#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 0.00 0.00 0.00 2.85 -1.26 -4.72 115.26 112.13 1whf n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1whf n ASN 2 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1whf n ASN 2 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1whf n SER 3 N 0.00 0.00 0.06 1.20 2.88 -1.26 -1.80 113.62 114.71 1whf n SER 3 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1whf n SER 3 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 1whf n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1whf n PHE 4 N 0.00 0.30 -1.75 0.66 1.16 -1.26 -5.00 117.46 111.57 1whf n PHE 4 Ca 0.00 0.15 -0.38 0.00 -1.87 0.00 0.00 57.45 55.35 1whf n PHE 4 Cb 0.00 -0.74 -0.03 0.00 -1.61 0.00 0.00 39.48 37.10 1whf n PHE 4 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1whf s LEU 5 N -3.60 3.38 -0.30 5.98 2.96 -0.74 -4.58 118.68 121.78 1whf s LEU 5 Ca 0.01 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 54.92 1whf s LEU 5 Cb 0.04 -2.70 0.20 0.00 0.50 0.00 0.00 46.19 44.23 1whf s LEU 5 CO 0.13 -2.54 0.62 0.68 -1.32 0.00 0.00 176.35 173.92 1whf s VAL 8 N 10.43 -0.95 -0.86 1.68 -7.23 -1.26 -5.15 120.40 117.06 1whf s VAL 8 Ca 0.87 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.86 1whf s VAL 8 Cb -0.18 -0.89 -0.22 0.00 0.56 0.00 0.00 36.38 35.66 1whf s VAL 8 CO 0.26 0.00 2.24 0.29 -0.31 0.00 0.00 175.10 177.58 1whf n LYS 9 N 5.33 0.30 -1.61 4.82 5.02 -1.26 -4.79 118.16 125.96 1whf n LYS 9 Ca 0.06 -0.54 -0.54 0.00 -2.02 0.00 0.00 58.31 55.27 1whf n LYS 9 Cb 0.54 -2.56 -0.06 0.00 -0.02 0.00 0.00 35.03 32.93 1whf n LYS 9 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1whf n GLN 10 N 7.32 1.02 0.01 1.97 6.02 -1.26 -4.84 117.38 127.63 1whf n GLN 10 Ca 0.53 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 1whf n GLN 10 Cb 0.32 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1whf n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1whf n GLY 11 N 2.84 -0.02 0.00 1.08 0.00 -1.26 -5.15 105.19 102.68 1whf n GLY 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1whf n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whf n ASN 12 N -3.08 0.00 -1.85 1.61 4.05 -1.26 -5.11 115.26 109.62 1whf n ASN 12 Ca 0.00 -0.71 -0.21 0.00 0.45 0.00 0.00 54.58 54.11 1whf n ASN 12 Cb 0.35 0.00 0.11 0.00 1.23 0.00 0.00 39.78 41.47 1whf n ASN 12 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1whf n LEU 13 N 0.00 5.62 -3.02 1.20 7.99 -1.26 -4.94 117.00 122.59 1whf n LEU 13 Ca 0.00 -4.22 -0.06 0.00 -0.01 0.00 0.00 56.01 51.72 1whf n LEU 13 Cb 0.00 -0.66 0.01 0.00 -0.11 0.00 0.00 43.42 42.66 1whf n LEU 13 CO 0.00 1.57 -0.41 0.54 -1.51 0.00 0.00 177.39 177.58 1whf n ARG 15 N -0.94 -1.88 -0.30 3.23 1.74 -1.26 -5.02 116.66 112.22 1whf n ARG 15 Ca 0.47 1.74 0.00 0.00 -0.77 0.00 0.00 57.85 59.29 1whf n ARG 15 Cb 0.96 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 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 1.42 6.31 -1.54 0.00 7.99 -1.26 -4.47 117.00 125.45 1whf n LEU 18 Ca 0.00 -4.04 -0.05 0.00 -0.01 0.00 0.00 56.01 51.91 1whf n LEU 18 Cb 0.02 -0.78 -0.01 0.00 -0.11 0.00 0.00 43.42 42.54 1whf n LEU 18 CO 0.02 1.39 0.42 0.00 -1.51 0.00 0.00 177.39 177.70 1whf n ALA 21 N -1.01 3.45 0.00 -1.18 0.00 -1.26 -4.87 120.51 115.64 1whf n ALA 21 Ca 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1whf n ALA 21 Cb 1.09 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.02 3.23 -3.51 0.00 2.88 -1.26 -5.08 113.62 109.86 1whf n SER 23 Ca 0.00 -3.43 -0.20 0.00 -1.33 0.00 0.00 58.87 53.91 1whf n SER 23 Cb 0.00 -0.57 0.02 0.00 -0.75 0.00 0.00 64.21 62.91 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 -0.10 -3.84 0.00 2.46 4.32 -1.26 -5.02 117.00 113.56 1whf n LEU 24 Ca 0.29 -0.71 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 1whf n LEU 24 Cb 0.52 -2.48 0.00 0.00 -1.62 0.00 0.00 43.42 39.84 1whf n LEU 24 CO 0.30 -0.04 0.00 0.00 -1.22 