#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 -1.70 -4.68 0.00 5.03 -1.26 -4.87 115.26 107.78 1whf n ASN 2 Ca 0.00 -1.17 -0.41 0.00 0.87 0.00 0.00 54.58 53.88 1whf n ASN 2 Cb 0.00 -2.31 -0.05 0.00 -1.02 0.00 0.00 39.78 36.40 1whf n ASN 2 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1whf s SER 3 N -4.02 6.88 0.52 6.41 0.01 -1.26 -4.92 113.70 117.33 1whf s SER 3 Ca 0.20 1.07 0.31 0.00 1.31 0.00 0.00 55.95 58.85 1whf s SER 3 Cb -0.10 -2.41 1.11 0.00 0.21 0.00 0.00 66.02 64.83 1whf s SER 3 CO 0.94 -0.29 1.89 0.15 0.41 0.00 0.00 173.24 176.34 1whf h PHE 4 N 7.23 0.00 -3.30 2.43 3.57 -2.00 -3.49 116.94 121.38 1whf h PHE 4 Ca -0.33 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.60 1whf h PHE 4 Cb 1.15 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 1whf h PHE 4 CO 0.70 0.01 1.05 -1.17 -2.23 0.00 0.00 178.31 176.66 1whf s LEU 5 N -6.21 3.63 0.00 0.59 2.96 -1.26 -4.88 118.68 113.51 1whf s LEU 5 Ca 0.03 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 1whf s LEU 5 Cb 0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1whf s LEU 5 CO 0.58 -1.37 0.00 1.33 -1.32 0.00 0.00 176.35 175.56 1whf n VAL 8 N 6.94 0.00 -0.38 1.68 0.24 -1.26 -5.12 118.33 120.43 1whf n VAL 8 Ca 0.16 0.00 0.37 0.00 -2.04 0.00 0.00 64.34 62.83 1whf n VAL 8 Cb 0.48 0.00 0.62 0.00 -1.47 0.00 0.00 33.84 33.47 1whf n VAL 8 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1whf h LYS 9 N 0.00 0.00 -4.44 7.34 1.57 -2.03 -3.44 116.57 115.57 1whf h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1whf h LYS 9 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1whf h LYS 9 CO 0.00 0.00 -0.23 0.94 -0.57 0.00 0.00 179.45 179.59 1whf n GLN 10 N -3.59 -1.32 0.00 3.15 7.27 -1.26 -4.99 117.38 116.65 1whf n GLN 10 Ca 0.30 1.41 0.00 0.00 0.07 0.00 0.00 57.00 58.78 1whf n GLN 10 Cb 1.63 -4.12 0.00 0.00 2.41 0.00 0.00 30.24 30.16 1whf n GLN 10 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1whf n GLY 11 N -0.66 1.86 0.00 1.69 0.00 -1.26 -5.17 105.19 101.65 1whf n GLY 11 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.01 1.61 3.02 -1.26 -5.14 115.26 113.48 1whf n ASN 12 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1whf n ASN 12 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1whf n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1whf n LEU 13 N 0.00 0.72 0.00 3.41 4.32 -1.26 -4.84 117.00 119.35 1whf n LEU 13 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1whf n LEU 13 Cb 0.00 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1whf n LEU 13 CO 0.00 -0.50 0.00 0.54 -1.22 0.00 0.00 177.39 176.21 1whf n ARG 15 N -3.20 -1.50 0.00 3.23 1.74 -1.26 -4.38 116.66 111.30 1whf n ARG 15 Ca -0.03 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1whf n ARG 15 Cb 0.13 -3.37 0.00 0.00 -1.02 0.00 0.00 32.46 28.20 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 0.00 0.00 0.00 0.00 7.94 -1.26 -2.89 117.00 120.79 1whf n LEU 18 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1whf n LEU 18 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1whf n LEU 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1whf n ALA 21 N 0.00 0.00 -2.47 1.96 0.00 -1.26 -4.82 120.51 113.93 1whf n ALA 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1whf n ALA 21 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.42 1.95 -1.63 0.00 2.88 -1.26 -5.08 113.62 109.07 1whf n SER 23 Ca -0.04 -2.38 -0.01 0.00 -1.33 0.00 0.00 58.87 55.11 1whf n SER 23 Cb 0.65 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1whf n SER 23 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1whf n LEU 24 N -0.82 -2.31 0.00 2.46 7.99 -1.26 -5.09 117.00 117.96 1whf n LEU 24 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1whf n LEU 24 Cb 0.43 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 