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hnk h GLU 49 Cb 0.84 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3hnk h GLU 49 CO 0.04 0.18 0.00 -0.25 -1.00 0.00 0.00 179.01 177.98 3hnk n ASP 50 N -4.47 1.45 -4.91 1.42 8.00 -1.26 -4.89 116.55 111.89 3hnk n ASP 50 Ca 0.06 -1.58 -0.29 0.00 0.71 0.00 0.00 54.79 53.69 3hnk n ASP 50 Cb 0.31 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.32 3hnk n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hnk s LYS 51 N -1.89 3.59 0.49 -1.24 -0.14 -0.54 -5.09 119.74 114.92 3hnk s LYS 51 Ca 0.35 -0.16 -0.21 0.00 -1.36 0.00 0.00 55.97 54.59 3hnk s LYS 51 Cb 0.19 -2.77 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 3hnk s LYS 51 CO 0.29 0.35 1.10 0.45 -0.76 0.00 0.00 175.35 176.79 3hnk s SER 52 N -2.97 6.13 0.58 2.83 0.15 -1.26 -4.92 113.70 114.22 3hnk s SER 52 Ca 0.41 2.12 0.36 0.00 0.70 0.00 0.00 55.95 59.55 3hnk s SER 52 Cb -0.11 -2.58 1.98 0.00 -1.71 0.00 0.00 66.02 63.60 3hnk s SER 52 CO 0.28 -0.94 2.11 -0.65 1.20 0.00 0.00 173.24 175.24 3hnk h PRO 53 N 1.66 0.00 -0.30 5.44 0.11 -1.98 -0.93 132.00 136.00 3hnk h PRO 53 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hnk h PRO 53 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hnk h PRO 53 CO 0.59 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 3hnk n ASP 54 N -2.82 2.97 -4.72 -2.05 9.92 -1.26 -4.56 116.55 114.03 3hnk n ASP 54 Ca -0.02 -1.87 -0.33 0.00 -0.53 0.00 0.00 54.79 52.03 3hnk n ASP 54 Cb 0.11 -0.19 0.10 0.00 -0.64 0.00 0.00 41.12 40.50 3hnk n ASP 54 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3hnk s SER 55 N -1.19 4.08 0.28 -2.24 1.04 -0.35 -4.84 113.70 110.47 3hnk s SER 55 Ca 0.29 2.23 0.01 0.00 0.48 0.00 0.00 55.95 58.95 3hnk s SER 55 Cb 0.17 -2.57 0.56 0.00 0.10 0.00 0.00 66.02 64.27 3hnk s SER 55 CO 0.23 -2.33 1.81 -0.65 0.98 0.00 0.00 173.24 173.28 3hnk h PRO 56 N -0.65 0.85 -0.21 4.02 0.11 -1.95 -2.12 132.00 132.07 3hnk h PRO 56 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hnk h PRO 56 Cb 1.28 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3hnk h PRO 56 CO 0.49 0.57 0.13 0.93 -0.21 0.00 0.00 178.00 179.91 3hnk h GLU 57 N 0.88 0.27 -0.18 1.05 3.07 -1.92 -0.80 114.58 116.95 3hnk h GLU 57 Ca 0.49 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 59.21 3hnk h GLU 57 Cb 0.56 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3hnk h GLU 57 CO -0.29 0.19 -0.41 0.52 -1.40 0.00 0.00 179.01 177.61 3hnk h MET 58 N 0.27 0.42 -0.47 2.33 2.86 -1.75 0.15 114.93 118.74 3hnk h MET 58 Ca 0.07 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3hnk h MET 58 Cb -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3hnk h MET 58 CO -0.02 0.76 0.28 0.45 1.06 0.00 0.00 176.91 179.45 3hnk h HIS 59 N 0.35 0.62 -0.50 -0.22 3.86 -1.25 -0.99 115.15 117.01 3hnk h HIS 59 Ca 0.03 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3hnk h HIS 59 Cb 0.87 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 3hnk h HIS 59 CO 0.03 0.44 0.28 0.22 0.86 0.00 0.00 177.93 179.76 3hnk h ASP 60 N 0.63 0.63 -0.00 2.45 3.58 -0.73 -0.87 