0.00 0.00 177.39 176.42 1whf n ALA 27 N -3.00 0.00 -0.17 -1.18 0.00 -1.26 -5.08 120.51 109.82 1whf n ALA 27 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1whf n ALA 27 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.14 0.35 0.00 0.00 1.85 -1.26 -3.43 116.66 113.03 1whf n ARG 28 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1whf n ARG 28 Cb 0.00 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 1whf n ARG 28 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1whf n VAL 30 N 2.09 0.00 -2.24 8.89 3.14 -1.26 -4.96 118.33 123.99 1whf n VAL 30 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1whf n VAL 30 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 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 -0.23 1.45 1.16 -1.22 -5.03 117.46 113.59 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 0.00 -0.65 -0.63 5.98 9.92 -1.26 -4.90 116.55 125.02 1whf n ASP 33 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1whf n ASP 33 Cb 0.00 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 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 2.03 2.32 0.00 2.24 0.00 -1.26 -0.93 120.51 124.91 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 0.19 0.00 -0.27 0.00 6.02 -1.26 -3.73 117.38 118.32 1whf n GLN 36 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1whf n GLN 36 Cb 0.27 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.45 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 0.01 -0.06 5.09 1.35 -1.38 0.55 112.91 118.46 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 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.43 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 -5.33 1.67 0.00 5.36 2.03 -1.24 -3.30 116.55 115.73 1whf n ASP 38 Ca -0.00 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.21 1whf n ASP 38 Cb 0.31 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1whf n ASP 38 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1whf n PHE 40 N 0.10 0.00 -1.69 -0.67 -0.00 0.19 -3.85 117.46 111.54 1whf n PHE 40 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.18 1whf n PHE 40 Cb 0.38 0.00 0.19 0.00 -0.00 0.00 0.00 39.48 40.05 1whf n PHE 40 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1whf s TRP 41 N 0.00 1.38 0.03 -5.13 0.23 -1.21 -3.93 118.94 110.32 1whf s TRP 41 Ca 0.00 0.40 0.00 0.00 -2.03 0.00 0.00 56.10 54.47 1whf s TRP 41 Cb 0.00 -3.89 0.00 0.00 0.03 0.00 0.00 33.47 29.61 1whf s TRP 41 CO 0.00 -2.94 0.00 0.45 0.96 0.00 0.00 176.95 175.42 1whf n SER 42 N -4.02 -8.67 0.00 2.95 2.88 -1.25 -4.26 113.62 101.25 1whf n SER 42 Ca 0.14 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.29 1whf n SER 42 Cb 0.59 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.33 1whf n SER 42 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1whf n LYS 43 N 1.63 0.00 -0.25 -1.46 5.02 -1.26 -4.86 118.16 116.98 1whf n LYS 43 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1whf n LYS 43 Cb 0.00 -0.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.60 1whf n LYS 43 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1whf h TYR 44 N 0.00 -1.18 0.00 2.13 3.20 -1.74 -3.38 116.97 116.00 1whf h TYR 44 Ca 0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1whf h TYR 44 Cb 0.00 0.59 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1whf h TYR 44 CO 0.00 -0.24 0.03 0.36 -1.64 0.00 0.00 178.16 176.67 1whf n LYS 45 N -4.41 0.00 -0.38 1.82 2.85 -1.26 -4.13 118.16 112.65 1whf n LYS 45 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1whf n LYS 45 Cb 0.17 -0.04 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 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 0.16 0.00 -0.15 -5.58 -0.08 -1.26 -4.94 116.55 104.71 1whf n ASP 46 Ca 0.00 -0.91 -0.02 0.00 -1.51 0.00 0.00 54.79 52.35 1whf n ASP 46 Cb 0.02 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.47 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 