#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf4 s VAL 2 N 0.00 3.80 0.49 3.15 1.01 -1.26 -0.90 120.40 126.69 1hf4 s VAL 2 Ca 0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 1hf4 s VAL 2 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1hf4 s VAL 2 CO 0.00 -0.26 1.12 -0.36 0.00 0.00 0.00 175.10 175.60 1hf4 s PHE 3 N 1.39 2.85 0.11 5.22 0.08 -0.56 -5.01 117.98 122.06 1hf4 s PHE 3 Ca -0.00 1.56 -0.17 0.00 0.12 0.00 0.00 56.93 58.43 1hf4 s PHE 3 Cb -0.20 -3.27 -0.07 0.00 -0.57 0.00 0.00 43.02 38.91 1hf4 s PHE 3 CO 0.02 -1.33 0.57 0.20 -0.10 0.00 0.00 175.22 174.57 1hf4 s GLY 4 N -1.65 2.57 0.16 4.36 0.00 -1.26 -4.83 107.32 106.67 1hf4 s GLY 4 Ca 0.67 -0.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.06 1hf4 s GLY 4 CO 0.28 0.32 1.54 -0.09 0.00 0.00 0.00 173.10 175.15 1hf4 h ARG 5 N 4.04 -0.07 0.00 2.90 2.43 -1.96 0.18 114.38 121.89 1hf4 h ARG 5 Ca -0.49 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.58 1hf4 h ARG 5 Cb 1.20 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1hf4 h ARG 5 CO 0.64 -0.04 -0.48 0.00 -1.51 0.00 0.00 179.97 178.58 1hf4 h GLU 7 N 0.00 0.66 -0.28 0.00 4.81 -1.64 -0.06 114.58 118.06 1hf4 h GLU 7 Ca -0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1hf4 h GLU 7 Cb 1.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1hf4 h GLU 7 CO 0.06 0.63 -0.03 1.25 -0.73 0.00 0.00 179.01 180.19 1hf4 h LEU 8 N 0.55 0.52 -0.68 1.64 5.85 -0.51 -1.96 115.31 120.72 1hf4 h LEU 8 Ca 0.14 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1hf4 h LEU 8 Cb 0.23 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1hf4 h LEU 8 CO -0.01 0.73 0.32 0.00 -0.34 0.00 0.00 178.44 179.15 1hf4 h ALA 9 N 0.80 0.93 -0.31 1.25 0.00 -1.08 0.15 119.26 121.00 1hf4 h ALA 9 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1hf4 h ALA 9 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1hf4 h ALA 9 CO 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 179.25 179.31 1hf4 h ALA 10 N 1.42 0.40 -0.53 0.00 0.00 -0.87 -0.65 119.26 119.03 1hf4 h ALA 10 Ca 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1hf4 h ALA 10 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1hf4 h ALA 10 CO -0.27 0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.34 1hf4 h ALA 11 N 0.96 0.67 -0.37 0.00 0.00 -0.54 -1.32 119.26 118.65 1hf4 h ALA 11 Ca 0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1hf4 h ALA 11 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1hf4 h ALA 11 CO -0.01 0.11 -0.12 0.52 0.00 0.00 0.00 179.25 179.75 1hf4 h MET 12 N 0.71 0.66 -0.65 0.00 2.86 -0.58 -2.13 114.93 115.81 1hf4 h MET 12 Ca 0.20 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1hf4 h MET 12 Cb -0.08 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1hf4 h MET 12 CO -0.05 0.77 0.09 -0.22 1.06 0.00 0.00 176.91 178.56 1hf4 h LYS 13 N 0.60 1.09 -0.64 1.72 3.64 -0.69 -1.88 116.57 120.41 1hf4 h LYS 13 Ca 0.10 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1hf4 h LYS 13 Cb 0.56 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1hf4 h LYS 13 CO 0.04 1.01 0.30 0.00 -2.27 0.00 0.00 179.45 178.52 1hf4 h ARG 14 N 1.01 0.91 -0.56 1.90 3.08 -0.90 -2.50 114.38 117.31 1hf4 h ARG 14 Ca 0.20 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1hf4 h ARG 14 Cb 0.46 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1hf4 h ARG 14 CO 0.02 0.71 0.00 0.72 -1.07 0.00 0.00 179.97 180.34 1hf4 n HIS 15 N -4.34 0.36 -1.63 3.04 8.25 -0.83 -4.92 115.22 115.14 1hf4 n HIS 15 Ca 0.06 -0.14 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1hf4 n HIS 15 Cb 0.14 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1hf4 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hf4 n GLY 16 N 0.43 0.67 0.18 -1.41 0.00 -0.94 -4.95 105.19 99.18 1hf4 n GLY 16 Ca 0.06 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.64 1hf4 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hf4 h LEU 17 N 0.00 0.00 -8.99 0.99 3.38 -1.56 -3.39 115.31 105.74 1hf4 h LEU 17 Ca -0.21 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.19 1hf4 h LEU 17 