#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 -5.15 -4.52 0.00 3.02 -1.26 -4.21 115.26 103.14 1whf n ASN 2 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1whf n ASN 2 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1whf n ASN 2 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1whf n SER 3 N -3.05 0.15 -0.14 6.41 7.64 -1.26 -4.72 113.62 118.66 1whf n SER 3 Ca 0.00 -0.67 -0.09 0.00 1.01 0.00 0.00 58.87 59.12 1whf n SER 3 Cb 0.00 -1.02 -0.01 0.00 -1.01 0.00 0.00 64.21 62.17 1whf n SER 3 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1whf h PHE 4 N 12.61 0.64 -2.63 1.43 3.57 -1.96 -3.50 116.94 127.10 1whf h PHE 4 Ca -0.02 -0.06 -0.53 0.00 3.53 0.00 0.00 57.97 60.90 1whf h PHE 4 Cb 1.14 -0.19 0.03 0.00 2.79 0.00 0.00 35.95 39.73 1whf h PHE 4 CO 1.23 0.58 1.04 -1.17 -2.23 0.00 0.00 178.31 177.76 1whf s LEU 5 N -9.74 4.38 0.00 0.59 2.96 -1.26 -5.09 118.68 110.52 1whf s LEU 5 Ca -0.13 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1whf s LEU 5 Cb 0.10 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1whf s LEU 5 CO 0.76 -0.94 0.00 0.55 -1.32 0.00 0.00 176.35 175.40 1whf n VAL 8 N 4.65 0.00 0.77 1.68 3.14 -1.26 -5.19 118.33 122.12 1whf n VAL 8 Ca 0.16 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.54 1whf n VAL 8 Cb 0.39 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.20 1whf n VAL 8 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1whf n LYS 9 N 0.00 1.29 0.00 1.45 3.00 -1.26 -4.76 118.16 117.88 1whf n LYS 9 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 58.31 57.97 1whf n LYS 9 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.66 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 0.19 0.00 -3.55 1.64 10.64 -1.26 -4.87 117.38 120.17 1whf n GLN 10 Ca 0.05 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.25 1whf n GLN 10 Cb 0.49 -1.41 -0.06 0.00 -0.86 0.00 0.00 30.24 28.40 1whf n GLN 10 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1whf s GLY 11 N -1.83 0.59 0.25 2.61 0.00 -1.26 -5.17 107.32 102.51 1whf s GLY 11 Ca 0.00 3.84 0.09 0.00 0.00 0.00 0.00 44.72 48.65 1whf s GLY 11 CO 0.00 2.91 0.06 -1.31 0.00 0.00 0.00 173.10 174.76 1whf s ASN 12 N 1.24 4.89 0.00 1.64 -0.87 -1.26 -5.11 114.94 115.47 1whf s ASN 12 Ca -0.06 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 50.74 1whf s ASN 12 Cb -0.02 -1.05 0.00 0.00 -0.02 0.00 0.00 41.25 40.17 1whf s ASN 12 CO -0.11 -0.00 0.00 -0.11 -2.57 0.00 0.00 177.10 174.31 1whf n LEU 13 N -0.91 0.00 0.00 0.60 -0.00 -1.26 -4.60 117.00 110.83 1whf n LEU 13 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1whf n LEU 13 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1whf n LEU 13 CO 0.41 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.34 1whf n ARG 15 N 0.00 0.00 0.30 1.96 1.74 -1.26 -5.21 116.66 114.20 1whf n ARG 15 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1whf n ARG 15 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1whf n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1whf n LEU 18 N -5.56 0.00 0.00 0.00 7.99 -1.26 -4.45 117.00 113.71 1whf n LEU 18 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1whf n LEU 18 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1whf n LEU 18 CO 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.16 1whf n ALA 21 N 0.00 0.00 0.00 -1.18 0.00 -1.26 -4.59 120.51 113.48 1whf n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1whf n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -4.56 0.00 3.41 -1.26 -4.62 113.62 106.59 1whf n SER 23 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1whf n SER 23 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1whf n SER 23 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1whf s LEU 24 N 0.00 3.47 0.00 1.04 0.20 -1.26 -4.76 118.68 117.37 1whf s LEU 24 Ca 0.00 -1.38 0.00 0.00 0.69 0.00 0.00 54.13 53.44 1whf s LEU 24 Cb 0.00 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1whf s LEU 24 CO 0.00 -1.62 0.00 0.00 -0.29 0.00 0.00 176.35 174.44 1whf n ALA 27 N 9.37 0.00 -0.17 