#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whf n ASN 2 N 0.00 -8.06 -4.06 0.00 4.13 -1.26 -4.65 115.26 101.36 1whf n ASN 2 Ca 0.00 1.62 -0.34 0.00 1.68 0.00 0.00 54.58 57.55 1whf n ASN 2 Cb 0.00 -5.07 -0.02 0.00 -1.54 0.00 0.00 39.78 33.14 1whf n ASN 2 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1whf n SER 3 N -3.73 -3.34 0.00 6.41 7.64 -1.26 -4.76 113.62 114.58 1whf n SER 3 Ca -0.06 -0.88 0.05 0.00 1.01 0.00 0.00 58.87 58.99 1whf n SER 3 Cb 0.61 -2.74 0.30 0.00 -1.01 0.00 0.00 64.21 61.37 1whf n SER 3 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1whf n PHE 4 N -4.26 0.00 -0.11 1.43 -1.74 -1.26 -0.26 117.46 111.26 1whf n PHE 4 Ca 0.07 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.86 1whf n PHE 4 Cb 0.50 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.47 1whf n PHE 4 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1whf h LEU 5 N 0.00 0.46 0.00 5.98 3.38 -1.90 -3.51 115.31 119.72 1whf h LEU 5 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1whf h LEU 5 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1whf h LEU 5 CO 0.00 0.51 0.00 1.33 0.09 0.00 0.00 178.44 180.37 1whf n VAL 8 N -4.70 0.00 -0.64 1.22 0.24 0.64 -5.06 118.33 110.03 1whf n VAL 8 Ca -0.01 0.00 0.49 0.00 -2.04 0.00 0.00 64.34 62.77 1whf n VAL 8 Cb 0.14 0.00 0.77 0.00 -1.47 0.00 0.00 33.84 33.28 1whf n VAL 8 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1whf n LYS 9 N 0.00 -0.01 0.00 7.34 3.00 -1.26 -4.15 118.16 123.08 1whf n LYS 9 Ca 0.00 1.10 0.00 0.00 -0.00 0.00 0.00 58.31 59.41 1whf n LYS 9 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 32.60 1whf n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1whf n GLN 10 N -4.08 0.00 0.00 1.64 10.64 -1.26 -4.97 117.38 119.35 1whf n GLN 10 Ca 0.43 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 1whf n GLN 10 Cb 1.86 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 31.24 1whf n GLN 10 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1whf n GLY 11 N 0.00 5.13 3.02 2.61 0.00 -1.26 -4.99 105.19 109.71 1whf n GLY 11 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1whf n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whf n ASN 12 N 0.00 -7.46 0.00 1.61 4.13 -1.26 -4.95 115.26 107.33 1whf n ASN 12 Ca 0.00 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1whf n ASN 12 Cb 0.00 -4.70 0.00 0.00 -1.54 0.00 0.00 39.78 33.54 1whf n ASN 12 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1whf n LEU 13 N -0.66 0.51 0.00 3.41 7.99 -1.26 -4.70 117.00 122.28 1whf n LEU 13 Ca 0.05 -0.51 0.00 0.00 -0.01 0.00 0.00 56.01 55.54 1whf n LEU 13 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1whf n LEU 13 CO 0.51 0.13 0.00 0.54 -1.51 0.00 0.00 177.39 177.05 1whf n ARG 15 N -0.10 0.00 -2.18 3.23 3.00 -1.26 -4.99 116.66 114.35 1whf n ARG 15 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1whf n ARG 15 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.81 1whf n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1whf n LEU 18 N 1.19 2.01 0.00 0.00 -0.00 -1.26 0.16 117.00 119.10 1whf n LEU 18 Ca 0.58 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 1whf n LEU 18 Cb 0.25 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1whf n LEU 18 CO 0.64 0.37 0.00 0.00 -0.00 0.00 0.00 177.39 178.40 1whf n ALA 21 N 0.23 0.00 0.00 1.96 0.00 -1.26 -4.69 120.51 116.75 1whf n ALA 21 