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1hf4 h LEU 17 CO 0.28 0.04 1.28 -0.62 0.09 0.00 0.00 178.44 179.51 1hf4 s ASP 18 N -5.98 5.99 -0.42 -0.43 2.15 -1.26 -1.85 116.67 114.87 1hf4 s ASP 18 Ca 0.05 1.67 0.00 0.00 0.43 0.00 0.00 52.55 54.70 1hf4 s ASP 18 Cb 0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1hf4 s ASP 18 CO 0.71 -1.57 0.00 0.59 -0.17 0.00 0.00 175.17 174.73 1hf4 n ASN 19 N 9.79 -4.18 -4.67 -0.34 3.02 0.10 -4.84 115.26 114.14 1hf4 n ASN 19 Ca 0.23 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 1hf4 n ASN 19 Cb 0.45 -2.03 -0.03 0.00 -0.61 0.00 0.00 39.78 37.56 1hf4 n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1hf4 s TYR 20 N -1.92 2.25 -1.64 3.10 5.04 -0.77 -1.31 117.35 122.10 1hf4 s TYR 20 Ca 0.00 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1hf4 s TYR 20 Cb 0.00 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1hf4 s TYR 20 CO 0.00 -3.67 0.00 -2.13 -1.34 0.00 0.00 175.55 168.41 1hf4 n ARG 21 N 6.34 -1.10 -0.68 4.97 3.00 -1.26 -1.74 116.66 126.19 1hf4 n ARG 21 Ca 0.16 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 59.05 1hf4 n ARG 21 Cb 0.42 -5.21 0.00 0.00 0.00 0.00 0.00 32.46 27.67 1hf4 n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hf4 n GLY 22 N -1.03 0.73 3.46 5.14 0.00 -0.43 -5.03 105.19 108.02 1hf4 n GLY 22 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1hf4 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hf4 s TYR 23 N -2.51 3.23 0.84 1.61 2.02 -0.71 -4.90 117.35 116.94 1hf4 s TYR 23 Ca 0.00 -0.58 -0.13 0.00 -0.37 0.00 0.00 57.07 55.99 1hf4 s TYR 23 Cb 0.00 -2.64 0.06 0.00 -0.40 0.00 0.00 41.96 38.98 1hf4 s TYR 23 CO 0.00 -0.61 0.90 -1.13 -1.57 0.00 0.00 175.55 173.14 1hf4 n SER 24 N 5.21 -0.16 -0.34 2.29 3.41 -1.26 -0.72 113.62 122.05 1hf4 n SER 24 Ca -0.11 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.11 1hf4 n SER 24 Cb 0.47 -1.39 0.29 0.00 -0.26 0.00 0.00 64.21 63.33 1hf4 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1hf4 h LEU 25 N -1.10 0.83 -1.42 1.04 5.85 -1.89 -1.08 115.31 117.53 1hf4 h LEU 25 Ca -0.45 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.44 1hf4 h LEU 25 Cb 1.30 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1hf4 h LEU 25 CO 0.42 0.40 0.51 1.23 -0.34 0.00 0.00 178.44 180.66 1hf4 h GLY 26 N 0.87 0.94 0.99 3.75 0.00 -1.90 -1.12 103.07 106.60 1hf4 h GLY 26 Ca 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1hf4 h GLY 26 CO -0.28 0.13 0.30 3.43 0.00 0.00 0.00 176.54 180.12 1hf4 h ASN 27 N 0.62 0.79 -0.43 0.19 2.35 -1.42 -0.87 115.58 116.81 1hf4 h ASN 27 Ca 0.37 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 1hf4 h ASN 27 Cb 0.59 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1hf4 h ASN 27 CO -0.14 0.69 -0.19 -0.50 -1.65 0.00 0.00 177.43 175.64 1hf4 h TRP 28 N 0.83 1.02 -0.42 1.19 4.06 -1.26 -0.57 115.95 120.80 1hf4 h TRP 28 Ca 0.21 -0.25 -0.11 0.00 2.06 0.00 0.00 58.89 60.80 1hf4 h TRP 28 Cb 0.10 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 1hf4 h TRP 28 CO -0.00 1.03 -0.18 0.28 -3.56 0.00 0.00 178.44 176.01 1hf4 h VAL 29 N 0.71 1.28 -0.60 1.49 2.07 -1.24 -1.32 116.25 118.63 1hf4 h VAL 29 Ca 0.10 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1hf4 h VAL 29 Cb 0.75 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1hf4 h VAL 29 CO 0.06 0.44 0.33 0.00 0.02 0.00 0.00 177.57 178.43 1hf4 h ALA 31 N 1.16 0.14 -0.77 0.00 0.00 -0.91 -2.22 119.26 116.66 1hf4 h ALA 31 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1hf4 h ALA 31 Cb 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1hf4 h ALA 31 CO -0.03 -0.34 0.46 0.00 0.00 0.00 0.00 179.25 179.33 1hf4 h ALA 32 N 1.00 1.37 0.04 0.00 0.00 -0.98 0.08 119.26 120.77 1hf4 h ALA 32 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hf4 h ALA 32 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1hf4 h ALA 32 CO -0.01 0.55 -0.02 -0.22 0.00 0.00 0.00 179.25 179.55 1hf4 h LYS 33 N 1.06 -0.05 0.00 0.00 1.63 -0.69 -1.87 116.57 116.65 1hf4 h LYS 33 Ca 0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1hf4 h LYS 33 Cb -0.04 