5.97 0.00 -1.26 -5.15 120.51 129.27 1whf n ALA 27 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 1whf n ALA 27 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1whf n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1whf n ARG 28 N 0.00 0.33 0.00 0.00 1.85 -1.26 -2.04 116.66 115.54 1whf n ARG 28 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1whf n ARG 28 Cb 0.00 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 1whf n ARG 28 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1whf n VAL 30 N 2.22 0.00 -2.84 8.89 0.31 -1.26 -4.95 118.33 120.70 1whf n VAL 30 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1whf n VAL 30 Cb 0.16 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1whf n VAL 30 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1whf n PHE 31 N 0.00 -0.49 -1.15 3.52 3.01 -0.87 -4.34 117.46 117.14 1whf n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1whf n PHE 31 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1whf n PHE 31 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1whf n ASP 33 N -0.66 -1.53 -0.50 4.37 8.00 -1.26 -5.01 116.55 119.96 1whf n ASP 33 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1whf n ASP 33 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1whf n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1whf n ALA 34 N 0.21 2.30 0.00 2.24 0.00 -1.26 -1.45 120.51 122.55 1whf n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 0.06 0.00 -0.08 0.00 1.13 -1.26 -3.82 117.38 113.42 1whf n GLN 36 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1whf n GLN 36 Cb 0.22 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.47 1whf n GLN 36 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1whf h THR 37 N 0.00 0.00 -0.07 5.09 1.35 -1.64 0.39 112.91 118.02 1whf h THR 37 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1whf h THR 37 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 1whf h THR 37 CO 0.00 0.00 0.02 -0.67 -0.25 0.00 0.00 175.52 174.62 1whf n ASP 38 N -5.34 1.90 0.00 5.36 -0.08 -1.25 -3.44 116.55 113.70 1whf n ASP 38 Ca -0.05 -2.12 0.00 0.00 -1.51 0.00 0.00 54.79 51.11 1whf n ASP 38 Cb 0.35 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.29 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 0.13 0.00 -1.97 -0.67 7.35 0.14 -3.84 117.46 118.60 1whf n PHE 40 Ca 0.04 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.43 1whf n PHE 40 Cb 0.42 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.44 1whf n PHE 40 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1whf s TRP 41 N 0.00 1.49 -0.06 -5.13 0.23 -1.22 -4.34 118.94 109.91 1whf s TRP 41 Ca 0.00 0.25 -0.05 0.00 -2.03 0.00 0.00 56.10 54.27 1whf s TRP 41 Cb 0.00 -4.10 0.02 0.00 0.03 0.00 0.00 33.47 29.42 1whf s TRP 41 CO 0.00 -2.66 0.10 0.45 0.96 0.00 0.00 176.95 175.80 1whf n SER 42 N -3.75 -4.66 -0.03 2.95 2.88 -1.25 -4.47 113.62 105.31 1whf n SER 42 Ca 0.16 1.35 -0.00 0.00 -1.33 0.00 0.00 58.87 59.04 1whf n SER 42 Cb 0.59 -4.52 -0.00 0.00 -0.75 0.00 0.00 64.21 59.53 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 1.47 -0.07 -0.28 -1.46 -0.00 -1.26 -4.90 118.16 111.66 1whf n LYS 43 Ca -0.17 0.23 -0.02 0.00 -0.00 0.00 0.00 58.31 58.35 1whf n LYS 43 Cb 0.26 -3.49 0.01 0.00 -0.00 0.00 0.00 35.03 31.81 1whf n LYS 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1whf n TYR 44 N -2.97 0.22 -0.59 5.58 4.19 -1.26 -4.29 117.16 118.04 1whf n TYR 44 Ca -0.00 -0.82 -0.17 0.00 3.31 0.00 0.00 57.90 60.21 1whf n TYR 44 Cb 0.02 -0.41 0.10 0.00 0.49 0.00 0.00 39.34 39.54 1whf n TYR 44 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1whf n LYS 45 N 0.78 1.87 -0.02 2.98 4.76 -1.26 -3.90 118.16 123.36 1whf n LYS 45 Ca 0.04 -1.96 0.02 0.00 -2.87 0.00 0.00 58.31 53.54 1whf n LYS 45 Cb 0.55 -1.77 0.03 0.00 -1.84 0.00 0.00 35.03 32.00 1whf n LYS 45 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1whf n ASP 46 N -0.41 1.71 0.00 4.39 -0.08 -1.26 -4.98 116.55 115.92 1whf n ASP 46 Ca 0.39 -1.46 0.00 0.00 -1.51 0.00 0.00 54.79 52.21 1whf n ASP 46 Cb 1.07 