#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 4.75 0.49 3.15 1.01 -1.26 -0.69 120.40 127.85 1hf4 s VAL 2 Ca 0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1hf4 s VAL 2 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 1hf4 s VAL 2 CO 0.00 0.15 0.93 -0.36 0.00 0.00 0.00 175.10 175.82 1hf4 s PHE 3 N 1.65 3.47 0.16 5.22 0.40 -0.20 -5.01 117.98 123.67 1hf4 s PHE 3 Ca 0.06 1.35 -0.13 0.00 -0.60 0.00 0.00 56.93 57.60 1hf4 s PHE 3 Cb -0.16 -2.70 -0.07 0.00 0.51 0.00 0.00 43.02 40.60 1hf4 s PHE 3 CO 0.07 -0.32 0.54 0.20 0.70 0.00 0.00 175.22 176.41 1hf4 s GLY 4 N -3.16 2.42 0.11 4.36 0.00 -1.26 -4.85 107.32 104.94 1hf4 s GLY 4 Ca 0.57 -0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.82 1hf4 s GLY 4 CO 0.33 0.07 1.48 -0.09 0.00 0.00 0.00 173.10 174.89 1hf4 h ARG 5 N 3.37 -0.38 0.00 2.90 2.43 -1.97 -0.27 114.38 120.45 1hf4 h ARG 5 Ca -0.48 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1hf4 h ARG 5 Cb 1.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1hf4 h ARG 5 CO 0.66 -0.25 -0.27 0.00 -1.51 0.00 0.00 179.97 178.61 1hf4 h GLU 7 N 0.00 0.45 -0.50 0.00 4.81 -1.85 -1.01 114.58 116.48 1hf4 h GLU 7 Ca -0.00 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1hf4 h GLU 7 Cb 0.72 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1hf4 h GLU 7 CO 0.03 0.61 -0.08 1.25 -0.73 0.00 0.00 179.01 180.09 1hf4 h LEU 8 N 0.23 0.94 -0.83 1.64 5.85 -0.90 -2.28 115.31 119.96 1hf4 h LEU 8 Ca 0.07 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1hf4 h LEU 8 Cb 0.40 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1hf4 h LEU 8 CO 0.01 1.06 0.51 0.00 -0.34 0.00 0.00 178.44 179.68 1hf4 h ALA 9 N 0.91 1.13 -0.45 1.25 0.00 -1.20 -0.05 119.26 120.85 1hf4 h ALA 9 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1hf4 h ALA 9 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1hf4 h ALA 9 CO 0.04 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.40 1hf4 h ALA 10 N 1.39 0.62 -0.47 0.00 0.00 -0.99 -1.16 119.26 118.65 1hf4 h ALA 10 Ca 0.36 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1hf4 h ALA 10 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1hf4 h ALA 10 CO -0.17 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1hf4 h ALA 11 N 0.86 0.64 -0.43 0.00 0.00 -0.96 -1.05 119.26 118.32 1hf4 h ALA 11 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1hf4 h ALA 11 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hf4 h ALA 11 CO 0.05 0.44 -0.13 0.52 0.00 0.00 0.00 179.25 180.13 1hf4 h MET 12 N 0.69 0.79 -0.60 0.00 2.86 -0.96 -1.77 114.93 115.93 1hf4 h MET 12 Ca 0.13 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1hf4 h MET 12 Cb 0.50 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1hf4 h MET 12 CO 0.02 0.88 0.02 -0.22 1.06 0.00 0.00 176.91 178.68 1hf4 h LYS 13 N 0.71 1.04 0.00 1.72 3.64 -1.06 -1.80 116.57 120.82 1hf4 h LYS 13 Ca 0.12 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1hf4 h LYS 13 Cb 0.62 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1hf4 h LYS 13 CO 0.04 1.00 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.93 1hf4 h ARG 14 N 0.96 0.00 -0.57 1.90 2.43 -0.80 -2.17 114.38 116.12 1hf4 h ARG 14 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1hf4 h ARG 14 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1hf4 h ARG 14 CO 0.03 0.21 0.00 0.72 -1.51 0.00 0.00 179.97 179.41 1hf4 n HIS 15 N -4.29 0.89 -1.98 2.20 8.25 -0.70 -4.94 115.22 114.65 1hf4 n HIS 15 Ca -0.02 -0.39 -0.06 0.00 -0.26 0.00 0.00 57.72 56.99 1hf4 n HIS 15 Cb 0.27 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 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 1.14 0.23 0.10 -1.41 0.00 -0.82 -4.97 105.19 99.46 1hf4 n GLY 16 Ca 0.18 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 -9.12 0.99 3.38 -1.55 -3.40 115.31 105.60 1hf4 h LEU 17 Ca -0.13 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.27 1hf4 h LEU 17 