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1hf4 h LYS 33 CO -0.05 -0.00 -0.26 0.74 -3.45 0.00 0.00 179.45 176.43 1hf4 h PHE 34 N -0.08 0.00 0.10 1.91 0.04 -1.20 0.18 116.94 117.90 1hf4 h PHE 34 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1hf4 h PHE 34 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1hf4 h PHE 34 CO -0.07 0.00 -1.19 0.93 -0.60 0.00 0.00 178.31 177.38 1hf4 h GLU 35 N 0.00 0.22 0.00 1.51 4.39 -0.95 -3.43 114.58 116.32 1hf4 h GLU 35 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1hf4 h GLU 35 Cb 0.86 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1hf4 h GLU 35 CO 0.00 1.18 0.00 -1.13 -1.16 0.00 0.00 179.01 177.90 1hf4 n SER 36 N -4.05 0.31 -3.53 1.42 3.41 -0.74 -4.85 113.62 105.58 1hf4 n SER 36 Ca -0.22 -0.80 -0.23 0.00 -0.26 0.00 0.00 58.87 57.36 1hf4 n SER 36 Cb 0.84 0.11 0.08 0.00 -0.26 0.00 0.00 64.21 64.98 1hf4 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1hf4 n ASN 37 N -0.11 -5.92 -1.25 4.04 5.15 0.05 -1.75 115.26 115.48 1hf4 n ASN 37 Ca 0.00 -0.54 -0.16 0.00 -0.60 0.00 0.00 54.58 53.28 1hf4 n ASN 37 Cb 0.11 -4.97 -0.07 0.00 -0.53 0.00 0.00 39.78 34.32 1hf4 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1hf4 n PHE 38 N -4.89 0.00 -3.38 1.20 3.72 -1.18 -4.88 117.46 108.05 1hf4 n PHE 38 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1hf4 n PHE 38 Cb 0.57 -3.11 -0.09 0.00 -0.94 0.00 0.00 39.48 35.90 1hf4 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1hf4 s ASN 39 N -2.63 6.18 0.58 4.37 3.84 -0.72 -1.49 114.94 125.07 1hf4 s ASN 39 Ca 0.00 -0.39 0.35 0.00 0.21 0.00 0.00 52.86 53.03 1hf4 s ASN 39 Cb 0.00 -2.20 1.71 0.00 -0.55 0.00 0.00 41.25 40.21 1hf4 s ASN 39 CO 0.00 -0.41 2.12 0.71 -2.79 0.00 0.00 177.10 176.73 1hf4 h THR 40 N 5.60 0.15 -0.58 -5.21 1.35 -1.34 -2.42 112.91 110.47 1hf4 h THR 40 Ca -0.29 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1hf4 h THR 40 Cb 1.13 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1hf4 h THR 40 CO 0.72 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1hf4 n GLN 41 N -3.22 2.49 -1.94 4.72 6.02 -1.26 -4.04 117.38 120.16 1hf4 n GLN 41 Ca -0.01 -2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 54.42 1hf4 n GLN 41 Cb 0.22 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 1hf4 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hf4 s ALA 42 N -1.31 3.74 -0.01 -1.58 0.00 -0.91 -4.80 121.76 116.90 1hf4 s ALA 42 Ca 0.39 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.75 1hf4 s ALA 42 Cb 0.21 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1hf4 s ALA 42 CO 0.25 -0.79 -0.04 0.95 0.00 0.00 0.00 175.76 176.14 1hf4 s THR 43 N 0.74 0.31 -0.14 0.00 -4.23 -1.26 0.22 115.64 111.27 1hf4 s THR 43 Ca 0.67 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1hf4 s THR 43 Cb -0.44 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.16 1hf4 s THR 43 CO 0.36 0.10 0.02 0.21 -0.54 0.00 0.00 174.62 174.78 1hf4 s ASN 44 N 0.09 2.29 -0.14 3.99 2.47 -0.12 -4.96 114.94 118.55 1hf4 s ASN 44 Ca -0.01 -0.48 -0.28 0.00 0.42 0.00 0.00 52.86 52.51 1hf4 s ASN 44 Cb -0.04 -0.50 -0.01 0.00 -1.45 0.00 0.00 41.25 39.25 1hf4 s ASN 44 CO -0.00 -0.26 0.95 -0.13 -3.72 0.00 0.00 177.10 173.93 1hf4 s ARG 45 N 1.93 4.36 0.57 0.43 1.81 -1.26 0.17 118.95 126.95 1hf4 s ARG 45 Ca 0.02 1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 55.26 1hf4 s ARG 45 Cb -0.15 -3.56 0.03 0.00 -0.45 0.00 0.00 34.95 30.82 1hf4 s ARG 45 CO -0.07 -0.35 0.82 -0.80 -0.68 0.00 0.00 175.30 174.22 1hf4 s ASN 46 N 1.12 5.36 0.28 0.23 0.01 0.19 -4.98 114.94 117.16 1hf4 s ASN 46 Ca 0.44 0.28 0.26 0.00 -0.71 0.00 0.00 52.86 53.12 1hf4 s ASN 46 Cb -0.17 -1.21 0.78 0.00 0.41 0.00 0.00 41.25 41.05 1hf4 s ASN 46 CO 0.15 -1.12 1.75 0.71 -1.51 0.00 0.00 177.10 177.07 1hf4 h THR 47 N -0.04 0.00 -0.27 1.60 1.35 -1.97 -3.25 112.91 110.33 1hf4 h THR 47 Ca -0.44 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1hf4 h THR 47 Cb 1.28 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1hf4 h THR 47 CO 0.56 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.93 1hf4 n ASP 48 N -2.46 