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.50 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 0.13 1.89 0.00 0.27 0.00 -1.25 -3.52 105.19 102.71 1whf n GLY 47 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.58 0.00 0.00 1.61 5.68 -1.26 -4.75 116.55 119.42 1whf n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1whf n ASP 48 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1whf n GLN 49 N 0.00 0.00 -0.03 0.11 1.13 -1.23 -3.90 117.38 113.46 1whf n GLN 49 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1whf n GLN 49 Cb 0.00 -2.72 0.00 0.00 0.11 0.00 0.00 30.24 27.64 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whf h GLU 51 N 0.00 -0.39 0.00 0.00 4.81 -1.81 -1.22 114.58 115.97 1whf h GLU 51 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1whf h GLU 51 Cb 0.91 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1whf h GLU 51 CO 0.00 -0.26 0.00 0.41 -0.73 0.00 0.00 179.01 178.43 1whf n GLY 52 N -1.29 -0.61 2.41 1.92 0.00 -1.26 -4.87 105.19 101.48 1whf n GLY 52 Ca -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1whf n GLY 52 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1whf n HIS 53 N -1.19 -1.75 -0.26 1.61 -0.00 -0.46 -4.92 115.22 108.25 1whf n HIS 53 Ca 0.07 0.67 -0.01 0.00 0.46 0.00 0.00 57.72 58.92 1whf n HIS 53 Cb 0.08 -3.03 0.20 0.00 -0.12 0.00 0.00 29.99 27.12 1whf n HIS 53 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1whf h PRO 54 N 0.29 1.09 -7.63 1.57 0.11 -1.85 -3.43 132.00 122.15 1whf h PRO 54 Ca 0.00 -0.08 -0.46 0.00 0.11 0.00 0.00 66.00 65.58 1whf h PRO 54 Cb 0.99 -0.24 0.13 0.00 0.11 0.00 0.00 31.00 31.99 1whf h PRO 54 CO 0.17 0.74 0.37 0.00 -0.21 0.00 0.00 178.00 179.07 1whf n LEU 56 N -3.64 0.00 -3.92 0.00 4.77 0.23 -4.87 117.00 109.57 1whf n LEU 56 Ca 0.10 -1.01 -0.37 0.00 -0.03 0.00 0.00 56.01 54.70 1whf n LEU 56 Cb 0.60 0.94 0.02 0.00 -2.33 0.00 0.00 43.42 42.64 1whf n LEU 56 CO 0.53 -0.24 -0.17 0.59 -1.33 0.00 0.00 177.39 176.78 1whf n ASN 57 N -1.90 -4.58 -3.06 -1.43 5.03 -1.23 0.56 115.26 108.65 1whf n ASN 57 Ca -0.00 -1.14 -0.18 0.00 0.87 0.00 0.00 54.58 54.13 1whf n ASN 57 Cb 0.21 -1.91 -0.01 0.00 -1.02 0.00 0.00 39.78 37.05 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 -4.11 -2.88 -2.71 3.52 1.13 -1.26 -4.64 117.38 106.43 1whf n GLN 58 Ca -0.18 0.41 -0.38 0.00 -1.94 0.00 0.00 57.00 54.92 1whf n GLN 58 Cb 0.61 -5.05 -0.06 0.00 0.11 0.00 0.00 30.24 25.85 1whf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1whf s GLY 59 N -2.46 2.86 -0.14 1.08 0.00 0.19 -4.44 107.32 104.40 1whf s GLY 59 Ca 0.26 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.28 1whf s GLY 59 CO 0.32 1.07 1.07 0.30 0.00 0.00 0.00 173.10 175.86 1whf s HIS 60 N -1.53 3.35 -0.36 1.90 3.76 -0.64 -4.68 115.29 117.10 1whf s HIS 60 Ca 0.50 1.44 -0.13 0.00 -0.15 0.00 0.00 55.06 56.72 1whf s HIS 60 Cb -0.21 -3.28 -0.00 0.00 1.11 0.00 0.00 32.58 30.20 1whf s HIS 60 CO 0.27 -0.61 0.24 0.00 -0.85 0.00 0.00 174.74 173.79 1whf n LYS 62 N 5.09 0.51 0.00 0.00 4.01 0.29 -4.94 118.16 123.11 1whf n LYS 62 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 1whf n LYS 62 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1whf n LYS 62 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1whf n GLY 64 N 4.89 1.94 0.06 0.72 0.00 -0.96 -3.91 105.19 107.93 1whf n GLY 64 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.24 1whf n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1whf n ILE 65 N -1.84 1.21 -0.01 -0.61 2.08 -1.26 -4.01 119.36 114.93 1whf n ILE 65 Ca 0.00 0.24 0.23 0.00 0.56 0.00 0.00 62.75 63.78 1whf n ILE 65 Cb 0.00 -2.24 0.61 0.00 -0.75 0.00 0.00 39.64 37.27 1whf n ILE 65 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1whf h GLY 66 N -0.84 0.00 0.00 7.39 0.00 -1.94 -3.45 103.07 104.23 1whf h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1whf h GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1whf n ASP 67 N -3.44 0.00 -0.71 0.19 5.75 -1.26 -5.11 116.55 111.97 1whf n ASP 67 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1whf