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1whf n ALA 21 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1whf n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whf n SER 23 N 0.00 0.00 -3.15 0.00 7.64 0.44 -4.99 113.62 113.56 1whf n SER 23 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1whf n SER 23 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1whf n SER 23 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1whf s LEU 24 N 0.00 -1.34 0.00 -3.43 1.98 -1.25 -4.00 118.68 110.64 1whf s LEU 24 Ca 0.00 0.44 0.00 0.00 -2.89 0.00 0.00 54.13 51.68 1whf s LEU 24 Cb 0.00 1.96 0.00 0.00 0.66 0.00 0.00 46.19 48.81 1whf s LEU 24 CO 0.00 -0.25 0.00 0.00 -1.89 0.00 0.00 176.35 174.21 1whf n ALA 27 N 5.40 0.00 0.12 5.97 0.00 -1.26 -5.15 120.51 125.59 1whf n ALA 27 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1whf n ALA 27 Cb 0.53 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.21 1whf n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1whf n ARG 28 N -0.41 0.06 0.00 0.00 1.74 -1.26 -4.08 116.66 112.70 1whf n ARG 28 Ca 0.00 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1whf n ARG 28 Cb 0.00 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1whf n ARG 28 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1whf n VAL 30 N -1.81 0.00 -3.07 1.55 3.14 -1.26 -5.08 118.33 111.80 1whf n VAL 30 Ca -0.01 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.20 1whf n VAL 30 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.13 1whf n VAL 30 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1whf s PHE 31 N -0.85 2.76 0.13 1.45 0.08 -1.26 -4.98 117.98 115.31 1whf s PHE 31 Ca 0.00 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1whf s PHE 31 Cb 0.00 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1whf s PHE 31 CO 0.00 -0.41 0.00 -0.25 -0.10 0.00 0.00 175.22 174.46 1whf n ASP 33 N -1.83 -3.36 -0.38 1.36 9.92 -1.26 -4.45 116.55 116.56 1whf n ASP 33 Ca 0.08 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1whf n ASP 33 Cb 0.59 -0.56 0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1whf n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1whf n ALA 34 N -0.72 2.53 0.00 2.24 0.00 -1.26 -0.72 120.51 122.58 1whf n ALA 34 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1whf n ALA 34 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1whf n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1whf n GLN 36 N -0.13 0.00 -0.30 0.00 6.02 -1.26 -3.67 117.38 118.05 1whf n GLN 36 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1whf n GLN 36 Cb 0.20 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.36 1whf n GLN 36 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1whf h THR 37 N 0.00 0.00 -0.07 5.09 1.35 -1.14 0.23 112.91 118.37 1whf h THR 37 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1whf h THR 37 Cb 0.00 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 1whf h THR 37 CO 0.00 0.00 0.03 -0.67 -0.25 0.00 0.00 175.52 174.63 1whf n ASP 38 N -5.15 2.47 0.00 5.36 -0.08 -1.24 -3.12 116.55 114.78 1whf n ASP 38 Ca -0.00 -2.11 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1whf n ASP 38 Cb 0.27 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.21 1whf n ASP 38 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1whf n PHE 40 N 0.25 0.00 0.02 -0.67 -0.00 0.81 0.90 117.46 118.78 1whf n PHE 40 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.47 