1.50 0.00 5.36 5.68 -1.26 -4.89 116.55 120.48 1hf4 n ASP 48 Ca 0.04 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1hf4 n ASP 48 Cb 0.41 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1hf4 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hf4 n GLY 49 N 0.96 1.80 3.95 6.12 0.00 -1.23 -4.86 105.19 111.94 1hf4 n GLY 49 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1hf4 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hf4 s SER 50 N -1.69 4.96 -0.01 1.61 1.04 -1.26 -4.47 113.70 113.88 1hf4 s SER 50 Ca 0.00 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 1hf4 s SER 50 Cb 0.00 -0.93 -0.00 0.00 0.10 0.00 0.00 66.02 65.18 1hf4 s SER 50 CO 0.00 -1.44 0.04 -0.89 0.98 0.00 0.00 173.24 171.93 1hf4 s THR 51 N -3.05 0.04 -0.14 2.02 2.01 -1.26 -0.63 115.64 114.63 1hf4 s THR 51 Ca 0.59 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 1hf4 s THR 51 Cb -0.10 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 1hf4 s THR 51 CO 0.42 -0.19 0.27 -1.81 -0.69 0.00 0.00 174.62 172.62 1hf4 s ASP 52 N -0.58 6.44 -0.02 3.53 1.01 0.13 -1.23 116.67 125.95 1hf4 s ASP 52 Ca -0.06 0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.78 1hf4 s ASP 52 Cb -0.04 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1hf4 s ASP 52 CO -0.00 0.17 -0.21 -0.31 0.21 0.00 0.00 175.17 175.03 1hf4 s TYR 53 N 0.09 1.89 0.00 4.23 1.51 0.38 -0.95 117.35 124.50 1hf4 s TYR 53 Ca 0.16 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1hf4 s TYR 53 Cb -0.13 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1hf4 s TYR 53 CO 0.04 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1hf4 n GLY 54 N 2.61 -1.74 0.28 0.71 0.00 0.13 -1.30 105.19 105.88 1hf4 n GLY 54 Ca -0.15 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.66 1hf4 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hf4 h ILE 55 N 0.00 0.74 -0.25 -0.61 2.10 -1.70 -1.67 117.51 116.12 1hf4 h ILE 55 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1hf4 h ILE 55 Cb 0.00 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1hf4 h ILE 55 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.26 1hf4 n LEU 56 N -4.13 2.93 -3.96 2.19 4.77 -1.26 -4.04 117.00 113.50 1hf4 n LEU 56 Ca -0.03 -2.28 -0.36 0.00 -0.03 0.00 0.00 56.01 53.31 1hf4 n LEU 56 Cb 0.10 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1hf4 n LEU 56 CO 0.31 0.68 -0.19 0.00 -1.33 0.00 0.00 177.39 176.85 1hf4 n GLN 57 N -0.00 -1.23 -2.46 3.23 1.13 -0.63 -4.91 117.38 112.51 1hf4 n GLN 57 Ca 0.12 0.26 -0.42 0.00 -1.94 0.00 0.00 57.00 55.02 1hf4 n GLN 57 Cb 0.51 -3.55 -0.03 0.00 0.11 0.00 0.00 30.24 27.27 1hf4 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hf4 s ILE 58 N -3.71 4.06 0.14 5.09 1.01 -0.42 -4.32 121.20 123.05 1hf4 s ILE 58 Ca 0.33 1.53 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 1hf4 s ILE 58 Cb -0.15 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 1hf4 s ILE 58 CO 0.93 0.15 0.92 0.21 0.00 0.00 0.00 174.94 177.15 1hf4 s ASN 59 N 0.80 7.50 0.00 3.58 3.84 -1.26 -0.47 114.94 128.94 1hf4 s ASN 59 Ca 0.56 1.79 0.23 0.00 0.21 0.00 0.00 52.86 55.66 1hf4 s ASN 59 Cb -0.29 -2.58 1.06 0.00 -0.55 0.00 0.00 41.25 38.90 1hf4 s ASN 59 CO 0.30 0.03 1.76 -1.54 -2.79 0.00 0.00 177.10 174.86 1hf4 n SER 60 N 2.33 0.00 0.16 -4.21 3.41 -0.36 -2.50 113.62 112.44 1hf4 n SER 60 Ca 0.00 0.33 0.02 0.00 -0.26 0.00 0.00 58.87 58.95 1hf4 n SER 60 Cb 0.49 -0.43 0.24 0.00 -0.26 0.00 0.00 64.21 64.25 1hf4 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1hf4 h ARG 61 N 0.00 0.00 0.00 4.33 2.43 -1.85 -3.40 114.38 115.89 1hf4 h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1hf4 h ARG 61 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1hf4 h ARG 61 CO 0.00 0.51 -0.31 0.91 -1.51 0.00 0.00 179.97 179.58 1hf4 n TRP 62 N -3.71 0.00 -0.08 2.20 8.01 -1.23 0.32 117.44 122.94 1hf4 n TRP 62 Ca -0.01 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 1hf4 n TRP 62 Cb 0.57 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.71 1hf4 n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1hf4 n TRP 63 N -0.74 0.00 -3.89 -5.99 7.02 -1.04 -0.24 117.44 112.55 1hf4 n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1hf4 n TRP 63 Cb 0.09 -0.90 -0.09 0.00 -2.42 0.00 0.00 31.31 28.00 1hf4 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hf4 s ASN 65 N -2.34 6.14 0.00 0.00 3.04 -0.65 -4.54 114.94 116.60 1hf4 s ASN 65 Ca -0.02 0.14 0.07 0.00 0.04 0.00 0.00 52.86 53.09 1hf4 s ASN 65 Cb 0.01 -2.17 0.15 0.00 -1.54 0.00 0.00 41.25 37.70 1hf4 s ASN 65 CO -0.06 -0.12 1.01 -0.90 -3.04 0.00 0.00 177.10 173.99 1hf4 n ASP 66 N 5.20 2.24 -0.06 -4.21 5.75 -1.26 -1.26 116.55 122.95 1hf4 n ASP 66 Ca -0.11 -1.75 -0.01 0.00 -0.01 0.00 0.00 54.79 52.91 1hf4 n ASP 66 Cb 0.51 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1hf4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hf4 n GLY 67 N 0.24 0.15 0.14 6.12 0.00 -1.26 -4.77 105.19 105.81 1hf4 n GLY 67 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1hf4 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hf4 n ARG 68 N 0.28 0.65 -3.83 1.61 1.85 -1.26 -5.03 116.66 110.92 1hf4 n ARG 68 Ca -0.01 -1.02 -0.36 0.00 -1.00 0.00 0.00 57.85 55.46 1hf4 n ARG 68 Cb 0.43 -0.69 -0.13 0.00 -1.05 0.00 0.00 32.46 31.02 1hf4 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1hf4 s THR 69 N -0.47 3.53 0.29 8.89 2.01 -1.26 -4.85 115.64 123.78 1hf4 s THR 69 Ca 0.03 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1hf4 s THR 69 Cb 0.03 -2.85 -0.12 0.00 0.01 0.00 0.00 72.50 69.57 1hf4 s THR 69 CO 0.00 0.07 1.58 -2.65 -0.69 0.00 0.00 174.62 172.94 1hf4 n PRO 70 N 4.78 2.67 -3.82 4.92 -0.02 -1.26 -2.69 135.00 139.58 1hf4 n PRO 70 Ca -0.15 0.95 -0.28 0.00 -2.02 0.00 0.00 63.50 62.00 1hf4 n PRO 70 Cb 0.47 -2.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1hf4 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hf4 n GLY 71 N 2.10 -0.51 3.84 -1.23 0.00 -1.26 -4.96 105.19 103.16 1hf4 n GLY 71 Ca 0.08 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 1hf4 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hf4 s SER 72 N -3.31 6.82 0.24 1.61 1.04 -1.10 -4.93 113.70 114.08 1hf4 s SER 72 Ca 0.64 0.99 0.05 0.00 0.48 0.00 0.00 55.95 58.11 1hf4 s SER 72 Cb -0.31 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1hf4 s SER 72 CO 0.80 0.29 0.33 -0.13 0.98 0.00 0.00 173.24 175.51 1hf4 s ARG 73 N -1.22 3.34 -0.55 4.02 1.81 0.15 -4.95 118.95 121.55 1hf4 s ARG 73 Ca 0.26 -0.81 0.07 0.00 -1.72 0.00 0.00 55.73 53.53 1hf4 s ARG 73 Cb -0.17 -2.83 0.28 0.00 -0.45 0.00 0.00 34.95 31.78 1hf4 s ARG 73 CO 0.15 0.43 0.74 -1.71 -0.68 0.00 0.00 175.30 174.23 1hf4 n ASN 74 N -1.33 2.89 0.25 0.23 4.05 -1.21 -3.56 115.26 116.57 1hf4 n ASN 74 Ca -0.09 -3.30 0.07 0.00 0.45 0.00 0.00 54.58 51.71 1hf4 n ASN 74 Cb 0.57 -0.63 0.59 0.00 1.23 0.00 0.00 39.78 41.53 1hf4 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1hf4 h LEU 75 N 3.75 0.00 -0.51 1.20 3.38 -0.66 -1.70 115.31 120.77 1hf4 h LEU 75 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1hf4 h LEU 75 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1hf4 h LEU 75 CO 0.72 0.08 -0.27 0.00 0.09 0.00 0.00 178.44 179.06 1hf4 n ASN 77 N -0.64 -1.78 -3.81 0.00 5.15 -0.64 -5.02 115.26 108.53 1hf4 n ASN 77 Ca 0.12 -0.76 -0.11 0.00 -0.60 0.00 0.00 54.58 53.22 1hf4 n ASN 77 Cb 0.35 -4.31 -0.08 0.00 -0.53 0.00 0.00 39.78 35.21 1hf4 n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1hf4 s ILE 78 N -3.57 0.09 0.36 -1.44 -0.00 -1.26 -5.07 121.20 110.31 1hf4 s ILE 78 Ca 0.07 -0.71 -0.26 0.00 -0.00 0.00 0.00 60.65 59.75 1hf4 s ILE 78 Cb -0.03 -0.78 -0.09 0.00 -0.00 0.00 0.00 42.46 41.55 1hf4 s ILE 78 CO 0.79 -0.39 1.09 -2.16 -0.00 0.00 0.00 174.94 174.27 1hf4 s PRO 79 N -2.11 4.28 0.60 0.37 0.04 -1.26 -1.63 135.00 135.28 1hf4 s PRO 79 Ca -0.08 1.67 0.31 0.00 0.04 0.00 0.00 61.00 62.93 1hf4 s PRO 79 Cb -0.03 -2.76 1.81 0.00 0.04 0.00 0.00 34.50 33.56 1hf4 s PRO 79 CO -0.01 -0.08 2.19 0.00 0.04 0.00 0.00 177.00 179.14 1hf4 h SER 81 N 0.00 0.00 0.83 0.00 4.64 -1.91 -1.51 113.55 115.61 1hf4 h SER 81 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1hf4 h SER 81 