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1hf4 h LEU 17 CO 0.16 0.66 1.40 -0.67 0.09 0.00 0.00 178.44 180.07 1hf4 n ASP 18 N -3.08 3.61 -0.34 -0.43 2.03 -1.26 -1.11 116.55 115.97 1hf4 n ASP 18 Ca -0.05 0.46 -0.04 0.00 0.52 0.00 0.00 54.79 55.68 1hf4 n ASP 18 Cb 0.84 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.67 1hf4 n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1hf4 n ASN 19 N 10.15 -3.84 -4.68 1.67 5.03 -0.12 -4.87 115.26 118.61 1hf4 n ASN 19 Ca 0.26 0.11 -0.42 0.00 0.87 0.00 0.00 54.58 55.40 1hf4 n ASN 19 Cb 0.43 -1.73 -0.03 0.00 -1.02 0.00 0.00 39.78 37.44 1hf4 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1hf4 s TYR 20 N -2.06 2.58 -1.75 3.10 5.04 -0.27 -2.10 117.35 121.89 1hf4 s TYR 20 Ca 0.00 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1hf4 s TYR 20 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1hf4 s TYR 20 CO 0.00 -2.80 0.00 0.54 -1.34 0.00 0.00 175.55 171.95 1hf4 n ARG 21 N 6.09 -1.72 -0.98 4.97 5.12 -1.26 -1.51 116.66 127.37 1hf4 n ARG 21 Ca 0.15 0.99 0.00 0.00 -1.93 0.00 0.00 57.85 57.06 1hf4 n ARG 21 Cb 0.43 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 26.08 1hf4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hf4 n GLY 22 N -1.00 0.70 3.48 -0.13 0.00 -0.89 -5.01 105.19 102.33 1hf4 n GLY 22 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.76 3.23 0.84 1.61 2.02 -0.57 -4.89 117.35 116.83 1hf4 s TYR 23 Ca 0.00 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.14 1hf4 s TYR 23 Cb 0.00 -2.61 0.10 0.00 -0.40 0.00 0.00 41.96 39.05 1hf4 s TYR 23 CO 0.00 -0.54 1.19 -1.54 -1.57 0.00 0.00 175.55 173.09 1hf4 s SER 24 N 1.71 3.34 0.33 2.29 1.04 -1.26 -0.94 113.70 120.21 1hf4 s SER 24 Ca 0.07 2.33 0.08 0.00 0.48 0.00 0.00 55.95 58.90 1hf4 s SER 24 Cb -0.18 -2.58 0.79 0.00 0.10 0.00 0.00 66.02 64.14 1hf4 s SER 24 CO 0.11 -2.83 1.83 0.25 0.98 0.00 0.00 173.24 173.57 1hf4 h LEU 25 N -1.22 0.71 -1.50 2.42 5.85 -1.89 -1.17 115.31 118.51 1hf4 h LEU 25 Ca -0.45 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1hf4 h LEU 25 Cb 1.29 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1hf4 h LEU 25 CO 0.44 0.31 0.43 1.23 -0.34 0.00 0.00 178.44 180.52 1hf4 h GLY 26 N 0.73 0.78 0.97 3.75 0.00 -1.91 -1.81 103.07 105.58 1hf4 h GLY 26 Ca 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1hf4 h GLY 26 CO -0.27 0.16 0.14 3.43 0.00 0.00 0.00 176.54 179.99 1hf4 h ASN 27 N 0.58 0.28 -0.60 0.19 2.35 -1.43 -0.93 115.58 116.02 1hf4 h ASN 27 Ca 0.29 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 1hf4 h ASN 27 Cb 0.39 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1hf4 h ASN 27 CO -0.09 0.26 0.12 -0.50 -1.65 0.00 0.00 177.43 175.57 1hf4 h TRP 28 N 0.28 1.03 -0.43 1.19 4.06 -1.39 -0.09 115.95 120.60 1hf4 h TRP 28 Ca 0.08 -0.13 -0.08 0.00 2.06 0.00 0.00 58.89 60.83 1hf4 h TRP 28 Cb 0.03 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 1hf4 h TRP 28 CO -0.04 0.88 -0.03 0.28 -3.56 0.00 0.00 178.44 175.97 1hf4 h VAL 29 N 0.88 1.27 -0.66 1.49 2.07 -1.31 -2.11 116.25 117.87 1hf4 h VAL 29 Ca 0.18 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1hf4 h VAL 29 Cb 0.39 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1hf4 h VAL 29 CO 0.01 0.37 0.25 0.00 0.02 0.00 0.00 177.57 178.21 1hf4 h ALA 31 N 1.10 0.50 -0.58 0.00 0.00 -0.85 -2.61 119.26 116.83 1hf4 h ALA 31 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1hf4 h ALA 31 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1hf4 h ALA 31 CO -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.32 1hf4 h ALA 32 N 1.13 1.13 -0.08 0.00 0.00 -1.12 -0.32 119.26 120.01 1hf4 h ALA 32 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1hf4 h ALA 32 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1hf4 h ALA 32 CO -0.03 0.58 -0.01 -0.22 0.00 0.00 0.00 179.25 179.57 1hf4 h LYS 33 N 0.86 0.01 0.00 0.00 1.63 -0.91 -1.76 116.57 116.41 1hf4 h LYS 33 Ca 0.18 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1hf4 