1whf n PHE 40 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.97 1whf n PHE 40 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 1whf h TRP 41 N 0.00 -0.11 0.00 -5.13 -0.00 -1.60 -3.26 115.95 105.85 1whf h TRP 41 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1whf h TRP 41 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.19 1whf h TRP 41 CO 0.00 -0.07 0.00 0.45 -0.00 0.00 0.00 178.44 178.82 1whf n SER 42 N -3.82 0.00 -1.12 -3.49 2.88 0.26 -0.59 113.62 107.74 1whf n SER 42 Ca -0.01 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1whf n SER 42 Cb 0.04 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1whf n SER 42 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1whf n LYS 43 N -2.87 0.96 -0.24 -1.46 2.85 -1.26 -4.40 118.16 111.74 1whf n LYS 43 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 1whf n LYS 43 Cb 0.00 -1.02 0.01 0.00 -0.65 0.00 0.00 35.03 33.37 1whf n LYS 43 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1whf n TYR 44 N 0.76 0.14 -1.10 5.58 9.36 0.24 -4.21 117.16 127.93 1whf n TYR 44 Ca 0.00 -0.77 -0.26 0.00 3.32 0.00 0.00 57.90 60.19 1whf n TYR 44 Cb 0.48 -0.38 0.08 0.00 -0.63 0.00 0.00 39.34 38.89 1whf n TYR 44 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1whf n LYS 45 N 0.80 2.29 0.00 2.98 2.85 -1.26 -3.94 118.16 121.88 1whf n LYS 45 Ca 0.03 -2.61 0.00 0.00 -1.05 0.00 0.00 58.31 54.68 1whf n LYS 45 Cb 0.54 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1whf n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1whf n ASP 46 N -0.53 0.60 0.00 -5.58 -0.08 -1.26 -4.98 116.55 104.72 1whf n ASP 46 Ca 0.50 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 1whf n ASP 46 Cb 0.79 0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.33 1whf n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whf n GLY 47 N 0.07 0.39 1.77 0.27 0.00 -1.25 -2.11 105.19 104.33 1whf n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1whf n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whf n ASP 48 N -0.28 -1.15 0.00 1.61 5.75 -1.26 -3.19 116.55 118.03 1whf n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1whf n ASP 48 Cb 0.14 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1whf n GLN 49 N -2.38 0.00 0.00 0.11 1.13 -0.90 -4.32 117.38 111.02 1whf n GLN 49 Ca 0.00 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.21 1whf n GLN 49 Cb 0.00 0.00 0.81 0.00 0.11 0.00 0.00 30.24 31.16 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whf s GLU 51 N -2.04 3.95 0.00 0.00 2.12 -1.19 -3.20 118.70 118.33 1whf s GLU 51 Ca 0.44 1.44 0.00 0.00 0.36 0.00 0.00 54.97 57.21 1whf s GLU 51 Cb 0.22 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 32.31 1whf s GLU 51 CO 0.37 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1whf n GLY 52 N 0.03 0.71 3.42 -1.50 0.00 -1.26 -4.36 105.19 102.22 1whf n GLY 52 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1whf n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1whf n HIS 53 N -2.00 -2.34 -0.30 1.61 8.25 -1.19 -4.86 115.22 114.39 1whf n HIS 53 Ca 0.00 0.77 0.05 0.00 -0.26 0.00 0.00 57.72 58.28 1whf n HIS 53 Cb 0.00 -3.74 0.26 0.00 1.12 0.00 0.00 29.99 27.63 1whf n HIS 53 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1whf h PRO 54 N -0.95 0.95 -7.23 -0.41 0.11 -1.76 -3.42 132.00 119.29 1whf h PRO 54 Ca -0.49 -0.06 -0.46 0.00 0.11 0.00 0.00 66.00 65.11 1whf h