1whf n LEU 24 CO 0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 177.39 175.86 1whf n ALA 27 N -1.48 0.00 0.00 -1.18 0.00 -1.26 -5.08 120.51 111.51 1whf n ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1whf n ALA 27 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.00 0.00 0.00 1.74 -1.26 -2.58 116.66 114.56 1whf n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1whf n ARG 28 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.21 0.00 -3.65 1.55 3.14 -1.26 -4.93 118.33 114.38 1whf n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1whf n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1whf n VAL 30 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1whf n PHE 31 N 0.00 0.00 -0.02 1.45 1.16 -1.06 -4.98 117.46 114.00 1whf n PHE 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1whf n PHE 31 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1whf n PHE 31 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1whf n ASP 33 N -1.68 -0.36 -0.59 5.98 8.00 -1.26 -4.82 116.55 121.82 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 0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 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 2.39 2.56 0.00 2.24 0.00 -1.26 -0.91 120.51 125.53 1whf n ALA 34 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1whf n ALA 34 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.37 0.00 1.13 -1.26 -3.62 117.38 113.32 1whf n GLN 36 Ca 0.01 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 1whf n GLN 36 Cb 0.31 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.58 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 -0.03 5.09 1.35 -1.34 0.47 112.91 118.45 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 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1whf h THR 37 CO 0.00 0.00 0.01 -0.67 -0.25 0.00 0.00 175.52 174.61 1whf n ASP 38 N -5.30 1.61 0.00 5.36 -0.08 -1.24 -3.20 116.55 113.71 1whf n ASP 38 Ca 0.02 -2.05 0.00 0.00 -1.51 0.00 0.00 54.79 51.25 1whf n ASP 38 Cb 0.29 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.24 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 0.11 0.00 -0.00 -0.67 -0.00 0.16 0.23 117.46 117.30 1whf n PHE 40 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1whf n PHE 40 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.83 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 0.00 0.00 -5.13 -0.00 -1.62 -3.29 115.95 105.91 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 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1whf h TRP 41 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 178.44 178.89 1whf n SER 42 N -2.22 0.00 -1.10 -3.49 2.88 0.14 -0.90 113.62 108.92 1whf n SER 42 Ca -0.00 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1whf n SER 42 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 -2.13 0.91 -0.01 -1.46 2.85 -1.26 -4.29 118.16 112.76 1whf n LYS 43 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1whf n LYS 43 Cb 0.00 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 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 0.73 0.03 -0.29 5.58 4.19 -0.08 -4.03 117.16 123.29 1whf n TYR 44 Ca 0.00 -0.18 -0.13 0.00 3.31 0.00 0.00 57.90 60.90 1whf n TYR 44 Cb 0.46 -0.16 0.08 0.00 0.49 0.00 0.00 39.34 40.21 1whf n TYR 44 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1whf n LYS 45 N 0.17 1.68 -0.07 2.98 2.85 -1.26 -3.85 118.16 120.66 1whf n LYS 45 Ca 0.01 -1.56 0.05 0.00 -1.05 0.00 0.00 58.31 55.75 1whf n LYS 45 Cb 0.35 -1.61 0.09 0.00 -0.65 0.00 0.00 35.03 33.20 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 -0.23 2.30 -0.52 -5.58 -0.08 -1.26 -4.94 116.55 106.24 1whf n ASP 46 Ca 0.31 -1.67 -0.07 0.00 -1.51 0.00 0.00 54.79 51.85 1whf n ASP 46 Cb 1.00 -0.09 -0.03 0.00 2.34 0.00 0.00 