h LYS 33 Cb 0.34 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1hf4 h LYS 33 CO 0.00 0.01 -0.54 0.74 -3.45 0.00 0.00 179.45 176.21 1hf4 h PHE 34 N 0.01 0.00 0.21 1.91 0.04 -1.32 0.40 116.94 118.19 1hf4 h PHE 34 Ca 0.04 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.51 1hf4 h PHE 34 Cb 0.05 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.23 1hf4 h PHE 34 CO -0.13 0.00 -1.34 0.93 -0.60 0.00 0.00 178.31 177.17 1hf4 h GLU 35 N 0.00 0.45 0.00 1.51 4.39 -1.02 -3.43 114.58 116.49 1hf4 h GLU 35 Ca 0.00 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1hf4 h GLU 35 Cb 0.92 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1hf4 h GLU 35 CO 0.00 1.37 0.00 -1.13 -1.16 0.00 0.00 179.01 178.09 1hf4 n SER 36 N -3.82 0.12 -3.41 1.42 3.41 -0.71 -4.82 113.62 105.81 1hf4 n SER 36 Ca -0.17 -0.94 -0.22 0.00 -0.26 0.00 0.00 58.87 57.27 1hf4 n SER 36 Cb 1.02 0.01 0.08 0.00 -0.26 0.00 0.00 64.21 65.06 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 -0.01 -5.97 -1.55 4.04 5.15 0.13 -2.07 115.26 114.99 1hf4 n ASN 37 Ca 0.00 -0.51 -0.19 0.00 -0.60 0.00 0.00 54.58 53.28 1hf4 n ASN 37 Cb 0.21 -4.77 -0.07 0.00 -0.53 0.00 0.00 39.78 34.61 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 -4.83 -0.10 -3.59 1.20 3.72 -1.11 -4.82 117.46 107.92 1hf4 n PHE 38 Ca -0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1hf4 n PHE 38 Cb 0.56 -3.30 -0.11 0.00 -0.94 0.00 0.00 39.48 35.69 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 -2.73 5.90 0.54 4.37 3.84 -0.88 -1.03 114.94 124.96 1hf4 s ASN 39 Ca 0.00 -0.22 0.33 0.00 0.21 0.00 0.00 52.86 53.17 1hf4 s ASN 39 Cb 0.00 -2.09 1.40 0.00 -0.55 0.00 0.00 41.25 40.01 1hf4 s ASN 39 CO 0.00 -0.13 2.00 0.71 -2.79 0.00 0.00 177.10 176.90 1hf4 h THR 40 N 5.46 0.14 -0.06 -5.21 1.35 -1.24 -2.98 112.91 110.37 1hf4 h THR 40 Ca -0.34 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1hf4 h THR 40 Cb 1.17 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1hf4 h THR 40 CO 0.59 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.90 1hf4 n GLN 41 N -3.19 1.84 -1.73 4.72 1.13 -1.26 -3.96 117.38 114.93 1hf4 n GLN 41 Ca -0.00 -1.23 -0.42 0.00 -1.94 0.00 0.00 57.00 53.41 1hf4 n GLN 41 Cb 0.30 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1hf4 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hf4 n ALA 42 N 0.48 2.82 -2.85 -1.58 0.00 -1.13 -4.77 120.51 113.49 1hf4 n ALA 42 Ca 0.18 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.88 1hf4 n ALA 42 Cb 0.41 -2.52 -0.11 0.00 0.00 0.00 0.00 19.45 17.23 1hf4 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hf4 s THR 43 N 0.90 0.50 -0.19 0.00 -4.23 -1.26 -0.04 115.64 111.31 1hf4 s THR 43 Ca 0.72 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1hf4 s THR 43 Cb -0.50 -0.61 0.09 0.00 1.34 0.00 0.00 72.50 72.82 1hf4 s THR 43 CO 0.36 -0.41 0.24 0.21 -0.54 0.00 0.00 174.62 174.47 1hf4 s ASN 44 N -1.62 1.15 -0.23 3.99 2.47 -0.34 -4.96 114.94 115.40 1hf4 s ASN 44 Ca -0.10 -0.08 -0.29 0.00 0.42 0.00 0.00 52.86 52.81 1hf4 s ASN 44 Cb -0.09 0.47 0.01 0.00 -1.45 0.00 0.00 41.25 40.19 1hf4 s ASN 44 CO 0.00 -0.31 1.11 -0.60 -3.72 0.00 0.00 177.10 173.58 1hf4 s ARG 45 N 2.35 4.21 0.64 0.43 3.52 -1.26 -0.54 118.95 128.30 1hf4 s ARG 45 Ca 0.07 1.38 -0.07 0.00 -0.13 0.00 0.00 55.73 56.97 1hf4 s ARG 45 Cb -0.15 -3.69 0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1hf4 s ARG 45 CO -0.12 -0.71 0.97 -0.80 -0.81 0.00 0.00 175.30 173.83 1hf4 s ASN 46 N 1.52 5.37 0.34 -2.12 0.02 0.21 -4.98 114.94 115.31 1hf4 s ASN 46 Ca 0.47 0.75 0.18 0.00 -1.02 0.00 0.00 52.86 53.24 1hf4 s ASN 46 Cb -0.16 -1.62 0.48 0.00 0.02 0.00 0.00 41.25 39.97 1hf4 s ASN 46 CO 0.10 -1.25 1.64 0.00 0.02 0.00 0.00 177.10 177.60 1hf4 h THR 47 N -0.39 0.87 -0.14 1.60 1.03 -1.96 -3.13 112.91 110.79 1hf4 h THR 47 Ca -0.45 -1.76 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 1hf4 h THR 47 Cb 1.27 2.10 0.00 0.00 -1.07 0.00 0.00 