PRO 54 Cb 1.26 -0.21 0.07 0.00 0.11 0.00 0.00 31.00 32.23 1whf h PRO 54 CO 0.42 0.63 0.19 0.00 -0.21 0.00 0.00 178.00 179.03 1whf n LEU 56 N -2.83 0.00 -3.94 0.00 4.77 0.25 -4.85 117.00 110.40 1whf n LEU 56 Ca 0.08 -1.36 -0.38 0.00 -0.03 0.00 0.00 56.01 54.31 1whf n LEU 56 Cb 0.60 1.12 0.02 0.00 -2.33 0.00 0.00 43.42 42.83 1whf n LEU 56 CO 0.51 -0.30 -0.17 0.59 -1.33 0.00 0.00 177.39 176.69 1whf n ASN 57 N -1.98 -4.52 -3.54 -1.43 5.03 -1.23 0.85 115.26 108.44 1whf n ASN 57 Ca 0.01 -1.16 -0.25 0.00 0.87 0.00 0.00 54.58 54.05 1whf n ASN 57 Cb 0.28 -1.87 -0.02 0.00 -1.02 0.00 0.00 39.78 37.15 1whf n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1whf n GLN 58 N -4.21 -2.75 -2.68 3.52 6.02 -1.26 -4.64 117.38 111.39 1whf n GLN 58 Ca -0.17 0.32 -0.33 0.00 -0.01 0.00 0.00 57.00 56.82 1whf n GLN 58 Cb 0.60 -4.97 -0.06 0.00 1.02 0.00 0.00 30.24 26.83 1whf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1whf s GLY 59 N -2.76 2.26 0.75 1.08 0.00 0.25 -4.35 107.32 104.54 1whf s GLY 59 Ca 0.45 0.29 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 1whf s GLY 59 CO 0.56 0.56 1.12 -1.58 0.00 0.00 0.00 173.10 173.76 1whf s HIS 60 N -2.34 3.16 -0.03 1.90 2.46 -0.84 -4.68 115.29 114.91 1whf s HIS 60 Ca 0.60 0.98 -0.00 0.00 0.47 0.00 0.00 55.06 57.11 1whf s HIS 60 Cb -0.09 -3.19 0.03 0.00 -0.13 0.00 0.00 32.58 29.20 1whf s HIS 60 CO 0.20 -1.42 0.03 0.00 -2.47 0.00 0.00 174.74 171.08 1whf n LYS 62 N 4.39 1.86 0.00 0.00 4.76 0.15 -4.94 118.16 124.38 1whf n LYS 62 Ca -0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1whf n LYS 62 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1whf n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whf n GLY 64 N 5.00 4.59 0.45 0.72 0.00 0.01 -3.68 105.19 112.28 1whf n GLY 64 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1whf n GLY 64 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1whf h ILE 65 N 0.00 0.02 -1.10 -0.61 1.08 -1.96 0.24 117.51 115.17 1whf h ILE 65 Ca 0.00 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.82 1whf h ILE 65 Cb 0.00 0.02 -0.13 0.00 -3.07 0.00 0.00 36.82 33.63 1whf h ILE 65 CO 0.00 0.00 0.67 1.23 -0.69 0.00 0.00 178.15 179.36 1whf h GLY 66 N -0.40 1.71 0.00 5.37 0.00 -1.99 -3.46 103.07 104.29 1whf h GLY 66 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1whf h GLY 66 CO -0.59 -0.41 0.00 2.09 0.00 0.00 0.00 176.54 177.63 1whf n ASP 67 N -4.88 0.00 -1.17 0.19 5.75 0.85 -5.12 116.55 112.18 1whf n ASP 67 Ca 0.32 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 55.09 1whf n ASP 67 Cb 1.10 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.19 1whf n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1whf n TYR 68 N 0.84 -0.96 -3.29 2.11 4.11 -1.26 -0.81 117.16 117.90 1whf n TYR 68 Ca 0.00 -0.18 0.03 0.00 -0.00 0.00 0.00 57.90 57.75 1whf n TYR 68 Cb 0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 39.34 39.40 1whf n TYR 68 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1whf s THR 69 N -2.79 -0.97 0.11 -3.48 -4.23 -1.24 -4.95 115.64 98.08 1whf s THR 69 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1whf s THR 69 Cb -0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 1whf s THR 69 CO 0.01 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.24 1whf s THR 71 N -1.28 0.00 -0.09 0.00 2.01 -0.40 -4.76 115.64 111.12 1whf s THR 71 Ca 0.08 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1whf