41.12 44.34 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 0.55 0.85 1.81 0.27 0.00 -1.25 -1.55 105.19 105.86 1whf n GLY 47 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.08 -1.96 0.00 1.61 5.68 -1.26 -2.47 116.55 118.07 1whf n ASP 48 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1whf n ASP 48 Cb 0.33 -0.33 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 -2.65 0.00 -0.01 0.11 1.13 -0.60 -4.55 117.38 110.82 1whf n GLN 49 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1whf n GLN 49 Cb 0.00 -1.73 -0.12 0.00 0.11 0.00 0.00 30.24 28.50 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whf n GLU 51 N -2.04 1.35 0.00 0.00 2.13 -1.03 -1.31 120.64 119.74 1whf n GLU 51 Ca -0.03 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1whf n GLU 51 Cb 0.40 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.16 1whf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whf n GLY 52 N 1.76 0.67 3.07 8.31 0.00 -1.26 -4.56 105.19 113.18 1whf n GLY 52 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -2.65 -0.29 1.61 -0.00 -0.42 -4.89 115.22 106.57 1whf n HIS 53 Ca 0.00 0.98 0.01 0.00 0.46 0.00 0.00 57.72 59.17 1whf n HIS 53 Cb 0.00 -4.03 0.21 0.00 -0.12 0.00 0.00 29.99 26.05 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 -0.19 1.07 -7.45 1.57 0.11 -1.80 -3.42 132.00 121.89 1whf h PRO 54 Ca -0.25 -0.06 -0.44 0.00 0.11 0.00 0.00 66.00 65.35 1whf h PRO 54 Cb 1.13 -0.24 0.16 0.00 0.11 0.00 0.00 31.00 32.15 1whf h PRO 54 CO 0.34 0.71 0.23 0.00 -0.21 0.00 0.00 178.00 179.08 1whf n LEU 56 N -4.15 0.00 -3.85 0.00 4.77 0.17 -4.85 117.00 109.09 1whf n LEU 56 Ca 0.08 -1.54 -0.36 0.00 -0.03 0.00 0.00 56.01 54.16 1whf n LEU 56 Cb 0.59 1.12 0.03 0.00 -2.33 0.00 0.00 43.42 42.82 1whf n LEU 56 CO 0.54 -0.31 -0.12 0.59 -1.33 0.00 0.00 177.39 176.76 1whf n ASN 57 N -2.07 -4.85 -3.18 -1.43 5.03 -1.25 0.47 115.26 107.98 1whf n ASN 57 Ca 0.02 -1.10 -0.18 0.00 0.87 0.00 0.00 54.58 54.19 1whf n ASN 57 Cb 0.31 -2.45 -0.02 0.00 -1.02 0.00 0.00 39.78 36.60 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 -4.25 -2.64 -2.62 3.52 6.02 -1.26 -4.65 117.38 111.50 1whf n GLN 58 Ca -0.13 0.29 -0.32 0.00 -0.01 0.00 0.00 57.00 56.82 1whf n GLN 58 Cb 0.59 -4.89 -0.05 0.00 1.02 0.00 0.00 30.24 26.91 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 -2.50 2.22 0.80 1.08 0.00 0.18 -4.39 107.32 104.71 1whf s GLY 59 Ca 0.30 0.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.17 1whf s GLY 59 CO 0.37 0.55 1.17 -1.58 0.00 0.00 0.00 173.10 173.60 1whf s HIS 60 N -2.40 2.98 -0.04 1.90 2.46 -0.72 -4.68 115.29 114.80 1whf s HIS 60 Ca 0.60 0.79 -0.01 0.00 0.47 0.00 0.00 55.06 56.91 1whf s HIS 60 Cb -0.09 -3.44 0.03 0.00 -0.13 0.00 0.00 32.58 28.94 1whf s HIS 60 CO 0.22 -1.72 0.07 0.00 -2.47 0.00 0.00 174.74 170.84 1whf n LYS 62 N 4.65 1.58 0.00 0.00 4.01 0.38 -4.97 118.16 123.81 1whf n LYS 62 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1whf n LYS 62 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 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 5.00 0.00 5.62 0.72 0.00 -0.75 -3.64 105.19 112.14 1whf n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.22 -0.61 2.08 -1.26 -3.09 119.36 116.26 1whf n ILE 65 Ca 0.00 0.00 0.20 0.00 0.56 0.00 0.00 62.75 63.51 1whf n ILE 65 Cb 0.00 0.00 0.36 0.00 -0.75 0.00 0.00 39.64 39.25 1whf n ILE 65 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1whf n GLY 66 N 0.00 -0.45 0.00 7.39 0.00 -1.26 -4.70 105.19 106.18 1whf n GLY 66 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1whf n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whf n ASP 67 N -4.06 0.00 -3.63 1.61 5.75 -1.18 -5.11 116.55 109.93 1whf n ASP 67 Ca 0.22 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.87 1whf n ASP 67 Cb 0.80 