68.15 70.45 1hf4 h THR 47 CO 0.61 0.41 0.00 -0.90 -0.01 0.00 0.00 175.52 175.64 1hf4 n ASP 48 N -3.41 0.98 0.00 0.00 5.75 -1.26 -4.85 116.55 113.76 1hf4 n ASP 48 Ca 0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1hf4 n ASP 48 Cb 0.59 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1hf4 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hf4 n GLY 49 N 0.62 0.74 3.97 6.12 0.00 -1.18 -4.76 105.19 110.69 1hf4 n GLY 49 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.37 5.38 -0.00 1.61 1.04 -1.26 -4.42 113.70 113.68 1hf4 s SER 50 Ca 0.00 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 1hf4 s SER 50 Cb 0.00 -0.51 -0.00 0.00 0.10 0.00 0.00 66.02 65.61 1hf4 s SER 50 CO 0.00 -0.79 0.03 -0.89 0.98 0.00 0.00 173.24 172.57 1hf4 s THR 51 N -2.43 0.04 -0.15 2.02 2.01 -1.26 0.68 115.64 116.55 1hf4 s THR 51 Ca 0.53 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1hf4 s THR 51 Cb -0.07 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1hf4 s THR 51 CO 0.32 -0.20 0.22 -1.81 -0.69 0.00 0.00 174.62 172.46 1hf4 s ASP 52 N -0.59 6.39 -0.02 3.53 1.01 0.30 -1.12 116.67 126.16 1hf4 s ASP 52 Ca -0.07 0.45 0.05 0.00 0.71 0.00 0.00 52.55 53.70 1hf4 s ASP 52 Cb -0.04 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1hf4 s ASP 52 CO -0.00 0.22 -0.19 -0.31 0.21 0.00 0.00 175.17 175.10 1hf4 s TYR 53 N -0.06 1.71 0.00 4.23 1.51 0.46 -1.20 117.35 124.01 1hf4 s TYR 53 Ca 0.14 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1hf4 s TYR 53 Cb -0.12 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1hf4 s TYR 53 CO 0.03 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.81 1hf4 n GLY 54 N 2.77 -1.75 0.28 0.71 0.00 0.95 -1.79 105.19 106.34 1hf4 n GLY 54 Ca -0.16 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 0.76 -0.32 -0.61 2.10 -1.68 -1.85 117.51 115.91 1hf4 h ILE 55 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 1hf4 h ILE 55 Cb 0.00 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 1hf4 h ILE 55 CO 0.00 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.27 1hf4 n LEU 56 N -4.14 3.26 -4.03 2.19 4.77 -1.26 -4.00 117.00 113.80 1hf4 n LEU 56 Ca -0.03 -2.33 -0.38 0.00 -0.03 0.00 0.00 56.01 53.24 1hf4 n LEU 56 Cb 0.11 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1hf4 n LEU 56 CO 0.31 0.71 -0.22 0.00 -1.33 0.00 0.00 177.39 176.87 1hf4 n GLN 57 N 0.19 -0.98 -2.58 3.23 1.13 -0.69 -4.90 117.38 112.78 1hf4 n GLN 57 Ca 0.15 0.20 -0.42 0.00 -1.94 0.00 0.00 57.00 54.99 1hf4 n GLN 57 Cb 0.58 -3.32 -0.03 0.00 0.11 0.00 0.00 30.24 27.59 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 -3.74 4.52 0.18 5.09 1.01 -0.74 -4.39 121.20 123.14 1hf4 s ILE 58 Ca 0.33 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.50 1hf4 s ILE 58 Cb -0.16 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.07 1hf4 s ILE 58 CO 0.94 0.08 0.98 0.21 0.00 0.00 0.00 174.94 177.15 1hf4 s ASN 59 N 1.14 7.51 0.14 3.58 3.84 -1.26 -0.40 114.94 129.49 1hf4 s ASN 59 Ca 0.54 1.92 0.24 0.00 0.21 0.00 0.00 52.86 55.77 1hf4 s ASN 59 Cb -0.23 -2.60 0.92 0.00 -0.55 0.00 0.00 41.25 38.79 1hf4 s ASN 59 CO 0.25 -0.00 1.75 -1.54 -2.79 0.00 0.00 177.10 174.76 1hf4 n SER 60 N 2.12 0.45 0.11 -4.21 3.41 -0.28 -2.61 113.62 112.62 1hf4 n SER 60 Ca 0.00 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.22 1hf4 n SER 60 Cb 0.48 -0.68 0.44 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.29 0.00 4.33 9.65 -1.84 -3.39 114.38 123.42 1hf4 h ARG 61 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1hf4 h ARG 61 Cb 0.51 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1hf4 h ARG 61 CO 0.00 0.31 -0.56 0.91 2.80 0.00 0.00 179.97 183.42 1hf4 n TRP 62 N -4.39 0.00 -0.03 2.20 7.02 -1.23 -4.00 117.44 117.02 1hf4 n TRP 62 Ca 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1hf4 n TRP 62 Cb 0.17 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.93 1hf4 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1hf4 