s THR 71 Cb -0.00 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1whf s THR 71 CO 0.06 0.00 -0.10 0.00 -0.69 0.00 0.00 174.62 173.89 1whf n ALA 73 N 4.31 -0.72 -2.59 0.00 0.00 -1.26 -4.70 120.51 115.55 1whf n ALA 73 Ca -0.19 -1.10 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 1whf n ALA 73 Cb 0.51 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1whf n ALA 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1whf s GLU 74 N -3.71 3.29 0.00 0.00 2.12 -1.26 -2.40 118.70 116.74 1whf s GLU 74 Ca 0.37 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.58 1whf s GLU 74 Cb -0.07 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1whf s GLU 74 CO 0.32 -1.94 0.00 0.41 -0.54 0.00 0.00 175.26 173.50 1whf n GLY 75 N 5.26 1.95 3.49 -1.50 0.00 -1.26 -4.92 105.19 108.21 1whf n GLY 75 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1whf n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whf s PHE 76 N -2.00 2.34 0.21 1.61 0.40 -1.01 0.14 117.98 119.67 1whf s PHE 76 Ca 0.00 -0.32 -0.18 0.00 -0.60 0.00 0.00 56.93 55.83 1whf s PHE 76 Cb 0.00 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.52 1whf s PHE 76 CO 0.00 0.68 0.55 -2.00 0.70 0.00 0.00 175.22 175.16 1whf s GLU 77 N -3.44 1.45 0.00 0.44 2.12 0.44 -4.68 118.70 115.03 1whf s GLU 77 Ca 0.29 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1whf s GLU 77 Cb -0.05 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1whf s GLU 77 CO 0.15 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 1whf n GLY 78 N -0.36 1.84 0.37 -1.50 0.00 -1.26 -0.74 105.19 103.53 1whf n GLY 78 Ca -0.09 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1whf n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1whf h LYS 79 N 0.00 1.14 -0.25 1.61 1.63 -2.00 -1.79 116.57 116.91 1whf h LYS 79 Ca 0.00 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.66 1whf h LYS 79 Cb 0.00 -0.26 -0.04 0.00 -0.60 0.00 0.00 32.23 31.33 1whf h LYS 79 CO 0.00 0.75 -0.06 0.09 -3.45 0.00 0.00 179.45 176.79 1whf n ASN 80 N -4.47 2.98 0.00 4.20 4.13 -1.26 -4.90 115.26 115.94 1whf n ASN 80 Ca 0.14 -3.38 0.00 0.00 1.68 0.00 0.00 54.58 53.02 1whf n ASN 80 Cb 0.14 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 1whf n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1whf n GLU 82 N -1.53 -0.05 -2.87 0.00 2.13 -0.42 -2.98 120.64 114.92 1whf n GLU 82 Ca 0.00 0.99 -0.43 0.00 0.66 0.00 0.00 57.16 58.37 1whf n GLU 82 Cb 0.14 -1.56 -0.02 0.00 0.27 0.00 0.00 31.44 30.26 1whf n GLU 82 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1whf s PHE 83 N -5.56 3.05 -0.84 4.31 0.08 0.08 -4.78 117.98 114.32 1whf s PHE 83 Ca -0.09 -1.34 -0.25 0.00 0.12 0.00 0.00 56.93 55.37 1whf s PHE 83 Cb 0.19 -4.34 -0.03 0.00 -0.57 0.00 0.00 43.02 38.27 1whf s PHE 83 CO 0.51 -1.55 1.88 -1.54 -0.10 0.00 0.00 175.22 174.43 1whf s SER 84 N 3.80 5.27 0.57 1.36 1.04 -1.16 -0.42 113.70 124.16 1whf s SER 84 Ca 0.35 -0.47 0.42 0.00 0.48 0.00 0.00 55.95 56.72 1whf s SER 84 Cb -0.04 -2.55 1.53 0.00 0.10 0.00 0.00 66.02 65.06 1whf s SER 84 CO -0.09 -2.56 1.60 0.71 0.98 0.00 0.00 173.24 173.88 1whf h THR 85 N 7.12 0.13 0.00 2.02 1.35 0.92 -3.47 112.91 120.98 1whf h THR 85 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1whf h THR 85 Cb 1.04 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1whf h THR 85 CO 1.23 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 174.39