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.82 1whf n ASP 67 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1whf s TYR 68 N -1.05 -0.80 -0.26 2.11 1.13 -1.26 -1.80 117.35 115.42 1whf s TYR 68 Ca 0.00 1.91 -0.08 0.00 -1.41 0.00 0.00 57.07 57.49 1whf s TYR 68 Cb 0.00 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1whf s TYR 68 CO 0.00 -0.39 0.10 0.95 -2.51 0.00 0.00 175.55 173.70 1whf s THR 69 N 0.48 4.56 0.00 -3.49 -4.23 -1.24 -4.89 115.64 106.83 1whf s THR 69 Ca -0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1whf s THR 69 Cb -0.05 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1whf s THR 69 CO -0.01 0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.39 1whf s THR 71 N -0.66 0.00 -0.12 0.00 2.01 -0.60 -4.71 115.64 111.56 1whf s THR 71 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1whf s THR 71 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1whf s THR 71 CO 0.00 0.00 -0.14 0.00 -0.69 0.00 0.00 174.62 173.79 1whf n ALA 73 N 4.48 -1.70 -2.59 0.00 0.00 -1.26 -4.65 120.51 114.78 1whf n ALA 73 Ca -0.18 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1whf n ALA 73 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.82 3.29 0.00 0.00 2.12 -1.26 -2.32 118.70 117.71 1whf s GLU 74 Ca 0.22 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.40 1whf s GLU 74 Cb -0.04 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1whf s GLU 74 CO 0.18 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.36 1whf n GLY 75 N 5.27 1.88 3.45 -1.50 0.00 -1.26 -4.91 105.19 108.12 1whf n GLY 75 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 2.31 0.19 1.61 0.40 -0.98 -0.41 117.98 119.10 1whf s PHE 76 Ca 0.00 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 55.77 1whf s PHE 76 Cb 0.00 -1.07 0.06 0.00 0.51 0.00 0.00 43.02 42.52 1whf s PHE 76 CO 0.00 0.62 0.64 -1.83 0.70 0.00 0.00 175.22 175.35 1whf s GLU 77 N -3.13 1.42 0.00 0.44 -1.05 -1.15 -4.15 118.70 111.08 1whf s GLU 77 Ca 0.26 -0.62 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 0.13 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.11 1whf n GLY 78 N -0.40 2.25 0.34 -3.83 0.00 -1.26 -1.22 105.19 101.07 1whf n GLY 78 Ca -0.13 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 43.95 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 0.57 0.00 1.61 1.63 -2.01 -1.75 116.57 116.61 1whf h LYS 79 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1whf h LYS 79 Cb 0.00 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 1whf h LYS 79 CO 0.00 0.37 -0.40 0.09 -3.45 0.00 0.00 179.45 176.06 1whf n ASN 80 N -4.48 1.79 -0.07 4.20 3.02 -1.26 -4.89 115.26 113.57 1whf n ASN 80 Ca 0.09 -3.52 -0.01 0.00 -0.03 0.00 0.00 54.58 51.11 1whf n ASN 80 Cb 0.24 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.35 -0.04 -0.03 0.00 2.13 -0.64 -3.94 120.64 117.77 1whf n GLU 82 Ca -0.01 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1whf n GLU 82 Cb 0.36 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.51 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 -4.63 -0.09 -3.68 4.31 3.72 -0.36 -4.77 117.46 111.97 1whf n PHE 83 Ca 0.20 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.48 1whf n PHE 83 Cb 0.67 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.00 0.01 0.35 4.37 1.04 -1.26 -2.93 113.70 114.29 1whf s SER 84 Ca 0.00 0.70 0.27 0.00 0.48 0.00 0.00 55.95 57.40 1whf s SER 84 Cb 0.00 0.79 1.13 0.00 0.10 0.00 0.00 66.02 68.04 1whf s SER 84 CO 0.00 -0.22 1.80 0.71 0.98 0.00 0.00 173.24 176.51 1whf h THR 85 N 6.10 0.00 0.00 2.02 1.35 -0.89 -3.46 112.91 118.04 1whf h THR 85 Ca -0.22 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1whf h THR 85 Cb 1.13 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1whf h THR 85 CO 0.19 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.00