n TRP 63 N -1.64 0.37 -3.98 -5.99 7.02 -1.07 0.27 117.44 112.41 1hf4 n TRP 63 Ca 0.00 0.12 -0.08 0.00 -1.02 0.00 0.00 57.50 56.52 1hf4 n TRP 63 Cb 0.28 -0.89 -0.09 0.00 -2.42 0.00 0.00 31.31 28.19 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 -2.76 6.08 -0.03 0.00 2.47 -0.58 -4.34 114.94 115.78 1hf4 s ASN 65 Ca 0.04 -0.33 0.09 0.00 0.42 0.00 0.00 52.86 53.08 1hf4 s ASN 65 Cb 0.05 -2.15 0.25 0.00 -1.45 0.00 0.00 41.25 37.95 1hf4 s ASN 65 CO -0.09 -0.23 1.20 -0.90 -3.72 0.00 0.00 177.10 173.35 1hf4 n ASP 66 N 5.15 2.75 0.00 -4.21 5.68 -1.26 -0.93 116.55 123.73 1hf4 n ASP 66 Ca -0.12 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 1hf4 n ASP 66 Cb 0.50 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1hf4 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hf4 n GLY 67 N -0.07 0.32 0.06 6.12 0.00 -1.26 -4.70 105.19 105.66 1hf4 n GLY 67 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 1.54 -4.06 1.61 1.85 -1.26 -5.04 116.66 109.30 1hf4 n ARG 68 Ca 0.00 -1.30 -0.35 0.00 -1.00 0.00 0.00 57.85 55.20 1hf4 n ARG 68 Cb 0.00 -0.87 -0.11 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.86 4.38 0.51 8.89 2.01 -1.26 -4.87 115.64 124.43 1hf4 s THR 69 Ca 0.05 -0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 1hf4 s THR 69 Cb 0.04 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 1hf4 s THR 69 CO 0.00 0.44 1.29 -0.81 -0.69 0.00 0.00 174.62 174.85 1hf4 n PRO 70 N 3.92 1.71 0.00 4.92 -0.04 -1.26 -2.85 135.00 141.39 1hf4 n PRO 70 Ca -0.17 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1hf4 n PRO 70 Cb 0.52 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1hf4 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hf4 n GLY 71 N 0.83 2.98 3.76 0.55 0.00 -1.26 -4.76 105.19 107.28 1hf4 n GLY 71 Ca 0.09 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1hf4 n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hf4 n SER 72 N 0.61 -5.12 -0.05 1.61 7.64 -1.13 -4.96 113.62 112.21 1hf4 n SER 72 Ca 0.00 -0.97 -0.03 0.00 1.01 0.00 0.00 58.87 58.88 1hf4 n SER 72 Cb 0.00 -2.50 -0.01 0.00 -1.01 0.00 0.00 64.21 60.68 1hf4 n SER 72 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1hf4 h ARG 73 N -1.23 0.00 -6.43 1.43 9.65 -1.84 -3.50 114.38 112.46 1hf4 h ARG 73 Ca -0.59 0.00 -0.41 0.00 -1.10 0.00 0.00 59.98 57.87 1hf4 h ARG 73 Cb 1.35 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.95 1hf4 h ARG 73 CO 0.43 0.00 -0.86 -1.71 2.80 0.00 0.00 179.97 180.62 1hf4 n ASN 74 N -4.13 -5.34 0.24 -3.80 5.15 -0.94 -4.89 115.26 101.56 1hf4 n ASN 74 Ca -0.05 -0.89 0.15 0.00 -0.60 0.00 0.00 54.58 53.19 1hf4 n ASN 74 Cb 0.19 -2.68 0.45 0.00 -0.53 0.00 0.00 39.78 37.21 1hf4 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hf4 h LEU 75 N -0.95 0.00 -1.09 1.20 3.38 -0.19 -3.03 115.31 114.62 1hf4 h LEU 75 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1hf4 h LEU 75 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1hf4 h LEU 75 CO 0.41 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.74 1hf4 n ASN 77 N 0.19 -3.99 -3.67 0.00 5.15 -1.15 -4.97 115.26 106.82 1hf4 n ASN 77 Ca 0.13 -0.80 -0.15 0.00 -0.60 0.00 0.00 54.58 53.16 1hf4 n ASN 77 Cb 0.44 -4.41 -0.08 0.00 -0.53 0.00 0.00 39.78 35.20 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 -3.49 0.02 0.41 -1.44 -4.36 -1.26 -5.08 121.20 106.00 1hf4 s ILE 78 Ca 0.26 -0.18 -0.24 0.00 -0.26 0.00 0.00 60.65 60.23 1hf4 s ILE 78 Cb -0.06 -0.75 -0.08 0.00 1.25 0.00 0.00 42.46 42.81 1hf4 s ILE 78 CO 0.79 -0.10 1.14 -2.16 0.24 0.00 0.00 174.94 174.85 1hf4 s PRO 79 N -0.73 4.01 0.58 0.37 0.04 -1.26 -1.52 135.00 136.49 1hf4 s PRO 79 Ca -0.08 1.74 0.28 0.00 0.04 0.00 0.00 61.00 62.98 1hf4 s PRO 79 Cb -0.03 -2.58 1.68 0.00 0.04 0.00 0.00 34.50 33.61 1hf4 s PRO 79 CO 0.05 -0.33 2.16 0.00 0.04 0.00 0.00 177.00 178.91 1hf4 h SER 81 N 0.00 0.00 0.50 0.00 4.64 -1.90 -0.75 113.55 116.04 1hf4 h SER 81 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1hf4 