n ASP 67 Cb 0.97 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 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 1.36 -0.70 -4.12 2.11 4.11 -1.26 -2.27 117.16 116.38 1whf n TYR 68 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1whf n TYR 68 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.26 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 -2.98 0.00 0.17 -3.48 -4.23 -1.25 -4.97 115.64 98.89 1whf s THR 69 Ca 0.00 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1whf s THR 69 Cb 0.00 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 1whf s THR 69 CO 0.00 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.19 1whf s THR 71 N -2.48 0.00 -0.14 0.00 2.01 0.13 -4.73 115.64 110.43 1whf s THR 71 Ca 0.15 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1whf s THR 71 Cb 0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.53 1whf s THR 71 CO 0.11 0.00 -0.21 0.00 -0.69 0.00 0.00 174.62 173.83 1whf n ALA 73 N 4.12 -4.51 -2.42 0.00 0.00 -1.26 -4.71 120.51 111.73 1whf n ALA 73 Ca -0.20 -1.31 -0.41 0.00 0.00 0.00 0.00 53.44 51.52 1whf n ALA 73 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.63 3.10 0.00 0.00 2.12 -1.26 -1.90 118.70 116.13 1whf s GLU 74 Ca 0.57 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1whf s GLU 74 Cb -0.10 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.08 1whf s GLU 74 CO 0.48 -2.23 0.00 0.41 -0.54 0.00 0.00 175.26 173.38 1whf n GLY 75 N 5.42 1.98 3.52 -1.50 0.00 -1.26 -4.92 105.19 108.42 1whf n GLY 75 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 2.44 0.20 1.61 0.40 -0.80 -0.52 117.98 119.31 1whf s PHE 76 Ca 0.00 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.81 1whf s PHE 76 Cb 0.00 -1.11 0.05 0.00 0.51 0.00 0.00 43.02 42.47 1whf s PHE 76 CO 0.00 0.62 0.64 -1.83 0.70 0.00 0.00 175.22 175.36 1whf s GLU 77 N -3.28 1.44 0.00 0.44 -1.05 -1.16 -4.26 118.70 110.83 1whf s GLU 77 Ca 0.28 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1whf s GLU 77 Cb -0.06 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1whf s GLU 77 CO 0.15 -0.64 0.00 0.41 0.95 0.00 0.00 175.26 176.13 1whf n GLY 78 N -0.41 2.14 0.37 -3.83 0.00 -1.26 -1.18 105.19 101.02 1whf n GLY 78 Ca -0.13 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 43.93 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 1.01 -0.05 1.61 1.63 -2.00 -1.78 116.57 116.99 1whf h LYS 79 Ca 0.00 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1whf h LYS 79 Cb 0.00 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1whf h LYS 79 CO 0.00 0.67 -0.42 0.09 -3.45 0.00 0.00 179.45 176.34 1whf n ASN 80 N -4.54 1.84 -0.07 4.20 3.02 -1.26 -4.89 115.26 113.56 1whf n ASN 80 Ca 0.16 -3.85 -0.01 0.00 -0.03 0.00 0.00 54.58 50.85 1whf n ASN 80 Cb 0.27 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1whf n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1whf n GLU 82 N -0.83 -0.04 -0.11 0.00 2.13 -0.43 -3.94 120.64 117.42 1whf n GLU 82 Ca -0.01 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1whf n GLU 82 Cb 0.30 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1whf n GLU 82 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1whf n PHE 83 N -4.45 -0.30 -3.55 4.31 3.72 -0.33 -4.77 117.46 112.10 1whf n PHE 83 Ca 0.12 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 1whf n PHE 83 Cb 0.41 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.83 1whf n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1whf s SER 84 N -0.87 0.54 0.52 4.37 1.04 -1.26 -3.00 113.70 115.04 1whf s SER 84 Ca 0.00 0.33 0.35 0.00 0.48 0.00 0.00 55.95 57.11 1whf s SER 84 Cb 0.00 0.78 1.76 0.00 0.10 0.00 0.00 66.02 68.65 1whf s SER 84 CO 0.00 -0.28 2.06 0.71 0.98 0.00 0.00 173.24 176.71 1whf h THR 85 N 6.26 0.00 0.00 2.02 1.35 -0.99 -3.46 112.91 118.09 1whf h THR 85 Ca -0.16 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1whf h THR 85 Cb 1.13 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1whf h THR 85 CO 0.20 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.36