116.42 122.11 3hnk h ASP 60 Ca 0.17 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3hnk h ASP 60 Cb -0.00 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 3hnk h ASP 60 CO -0.03 0.53 0.00 0.15 -2.88 0.00 0.00 179.24 177.01 3hnk h PHE 61 N 0.67 0.00 -0.32 0.28 3.57 -0.52 -1.97 116.94 118.65 3hnk h PHE 61 Ca 0.18 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3hnk h PHE 61 Cb 0.04 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3hnk h PHE 61 CO -0.02 0.01 -0.13 0.00 -2.23 0.00 0.00 178.31 175.94 3hnk h ARG 62 N -0.01 0.56 -0.56 1.11 3.08 -1.12 -2.58 114.38 114.86 3hnk h ARG 62 Ca 0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3hnk h ARG 62 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3hnk h ARG 62 CO -0.00 0.68 0.26 1.25 -1.07 0.00 0.00 179.97 181.09 3hnk h HIS 63 N 0.51 0.78 -0.90 3.04 2.76 -0.89 -1.63 115.15 118.83 3hnk h HIS 63 Ca 0.09 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3hnk h HIS 63 Cb 0.53 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 3hnk h HIS 63 CO 0.02 0.58 0.56 0.78 -1.30 0.00 0.00 177.93 178.57 3hnk h GLY 64 N 0.89 1.30 1.43 5.26 0.00 -0.95 -0.99 103.07 110.01 3hnk h GLY 64 Ca 0.20 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 3hnk h GLY 64 CO -0.03 0.51 -0.47 0.74 0.00 0.00 0.00 176.54 177.29 3hnk h PHE 65 N 1.24 0.74 -0.42 5.60 -1.00 -1.36 -0.96 116.94 120.78 3hnk h PHE 65 Ca 0.33 -0.24 0.01 0.00 2.81 0.00 0.00 57.97 60.88 3hnk h PHE 65 Cb -0.08 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 3hnk h PHE 65 CO -0.00 0.96 0.26 2.35 -1.61 0.00 0.00 178.31 180.27 3hnk h TRP 66 N 0.49 0.49 0.24 -0.55 7.01 -0.90 0.94 115.95 123.68 3hnk h TRP 66 Ca 0.03 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3hnk h TRP 66 Cb 1.00 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 3hnk h TRP 66 CO 0.04 0.30 -0.19 0.82 -2.79 0.00 0.00 178.44 176.62 3hnk h ILE 67 N 0.53 0.60 -0.44 2.65 1.08 -1.14 -2.31 117.51 118.47 3hnk h ILE 67 Ca 0.16 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 3hnk h ILE 67 Cb -0.02 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 3hnk h ILE 67 CO -0.06 0.00 0.19 0.25 -0.69 0.00 0.00 178.15 177.84 3hnk h LEU 68 N -0.44 0.24 -0.75 1.44 5.85 -0.90 -1.75 115.31 119.00 3hnk h LEU 68 Ca -0.01 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3hnk h LEU 68 Cb 0.39 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3hnk h LEU 68 CO -0.01 0.17 0.34 0.40 -0.34 0.00 0.00 178.44 179.00 3hnk h ILE 69 N 0.38 1.25 -0.68 4.05 2.04 -0.80 -0.16 117.51 123.59 3hnk h ILE 69 Ca 0.20 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3hnk h ILE 69 Cb 0.16 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3hnk h ILE 69 CO -0.18 0.30 0.45 1.23 0.00 0.00 0.00 178.15 179.96 3hnk h GLY 70 N 1.07 0.96 0.93 5.37 0.00 -1.09 0.44 103.07 110.75 3hnk h GLY 70 Ca 0.26 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3hnk h GLY 70 CO -0.03 0.35 0.10 1.46 0.00 0.00 0.00 176.54 178.43 3hnk h GLN 71 N 0.93 0.60 -0.48 4.80 4.20 -0.93 -1.45 115.11 122.79 3hnk h GLN 71 Ca 0.25 