h SER 81 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1hf4 h SER 81 CO -0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 1hf4 h ALA 82 N 1.98 1.16 -0.00 5.18 0.00 -1.60 -1.87 119.26 124.10 1hf4 h ALA 82 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hf4 h ALA 82 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hf4 h ALA 82 CO -0.00 0.11 -0.03 1.28 0.00 0.00 0.00 179.25 180.61 1hf4 n LEU 83 N -3.42 0.27 -0.87 0.00 4.77 -0.29 -3.33 117.00 114.12 1hf4 n LEU 83 Ca -0.01 0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1hf4 n LEU 83 Cb 0.25 -0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1hf4 n LEU 83 CO 0.28 0.05 0.60 0.18 -1.33 0.00 0.00 177.39 177.17 1hf4 n LEU 84 N -0.97 2.84 -4.78 2.23 4.77 -0.70 -3.69 117.00 116.70 1hf4 n LEU 84 Ca 0.18 -1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 1hf4 n LEU 84 Cb 0.22 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1hf4 n LEU 84 CO 0.21 0.51 0.74 -0.55 -1.33 0.00 0.00 177.39 176.97 1hf4 s SER 85 N -1.67 5.32 0.36 -1.43 0.15 -1.21 -4.35 113.70 110.87 1hf4 s SER 85 Ca 0.26 1.96 0.27 0.00 0.70 0.00 0.00 55.95 59.14 1hf4 s SER 85 Cb 0.18 -2.55 0.98 0.00 -1.71 0.00 0.00 66.02 62.92 1hf4 s SER 85 CO 0.26 -1.49 1.79 0.77 1.20 0.00 0.00 173.24 175.78 1hf4 h SER 86 N 0.20 0.00 -3.52 5.45 4.64 -1.92 -3.41 113.55 114.99 1hf4 h SER 86 Ca -0.47 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 1hf4 h SER 86 Cb 1.24 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.22 1hf4 h SER 86 CO 0.55 0.00 0.38 -0.62 -0.87 0.00 0.00 176.83 176.27 1hf4 s ASP 87 N -4.97 6.57 0.00 4.97 2.15 -1.26 -4.96 116.67 119.17 1hf4 s ASP 87 Ca 0.05 0.39 0.27 0.00 0.43 0.00 0.00 52.55 53.70 1hf4 s ASP 87 Cb 0.09 -2.40 1.62 0.00 -0.30 0.00 0.00 42.92 41.93 1hf4 s ASP 87 CO 0.51 -0.72 2.04 2.30 -0.17 0.00 0.00 175.17 179.13 1hf4 n ILE 88 N 5.76 0.00 -0.11 4.11 -5.35 -1.26 -4.34 119.36 118.17 1hf4 n ILE 88 Ca 0.03 -0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.44 1hf4 n ILE 88 Cb 0.48 -0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 37.96 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 0.02 0.30 -0.61 7.28 2.02 -1.94 -0.21 112.91 119.76 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 0.00 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1hf4 h THR 89 CO 0.00 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.29 1hf4 h ALA 90 N 0.88 0.77 -0.43 6.16 0.00 -1.84 -1.11 119.26 123.70 1hf4 h ALA 90 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1hf4 h ALA 90 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1hf4 h ALA 90 CO -0.51 0.20 0.21 0.77 0.00 0.00 0.00 179.25 179.92 1hf4 h SER 91 N 0.82 0.57 -0.30 0.00 0.02 -1.66 -1.71 113.55 111.27 1hf4 h SER 91 Ca 0.23 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1hf4 h SER 91 Cb -0.08 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1hf4 h SER 91 CO -0.05 0.53 0.05 0.58 -1.14 0.00 0.00 176.83 176.80 1hf4 h VAL 92 N 0.56 1.23 -0.54 2.27 2.07 -0.81 -0.05 116.25 120.98 1hf4 h VAL 92 Ca 0.15 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1hf4 h VAL 92 Cb 0.12 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1hf4 h VAL 92 CO -0.02 0.26 0.10 0.78 0.02 0.00 0.00 177.57 178.72 1hf4 h ASN 93 N 0.32 0.79 -0.18 0.57 2.35 -1.14 -1.68 115.58 116.61 1hf4 h ASN 93 Ca 0.09 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1hf4 h ASN 93 Cb 0.34 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1hf4 h ASN 93 CO 0.01 0.79 -0.39 0.00 -1.65 0.00 0.00 177.43 176.19 1hf4 h ALA 95 N 0.58 1.84 -0.30 0.00 0.00 -0.73 -0.16 119.26 120.49 1hf4 h ALA 95 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1hf4 h ALA 95 Cb 1.