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1hf4 h SER 81 CO -0.00 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1hf4 h ALA 82 N 1.87 1.00 -0.09 5.18 0.00 -1.51 -1.96 119.26 123.74 1hf4 h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hf4 h ALA 82 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hf4 h ALA 82 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1hf4 n LEU 83 N -3.05 1.03 -0.83 0.00 4.77 -0.57 -3.51 117.00 114.85 1hf4 n LEU 83 Ca 0.00 -0.42 0.08 0.00 -0.03 0.00 0.00 56.01 55.64 1hf4 n LEU 83 Cb 0.26 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.46 1hf4 n LEU 83 CO 0.26 0.21 0.62 0.18 -1.33 0.00 0.00 177.39 177.32 1hf4 n LEU 84 N -0.12 2.98 -4.82 2.23 4.77 -0.74 -3.84 117.00 117.47 1hf4 n LEU 84 Ca 0.16 -1.62 -0.32 0.00 -0.03 0.00 0.00 56.01 54.20 1hf4 n LEU 84 Cb 0.23 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1hf4 n LEU 84 CO 0.13 0.68 0.71 -0.94 -1.33 0.00 0.00 177.39 176.64 1hf4 s SER 85 N -1.13 5.75 0.43 -1.43 1.04 -1.23 -4.33 113.70 112.80 1hf4 s SER 85 Ca 0.28 1.67 0.20 0.00 0.48 0.00 0.00 55.95 58.59 1hf4 s SER 85 Cb 0.16 -2.51 0.97 0.00 0.10 0.00 0.00 66.02 64.74 1hf4 s SER 85 CO 0.22 -1.19 1.88 0.28 0.98 0.00 0.00 173.24 175.41 1hf4 h SER 86 N -0.05 0.00 -3.32 7.02 0.02 -1.93 -3.41 113.55 111.88 1hf4 h SER 86 Ca -0.45 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.95 1hf4 h SER 86 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1hf4 h SER 86 CO 0.58 0.27 0.47 -0.62 -1.14 0.00 0.00 176.83 176.40 1hf4 s ASP 87 N -6.47 7.28 0.00 3.07 2.15 -1.26 -4.95 116.67 116.49 1hf4 s ASP 87 Ca -0.02 1.56 0.28 0.00 0.43 0.00 0.00 52.55 54.81 1hf4 s ASP 87 Cb 0.13 -2.55 1.10 0.00 -0.30 0.00 0.00 42.92 41.29 1hf4 s ASP 87 CO 0.66 -0.36 1.77 2.30 -0.17 0.00 0.00 175.17 179.37 1hf4 n ILE 88 N 4.28 0.00 -0.22 4.11 -5.35 -1.26 -4.53 119.36 116.39 1hf4 n ILE 88 Ca 0.07 -0.17 -0.04 0.00 -0.27 0.00 0.00 62.75 62.34 1hf4 n ILE 88 Cb 0.50 0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.71 1hf4 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1hf4 h THR 89 N 1.61 0.19 -0.30 7.28 2.02 -1.94 -0.29 112.91 121.48 1hf4 h THR 89 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1hf4 h THR 89 Cb 0.43 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1hf4 h THR 89 CO 0.00 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.06 1hf4 h ALA 90 N 1.15 0.38 -0.55 6.16 0.00 -1.87 -1.23 119.26 123.30 1hf4 h ALA 90 Ca 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1hf4 h ALA 90 Cb 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1hf4 h ALA 90 CO -0.70 -0.20 0.27 0.77 0.00 0.00 0.00 179.25 179.40 1hf4 h SER 91 N 0.36 0.70 -0.07 0.00 0.02 -1.68 -1.75 113.55 111.13 1hf4 h SER 91 Ca 0.12 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1hf4 h SER 91 Cb 0.01 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1hf4 h SER 91 CO -0.06 0.62 0.03 0.58 -1.14 0.00 0.00 176.83 176.87 1hf4 h VAL 92 N 0.73 1.11 -0.86 2.27 2.07 -0.84 0.12 116.25 120.85 1hf4 h VAL 92 Ca 0.19 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1hf4 h VAL 92 Cb 0.10 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1hf4 h VAL 92 CO -0.03 0.09 0.50 0.78 0.02 0.00 0.00 177.57 178.94 1hf4 h ASN 93 N -0.01 1.05 -0.15 0.57 2.35 -1.17 -1.02 115.58 117.20 1hf4 h ASN 93 Ca 0.02 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.51 1hf4 h ASN 93 Cb 0.12 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1hf4 h ASN 93 CO -0.00 0.82 -0.60 0.00 -1.65 0.00 0.00 177.43 176.00 1hf4 h ALA 95 N 0.75 1.63 -0.29 0.00 0.00 -0.31 -1.11 119.26 119.93 1hf4 h ALA 95 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1hf4 h ALA 95 Cb 1.