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.83 3hnk h GLN 71 Cb -0.11 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3hnk h GLN 71 CO -0.05 0.63 0.31 0.82 -0.67 0.00 0.00 178.83 179.86 3hnk h ILE 72 N 0.47 1.10 -0.42 2.54 2.04 -0.81 -0.74 117.51 121.68 3hnk h ILE 72 Ca 0.12 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3hnk h ILE 72 Cb 0.29 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3hnk h ILE 72 CO -0.00 0.11 0.21 0.45 0.00 0.00 0.00 178.15 178.92 3hnk h HIS 73 N 0.62 0.38 -0.68 1.37 3.86 -0.78 0.17 115.15 120.09 3hnk h HIS 73 Ca 0.18 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 3hnk h HIS 73 Cb -0.05 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3hnk h HIS 73 CO -0.05 0.20 0.19 -0.44 0.86 0.00 0.00 177.93 178.69 3hnk h ASP 74 N 0.42 1.00 -0.58 2.45 3.45 -0.99 -0.63 116.42 121.53 3hnk h ASP 74 Ca 0.18 -0.19 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 3hnk h ASP 74 Cb 0.09 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 3hnk h ASP 74 CO -0.13 0.95 0.19 0.00 -1.57 0.00 0.00 179.24 178.68 3hnk h ALA 75 N 1.18 0.76 -0.62 3.45 0.00 -0.78 -2.75 119.26 120.51 3hnk h ALA 75 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hnk h ALA 75 Cb 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hnk h ALA 75 CO -0.00 0.42 0.35 1.25 0.00 0.00 0.00 179.25 181.27 3hnk h LEU 76 N 0.82 0.77 -0.51 0.00 5.85 -0.21 -1.31 115.31 120.72 3hnk h LEU 76 Ca 0.19 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3hnk h LEU 76 Cb 0.28 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3hnk h LEU 76 CO -0.01 0.64 0.00 -0.74 -0.34 0.00 0.00 178.44 177.99 3hnk h HIS 77 N 0.84 -0.03 -0.68 1.25 2.76 -1.05 0.25 115.15 118.50 3hnk h HIS 77 Ca 0.22 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3hnk h HIS 77 Cb 0.03 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 3hnk h HIS 77 CO -0.01 -0.11 0.38 -0.07 -1.30 0.00 0.00 177.93 176.81 3hnk h LEU 78 N 0.12 0.85 -0.70 0.26 3.38 -1.11 -2.36 115.31 115.75 3hnk h LEU 78 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hnk h LEU 78 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hnk h LEU 78 CO -0.43 0.69 0.33 0.00 0.09 0.00 0.00 178.44 179.13 3hnk h ALA 79 N 1.19 0.91 -0.75 1.53 0.00 -0.50 -0.55 119.26 121.08 3hnk h ALA 79 Ca 0.24 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3hnk h ALA 79 Cb 0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3hnk h ALA 79 CO -0.04 0.48 0.50 -0.91 0.00 0.00 0.00 179.25 179.27 3hnk h ASN 80 N 0.98 0.47 -0.29 0.00 -0.26 -0.17 -1.78 115.58 114.54 3hnk h ASN 80 Ca 0.24 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3hnk h ASN 80 Cb 0.13 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3hnk h ASN 80 CO -0.03 0.26 0.00 -0.62 -1.06 0.00 0.00 177.43 175.98 3hnk n GLU 81 N -4.49 1.89 -1.01 0.81 -0.58 -0.92 -4.91 120.64 111.43 3hnk n GLU 81 Ca 0.14 -1.36 -0.00 0.00 -0.42 0.00 0.00 57.16 55.51 3hnk n GLU 81 Cb 0.45 -1.37 -0.00 0.00 -0.57 0.00 0.00 31.44 29.95 3hnk n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hnk n GLY 82 N 