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1hf4 h ALA 95 CO 0.09 0.05 0.02 0.87 0.00 0.00 0.00 179.25 180.28 1hf4 h LYS 96 N 0.56 0.44 -0.01 0.00 1.57 -1.17 0.11 116.57 118.08 1hf4 h LYS 96 Ca 0.27 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.73 1hf4 h LYS 96 Cb 0.33 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.58 1hf4 h LYS 96 CO -0.08 0.45 -0.94 0.87 -0.57 0.00 0.00 179.45 179.19 1hf4 h LYS 97 N 0.43 0.64 -0.10 3.15 1.57 -1.03 -3.18 116.57 118.06 1hf4 h LYS 97 Ca 0.10 -0.69 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1hf4 h LYS 97 Cb 0.25 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1hf4 h LYS 97 CO 0.00 1.28 0.06 0.82 -0.57 0.00 0.00 179.45 181.04 1hf4 h ILE 98 N 0.29 1.08 0.00 1.86 2.04 -0.83 -2.47 117.51 119.49 1hf4 h ILE 98 Ca -0.12 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1hf4 h ILE 98 Cb 1.60 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1hf4 h ILE 98 CO 0.18 0.07 0.00 0.55 0.00 0.00 0.00 178.15 178.96 1hf4 n VAL 99 N -4.98 1.06 0.81 1.67 3.14 -0.01 -1.45 118.33 118.58 1hf4 n VAL 99 Ca -0.05 0.41 0.11 0.00 -2.96 0.00 0.00 64.34 61.84 1hf4 n VAL 99 Cb 0.07 -1.33 0.11 0.00 -1.06 0.00 0.00 33.84 31.62 1hf4 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1hf4 n SER 100 N -2.02 2.90 0.00 6.55 7.64 -0.96 -3.84 113.62 123.89 1hf4 n SER 100 Ca 0.01 -1.92 0.14 0.00 1.01 0.00 0.00 58.87 58.11 1hf4 n SER 100 Cb 0.14 -0.04 0.80 0.00 -1.01 0.00 0.00 64.21 64.10 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 1.25 0.00 0.00 6.43 2.03 -0.53 -4.88 116.55 120.85 1hf4 n ASP 101 Ca 0.14 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.68 1hf4 n ASP 101 Cb 0.55 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.74 1.03 0.08 0.27 0.00 -1.26 -4.95 105.19 101.10 1hf4 n GLY 102 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1hf4 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hf4 n ASN 103 N 0.00 1.38 0.00 1.61 5.15 -1.26 -5.10 115.26 117.04 1hf4 n ASN 103 Ca 0.00 -2.05 0.00 0.00 -0.60 0.00 0.00 54.58 51.93 1hf4 n ASN 103 Cb 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1hf4 n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hf4 n GLY 104 N -0.56 2.44 0.15 8.20 0.00 -1.25 -1.68 105.19 112.49 1hf4 n GLY 104 Ca 0.04 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 1.16 0.00 1.61 2.81 -1.26 -3.56 117.12 131.87 1hf4 n MET 105 Ca 0.00 -0.30 0.06 0.00 -1.81 0.00 0.00 57.70 55.65 1hf4 n MET 105 Cb 0.00 -1.49 0.27 0.00 -0.71 0.00 0.00 33.22 31.29 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 -0.66 0.00 0.26 7.83 3.02 -0.68 -1.67 115.26 123.36 1hf4 n ASN 106 Ca 0.22 0.33 0.17 0.00 -0.03 0.00 0.00 54.58 55.27 1hf4 n ASN 106 Cb 0.20 -0.40 0.75 0.00 -0.61 0.00 0.00 39.78 39.72 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 2.47 1.00 -2.81 5.41 0.00 -1.69 -3.38 119.26 120.26 1hf4 h ALA 107 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1hf4 h ALA 107 Cb 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.69 1hf4 h ALA 107 CO 0.00 0.00 -0.50 -1.58 0.00 0.00 0.00 179.25 177.17 1hf4 s TRP 108 N -3.70 3.28 0.21 0.00 0.51 -0.67 -4.99 118.94 113.59 1hf4 s TRP 108 Ca 0.00 -1.22 -0.09 0.00 -2.12 0.00 0.00 56.10 52.68 1hf4 s TRP 108 Cb 0.10 -2.64 0.25 0.00 -0.81 0.00 0.00 33.47 30.36 1hf4 s TRP 108 CO 0.48 -0.74 1.81 0.28 -0.51 0.00 0.00 176.95 178.27 1hf4 h VAL 109 N 5.98 0.98 -0.31 4.03 2.07 -1.85 -1.74 116.25 125.40 1hf4 h VAL 109 Ca -0.24 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1hf4 h VAL 109 Cb 1.09 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1hf4 h VAL 109 CO 0.70 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 178.37 1hf4 h ALA 110 N 1.35 1.32 -0.45 1.67 0.00 -1.93 -0.68 119.26 120.54 1hf4 h ALA 110 Ca 0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1hf4 h ALA 110 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hf4 h ALA 110 CO -0.18 0.46 -0.03 2.35 0.00 0.00 0.00 179.25 181.85 1hf4 h TRP 111 N 0.47 0.90 -0.92 0.00 7.01 -1.72 0.98 115.95 122.67 1hf4 h TRP 111 Ca 0.10 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1hf4 h TRP 111 Cb 0.40 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 