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hf4 h ALA 95 CO 0.13 0.29 0.03 0.87 0.00 0.00 0.00 179.25 180.56 1hf4 h LYS 96 N 0.39 0.43 0.05 0.00 1.57 -1.01 -0.30 116.57 117.68 1hf4 h LYS 96 Ca 0.09 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 1hf4 h LYS 96 Cb 0.13 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.39 1hf4 h LYS 96 CO -0.01 0.43 -0.97 0.87 -0.57 0.00 0.00 179.45 179.21 1hf4 h LYS 97 N 0.42 0.57 -0.29 3.15 1.57 -1.21 -3.21 116.57 117.57 1hf4 h LYS 97 Ca 0.10 -0.68 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 1hf4 h LYS 97 Cb 0.23 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1hf4 h LYS 97 CO 0.00 1.28 0.16 0.82 -0.57 0.00 0.00 179.45 181.14 1hf4 h ILE 98 N 0.17 1.13 0.00 1.86 2.04 -0.85 -2.63 117.51 119.22 1hf4 h ILE 98 Ca -0.13 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1hf4 h ILE 98 Cb 1.65 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1hf4 h ILE 98 CO 0.19 0.13 -0.01 1.62 0.00 0.00 0.00 178.15 180.07 1hf4 h VAL 99 N 0.35 0.05 -0.28 1.67 3.04 -1.18 -1.51 116.25 118.39 1hf4 h VAL 99 Ca 0.10 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1hf4 h VAL 99 Cb 0.06 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1hf4 h VAL 99 CO -0.02 0.01 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1hf4 n SER 100 N -3.13 2.62 -0.77 3.17 7.64 -1.02 -3.27 113.62 118.86 1hf4 n SER 100 Ca -0.01 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.01 1hf4 n SER 100 Cb 0.23 -0.18 0.06 0.00 -1.01 0.00 0.00 64.21 63.31 1hf4 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1hf4 n ASP 101 N 0.95 1.90 0.00 6.43 2.03 -0.57 -4.85 116.55 122.45 1hf4 n ASP 101 Ca 0.18 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1hf4 n ASP 101 Cb 0.48 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1hf4 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hf4 n GLY 102 N 0.12 0.63 0.00 0.27 0.00 -1.26 -4.90 105.19 100.05 1hf4 n GLY 102 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1hf4 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hf4 n ASN 103 N 0.00 0.55 0.00 1.61 3.02 -1.26 -5.12 115.26 114.06 1hf4 n ASN 103 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1hf4 n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1hf4 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hf4 n GLY 104 N -0.11 2.77 0.00 7.41 0.00 -1.20 -1.71 105.19 112.36 1hf4 n GLY 104 Ca 0.00 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.85 1hf4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hf4 n MET 105 N 14.00 0.66 0.10 1.61 2.81 -1.26 -3.41 117.12 131.63 1hf4 n MET 105 Ca 0.00 0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 1hf4 n MET 105 Cb 0.00 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.39 1hf4 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1hf4 n ASN 106 N -1.16 0.37 0.28 7.83 3.02 -0.69 -1.41 115.26 123.49 1hf4 n ASN 106 Ca 0.18 0.65 0.14 0.00 -0.03 0.00 0.00 54.58 55.52 1hf4 n ASN 106 Cb 0.18 -0.71 0.81 0.00 -0.61 0.00 0.00 39.78 39.45 1hf4 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hf4 h ALA 107 N 2.09 1.41 -2.49 5.41 0.00 -1.71 -3.37 119.26 120.59 1hf4 h ALA 107 Ca 0.00 -0.06 -0.73 0.00 0.00 0.00 0.00 54.91 54.12 1hf4 h ALA 107 Cb 0.08 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.63 1hf4 h ALA 107 CO 0.00 0.08 -0.40 -1.58 0.00 0.00 0.00 179.25 177.35 1hf4 s TRP 108 N -4.41 3.25 0.26 0.00 0.51 -0.50 -4.97 118.94 113.08 1hf4 s TRP 108 Ca -0.04 -0.90 -0.03 0.00 -2.12 0.00 0.00 56.10 53.01 1hf4 s TRP 108 Cb 0.14 -2.87 0.37 0.00 -0.81 0.00 0.00 33.47 30.30 1hf4 s TRP 108 CO 0.57 -0.72 1.90 -0.39 -0.51 0.00 0.00 176.95 177.80 1hf4 h VAL 109 N 5.77 1.14 -0.13 4.03 -1.51 -1.85 -1.48 116.25 122.21 1hf4 h VAL 109 Ca -0.27 -0.42 -0.08 0.00 -1.23 0.00 0.00 66.70 64.70 1hf4 h VAL 109 Cb 1.11 -0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1hf4 h VAL 109 CO 0.79 0.23 -0.28 0.00 -1.23 0.00 0.00 177.57 177.08 1hf4 h ALA 110 N 1.43 1.29 -0.20 5.19 0.00 -1.93 -0.09 119.26 124.95 1hf4 h ALA 110 Ca 0.41 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1hf4 h ALA 110 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1hf4 h ALA 110 CO -0.14 0.48 -0.08 2.35 0.00 0.00 0.00 179.25 181.86 1hf4 h TRP 111 N 0.22 0.48 -0.77 0.00 7.01 -1.61 -0.51 115.95 120.76 1hf4 h TRP 111 Ca 0.03 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.88 1hf4 h TRP 111 Cb 0.61 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 1hf4 h TRP 111 CO 0.01 0.70 0.33 -0.09 -2.79 0.00 0.00 178.44 176.60 1hf4 h ARG 112 N 0.12 1.13 0.00 2.65 1.12 -1.01 0.24 114.38 118.62 1hf4 h ARG 112 Ca 0.05 -0.19 -0.21 0.00 -1.11 0.00 0.00 59.98 58.52 1hf4 h ARG 112 Cb 0.56 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 1hf4 h ARG 112 CO 0.03 0.90 -1.03 -0.91 -3.11 0.00 0.00 179.97 175.85 1hf4 h ASN 113 N 1.11 0.00 0.00 -3.80 2.35 -0.97 -3.36 115.58 110.91 1hf4 h ASN 113 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1hf4 h ASN 113 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1hf4 h ASN 113 CO -0.03 0.97 0.00 0.54 -1.65 0.00 0.00 177.43 177.26 1hf4 n ARG 114 N -3.32 1.24 0.00 0.81 1.74 -0.21 -4.89 116.66 112.04 1hf4 n ARG 114 Ca -0.01 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 1hf4 n ARG 114 Cb 0.94 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 1hf4 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hf4 n LYS 116 N -2.29 1.96 -0.51 0.00 4.81 0.53 -1.80 118.16 120.85 1hf4 n LYS 116 Ca 0.00 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1hf4 n LYS 116 Cb 0.41 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1hf4 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hf4 n GLY 117 N 3.98 1.90 3.98 3.14 0.00 -1.26 -4.98 105.19 111.95 1hf4 n GLY 117 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1hf4 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hf4 s THR 118 N -3.48 2.14 -1.21 2.61 -4.23 -0.75 -4.98 115.64 105.74 1hf4 s THR 118 Ca 0.00 -0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 59.85 1hf4 s THR 118 Cb 0.00 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.27 1hf4 s THR 118 CO 0.00 0.00 1.60 -0.62 -0.54 0.00 0.00 174.62 175.06 1hf4 s ASP 119 N -4.74 6.82 0.26 3.99 2.15 -1.26 -4.79 116.67 119.09 1hf4 s ASP 119 Ca 0.67 -2.36 0.22 0.00 0.43 0.00 0.00 52.55 51.51 1hf4 s ASP 119 Cb -0.05 -2.53 1.00 0.00 -0.30 0.00 0.00 42.92 41.03 1hf4 s ASP 119 CO 0.46 -1.14 1.68 1.33 -0.17 0.00 0.00 175.17 177.32 1hf4 n VAL 120 N 6.09 0.91 0.27 1.11 0.24 -1.26 -2.73 118.33 122.95 1hf4 n VAL 120 Ca 0.43 0.36 0.10 0.00 -2.04 0.00 0.00 64.34 63.19 1hf4 n VAL 120 Cb 0.46 -1.31 0.72 0.00 -1.47 0.00 0.00 33.84 32.25 1hf4 n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1hf4 h GLN 121 N 0.00 0.00 -0.01 7.34 -0.00 -1.89 -2.33 115.11 118.22 1hf4 h GLN 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1hf4 h GLN 121 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 1hf4 h GLN 121 CO 0.00 0.04 0.01 0.00 0.00 0.00 0.00 178.83 178.88 1hf4 h ALA 122 N 1.96 1.86 0.00 3.38 0.00 -1.92 -1.61 119.26 122.93 1hf4 h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hf4 h ALA 122 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hf4 h ALA 122 CO 0.01 -0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.15 1hf4 n TRP 123 N -4.32 0.54 0.11 0.00 7.02 -0.88 -2.48 117.44 117.43 1hf4 n TRP 123 Ca -0.03 0.21 0.06 0.00 -1.02 0.00 0.00 57.50 56.73 1hf4 n TRP 123 Cb 0.10 -0.84 0.12 0.00 -2.42 0.00 0.00 31.31 28.26 1hf4 n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1hf4 n ILE 124 N -1.99 0.57 -2.19 -0.99 -0.00 -0.61 -4.84 119.36 109.30 1hf4 n ILE 124 Ca 0.02 -0.79 -0.40 0.00 -0.00 0.00 0.00 62.75 61.58 1hf4 n ILE 124 Cb 0.20 0.82 -0.02 0.00 -0.00 0.00 0.00 39.64 40.64 1hf4 n ILE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1hf4 s ARG 125 N -1.01 4.40 0.00 0.38 1.70 -1.03 -2.56 118.95 120.82 1hf4 s ARG 125 Ca 0.21 2.12 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 1hf4 s ARG 125 Cb 0.12 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.42 1hf4 s ARG 125 CO 0.16 -0.12 0.00 0.41 -1.08 0.00 0.00 175.30 174.68 1hf4 n GLY 126 N 0.87 1.74 3.75 3.88 0.00 -1.26 -4.97 105.19 109.19 1hf4 n GLY 126 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1hf4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf4 s ARG 128 N -0.38 3.90 0.00 0.00 0.52 -1.26 -5.13 118.95 116.60 1hf4 s ARG 128 Ca 0.40 -2.74 0.25 0.00 -0.52 0.00 0.00 55.73 53.12 1hf4 s ARG 128 Cb -0.22 -4.58 0.46 0.00 0.52 0.00 0.00 34.95 31.14 1hf4 s ARG 128 CO 0.26 -1.35 1.41 1.28 0.02 0.00 0.00 175.30 176.92