1.17 0.47 3.33 0.62 0.00 -0.67 -4.97 105.19 105.14 3hnk n GLY 82 Ca 0.15 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3hnk n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnk n LYS 83 N -2.86 3.39 0.35 1.61 4.76 -0.26 -4.85 118.16 120.30 3hnk n LYS 83 Ca -0.00 -3.69 -0.15 0.00 -2.87 0.00 0.00 58.31 51.59 3hnk n LYS 83 Cb 0.03 -3.07 -0.07 0.00 -1.84 0.00 0.00 35.03 30.07 3hnk n LYS 83 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hnk h VAL 84 N 4.53 0.12 -0.73 -0.18 2.07 -1.90 -1.13 116.25 119.02 3hnk h VAL 84 Ca 0.36 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3hnk h VAL 84 Cb 0.81 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3hnk h VAL 84 CO 1.37 0.02 0.43 0.11 0.02 0.00 0.00 177.57 179.51 3hnk h LYS 85 N -1.17 0.77 -0.16 1.57 1.79 -1.97 -0.41 116.57 116.98 3hnk h LYS 85 Ca -0.09 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.20 3hnk h LYS 85 Cb 0.72 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 3hnk h LYS 85 CO 0.15 0.51 -0.46 1.05 -1.08 0.00 0.00 179.45 179.62 3hnk h GLU 86 N 0.79 0.41 -0.59 3.15 9.09 -1.97 -1.38 114.58 124.08 3hnk h GLU 86 Ca 0.32 -0.22 -0.09 0.00 0.05 0.00 0.00 59.36 59.43 3hnk h GLU 86 Cb 0.17 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.26 3hnk h GLU 86 CO -0.17 0.78 0.01 0.00 0.05 0.00 0.00 179.01 179.68 3hnk h ALA 87 N 1.19 0.91 -0.68 1.06 0.00 -0.63 -1.66 119.26 119.45 3hnk h ALA 87 Ca 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3hnk h ALA 87 Cb 0.93 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3hnk h ALA 87 CO 0.08 0.65 0.27 1.96 0.00 0.00 0.00 179.25 182.21 3hnk h GLN 88 N 0.93 0.99 -0.66 0.00 4.20 -0.78 -0.34 115.11 119.46 3hnk h GLN 88 Ca 0.17 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3hnk h GLN 88 Cb 0.52 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3hnk h GLN 88 CO 0.03 0.81 0.19 0.00 -0.67 0.00 0.00 178.83 179.18 3hnk h ALA 89 N 1.32 0.86 -0.58 3.87 0.00 -1.06 -1.88 119.26 121.79 3hnk h ALA 89 Ca 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hnk h ALA 89 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hnk h ALA 89 CO -0.02 0.55 0.17 0.00 0.00 0.00 0.00 179.25 179.95 3hnk h ALA 90 N 1.08 0.76 -0.87 0.00 0.00 -0.73 -2.25 119.26 117.25 3hnk h ALA 90 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hnk h ALA 90 Cb 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hnk h ALA 90 CO -0.00 0.44 0.43 0.00 0.00 0.00 0.00 179.25 180.12 3hnk h ALA 91 N 1.04 1.12 -0.20 0.00 0.00 -0.97 -2.60 119.26 117.65 3hnk h ALA 91 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hnk h ALA 91 Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hnk h ALA 91 CO -0.00 0.67 0.06 0.93 0.00 0.00 0.00 179.25 180.91 3hnk h GLU 92 N 1.23 0.15 -0.26 0.00 4.39 -1.15 -3.16 114.58 115.79 3hnk h GLU 92 Ca 0.30 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 3hnk h GLU 92 Cb 0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3hnk h GLU 92 CO -0.04 0.10 -0.04 1.96 -1.16 0.00 0.00 179.01 179.83 3hnk h GLN 93 N 0.15 0.39 0.00 2.33 4.20 -1.19 -2.79 115.11 