1hf4 h TRP 111 CO 0.01 0.88 0.56 -0.09 -2.79 0.00 0.00 178.44 177.01 1hf4 h ARG 112 N 0.66 1.25 0.09 2.65 2.43 -0.73 0.12 114.38 120.85 1hf4 h ARG 112 Ca 0.12 -0.11 -0.29 0.00 -0.81 0.00 0.00 59.98 58.89 1hf4 h ARG 112 Cb 0.54 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1hf4 h ARG 112 CO 0.03 0.87 -1.49 -0.91 -1.51 0.00 0.00 179.97 176.96 1hf4 h ASN 113 N 1.27 0.30 -0.00 -3.80 2.35 -0.99 -3.38 115.58 111.32 1hf4 h ASN 113 Ca 0.33 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1hf4 h ASN 113 Cb -0.06 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1hf4 h ASN 113 CO -0.06 1.35 -0.16 0.54 -1.65 0.00 0.00 177.43 177.45 1hf4 n ARG 114 N -3.39 5.65 -0.01 0.81 5.12 0.32 -4.85 116.66 120.31 1hf4 n ARG 114 Ca -0.15 -0.02 -0.02 0.00 -1.93 0.00 0.00 57.85 55.73 1hf4 n ARG 114 Cb 1.03 -0.68 -0.01 0.00 -1.16 0.00 0.00 32.46 31.64 1hf4 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hf4 n LYS 116 N -2.73 1.69 -0.66 0.00 4.81 0.18 -1.54 118.16 119.92 1hf4 n LYS 116 Ca -0.05 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1hf4 n LYS 116 Cb 0.55 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.27 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 3.07 1.27 3.93 3.14 0.00 -1.26 -4.96 105.19 110.38 1hf4 n GLY 117 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.50 2.66 -1.23 2.61 -4.23 -0.59 -5.02 115.64 106.34 1hf4 s THR 118 Ca 0.00 -1.22 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 1hf4 s THR 118 Cb 0.00 -2.88 0.09 0.00 1.34 0.00 0.00 72.50 71.05 1hf4 s THR 118 CO 0.00 0.00 1.62 -0.62 -0.54 0.00 0.00 174.62 175.08 1hf4 s ASP 119 N -4.25 6.82 0.30 3.99 2.15 -1.26 -4.79 116.67 119.62 1hf4 s ASP 119 Ca 0.50 -2.37 0.23 0.00 0.43 0.00 0.00 52.55 51.34 1hf4 s ASP 119 Cb -0.05 -2.54 1.09 0.00 -0.30 0.00 0.00 42.92 41.11 1hf4 s ASP 119 CO 0.30 -1.15 1.70 1.33 -0.17 0.00 0.00 175.17 177.18 1hf4 n VAL 120 N 6.15 0.91 0.31 1.11 0.24 -1.26 -2.23 118.33 123.56 1hf4 n VAL 120 Ca 0.44 0.47 0.20 0.00 -2.04 0.00 0.00 64.34 63.41 1hf4 n VAL 120 Cb 0.46 -1.43 1.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 -0.05 7.34 5.75 -1.88 -1.76 115.11 124.51 1hf4 h GLN 121 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1hf4 h GLN 121 Cb 0.20 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 1hf4 h GLN 121 CO 0.00 0.01 0.02 0.00 -2.65 0.00 0.00 178.83 176.21 1hf4 h ALA 122 N 1.99 1.93 0.00 3.38 0.00 -1.84 -1.12 119.26 123.59 1hf4 h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hf4 h ALA 122 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hf4 h ALA 122 CO 0.00 0.06 0.00 0.91 0.00 0.00 0.00 179.25 180.22 1hf4 n TRP 123 N -4.51 0.63 0.50 0.00 7.02 -0.66 -1.41 117.44 119.01 1hf4 n TRP 123 Ca -0.02 0.26 0.07 0.00 -1.02 0.00 0.00 57.50 56.79 1hf4 n TRP 123 Cb 0.10 -0.91 0.08 0.00 -2.42 0.00 0.00 31.31 28.16 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 -2.09 0.13 -1.95 -0.99 2.08 -0.45 -4.80 119.36 111.31 1hf4 n ILE 124 Ca 0.02 -0.57 -0.42 0.00 0.56 0.00 0.00 62.75 62.34 1hf4 n ILE 124 Cb 0.19 1.20 -0.03 0.00 -0.75 0.00 0.00 39.64 40.25 1hf4 n ILE 124 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1hf4 s ARG 125 N -1.19 4.22 0.00 0.38 3.52 -0.50 -2.27 118.95 123.10 1hf4 s ARG 125 Ca 0.19 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 1hf4 s ARG 125 Cb 0.13 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1hf4 s ARG 125 CO 0.19 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 1hf4 n GLY 126 N 3.81 2.15 0.19 8.12 0.00 -1.26 -4.89 105.19 113.30 1hf4 n GLY 126 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1hf4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hf4 n ARG 128 N -3.85 -0.45 0.00 0.00 1.74 -1.26 -5.10 116.66 107.74 1hf4 n ARG 128 Ca -0.06 0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1hf4 n ARG 128 Cb 0.76 -2.67 0.66 0.00 -1.02 0.00 0.00 32.46 30.20 1hf4 n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39