118.20 3hnk h GLN 93 Ca 0.09 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hnk h GLN 93 Cb 0.06 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hnk h GLN 93 CO -0.10 0.45 0.00 1.47 -0.67 0.00 0.00 178.83 179.99 3hnk n LEU 94 N -4.30 0.00 0.09 1.46 -0.00 -1.00 -2.43 117.00 110.83 3hnk n LEU 94 Ca 0.01 0.42 0.12 0.00 -0.00 0.00 0.00 56.01 56.56 3hnk n LEU 94 Cb 0.24 -0.42 0.61 0.00 -0.00 0.00 0.00 43.42 43.85 3hnk n LEU 94 CO 0.38 -0.13 1.14 0.11 -0.00 0.00 0.00 177.39 178.89 3hnk h LYS 95 N 0.00 0.13 -0.96 1.47 1.57 -1.56 -0.79 116.57 116.42 3hnk h LYS 95 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3hnk h LYS 95 Cb 0.29 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 3hnk h LYS 95 CO 0.00 0.08 0.60 1.15 -0.57 0.00 0.00 179.45 180.71 3hnk h THR 96 N 0.13 0.98 -0.36 -0.16 2.02 -1.69 0.19 112.91 114.01 3hnk h THR 96 Ca 0.14 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3hnk h THR 96 Cb 0.40 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3hnk h THR 96 CO -0.02 0.18 -0.11 0.74 0.37 0.00 0.00 175.52 176.69 3hnk h THR 97 N 1.01 1.28 0.00 3.16 2.02 -1.36 -0.55 112.91 118.47 3hnk h THR 97 Ca 0.45 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.47 3hnk h THR 97 Cb 0.35 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3hnk h THR 97 CO -0.23 0.39 -0.27 0.00 0.37 0.00 0.00 175.52 175.79 3hnk h ASN 99 N -0.41 0.63 -0.69 0.00 -0.26 -0.58 -2.42 115.58 111.85 3hnk h ASN 99 Ca 0.06 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 3hnk h ASN 99 Cb 0.49 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 3hnk h ASN 99 CO -0.23 0.45 0.27 0.00 -1.06 0.00 0.00 177.43 176.85 3hnk h ALA 100 N 1.23 0.90 -0.14 -0.83 0.00 -1.02 -0.56 119.26 118.85 3hnk h ALA 100 Ca 0.22 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3hnk h ALA 100 Cb -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hnk h ALA 100 CO -0.07 0.53 -0.49 0.00 0.00 0.00 0.00 179.25 179.22 3hnk h HIS 102 N 0.21 0.52 -0.92 0.00 -0.00 -1.31 0.10 115.15 113.75 3hnk h HIS 102 Ca -0.02 0.03 0.26 0.00 -0.00 0.00 0.00 60.37 60.64 3hnk h HIS 102 Cb 1.12 -0.14 -0.14 0.00 -0.00 0.00 0.00 27.41 28.24 3hnk h HIS 102 CO 0.10 0.21 0.36 0.37 -0.00 0.00 0.00 177.93 178.97 3hnk h GLN 103 N 0.53 0.26 0.09 2.45 4.15 -1.10 -1.89 115.11 119.59 3hnk h GLN 103 Ca 0.29 -0.02 -0.36 0.00 0.77 0.00 0.00 58.65 59.33 3hnk h GLN 103 Cb 0.27 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3hnk h GLN 103 CO -0.23 0.17 -2.03 1.63 -1.93 0.00 0.00 178.83 176.44 3hnk n LYS 104 N -5.15 0.72 0.00 1.69 5.02 -0.81 -4.79 118.16 114.83 3hnk n LYS 104 Ca 0.25 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 3hnk n LYS 104 Cb 0.78 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3hnk n LYS 104 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hnk n TYR 105 N -3.55 0.00 1.96 2.13 0.53 0.30 -5.12 117.16 113.41 3hnk n TYR 105 Ca -0.35 0.00 0.16 0.00 -1.02 0.00 0.00 57.90 56.69 3hnk n TYR 105 Cb 1.00 0.00 0.92 0.00 -1.03 0.00 0.00 39.34 40.23 3hnk n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71