0.00 0.36 2.83 0.27 0.00 -1.26 -1.59 105.19 105.80 1whf n GLY 47 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1whf n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whf n ASP 48 N -0.56 -2.51 0.00 1.61 -0.08 -1.26 -1.52 116.55 112.23 1whf n ASP 48 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1whf n ASP 48 Cb 0.33 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.33 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1whf n GLN 49 N -1.60 0.00 -0.00 -0.67 1.13 -0.62 -3.55 117.38 112.06 1whf n GLN 49 Ca 0.00 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 1whf n GLN 49 Cb 0.12 -1.32 -0.09 0.00 0.11 0.00 0.00 30.24 29.06 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 0.00 -0.88 0.00 4.81 -1.54 0.75 114.58 117.73 1whf h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1whf h GLU 51 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1whf h GLU 51 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1whf n GLY 52 N -1.28 1.91 3.90 1.92 0.00 -1.26 -4.88 105.19 105.49 1whf n GLY 52 Ca -0.01 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 0.18 -1.63 0.13 1.61 -0.00 0.26 -4.85 115.22 110.91 1whf n HIS 53 Ca 0.08 0.27 -0.13 0.00 0.46 0.00 0.00 57.72 58.39 1whf n HIS 53 Cb 0.52 -3.11 -0.06 0.00 -0.12 0.00 0.00 29.99 27.22 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 -2.27 -0.36 -7.04 1.57 0.11 -1.88 -3.43 132.00 118.70 1whf h PRO 54 Ca -0.69 0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.05 1whf h PRO 54 Cb 1.38 0.08 0.22 0.00 0.11 0.00 0.00 31.00 32.80 1whf h PRO 54 CO 0.51 -0.24 -0.10 0.00 -0.21 0.00 0.00 178.00 177.95 1whf n LEU 56 N -5.50 0.00 -3.95 0.00 4.77 0.24 -4.81 117.00 107.75 1whf n LEU 56 Ca 0.09 -1.48 -0.37 0.00 -0.03 0.00 0.00 56.01 54.22 1whf n LEU 56 Cb 0.58 1.33 0.01 0.00 -2.33 0.00 0.00 43.42 43.01 1whf n LEU 56 CO 0.48 -0.34 -0.20 0.59 -1.33 0.00 0.00 177.39 176.59 1whf n ASN 57 N -1.86 -4.18 -3.33 -1.43 3.02 -1.26 0.13 115.26 106.36 1whf n ASN 57 Ca 0.00 -1.14 -0.24 0.00 -0.03 0.00 0.00 54.58 53.18 1whf n ASN 57 Cb 0.30 -1.52 0.01 0.00 -0.61 0.00 0.00 39.78 37.96 1whf n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1whf n GLN 58 N -3.98 -3.82 -3.08 3.52 1.13 -1.26 -4.67 117.38 105.22 1whf n GLN 58 Ca -0.19 0.57 -0.39 0.00 -1.94 0.00 0.00 57.00 55.04 1whf n GLN 58 Cb 0.59 -5.32 -0.05 0.00 0.11 0.00 0.00 30.24 25.57 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 -2.75 2.63 0.29 1.08 0.00 0.35 -4.47 107.32 104.44 1whf s GLY 59 Ca 0.40 0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.96 1whf s GLY 59 CO 0.49 1.09 0.96 0.30 0.00 0.00 0.00 173.10 175.94 1whf s HIS 60 N 0.57 3.80 -0.14 1.90 3.76 0.49 -4.42 115.29 121.25 1whf s HIS 60 Ca 0.36 1.83 0.01 0.00 -0.15 0.00 0.00 55.06 57.11 1whf s HIS 60 Cb -0.18 -2.98 -0.01 0.00 1.11 0.00 0.00 32.58 30.53 1whf s HIS 60 CO 0.18 0.24 -0.16 0.00 -0.85 0.00 0.00 174.74 174.15 1whf n LYS 62 N 3.85 2.81 0.00 0.00 3.00 0.17 -4.91 118.16 123.07 1whf n LYS 62 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1whf n LYS 62 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1whf n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1whf n GLY 64 N 4.76 0.30 0.02 3.14 0.00 -0.50 -4.17 105.19 108.75 1whf n GLY 64 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 3.07 0.00 0.00 -0.61 1.08 -1.90 -3.36 117.51 115.79 1whf h ILE 65 Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1whf h ILE 65 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1whf h ILE 65 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1whf n GLY 66 N 1.78 -0.75 0.00 5.37 0.00 -1.26 -4.53 105.19 105.80 1whf n GLY 66 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.91 0.00 -0.04 1.61 5.75 -1.26 -5.03 116.55 115.68 1whf n ASP 67 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1whf n ASP 67 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.00 -0.03 -4.02 2.11 4.11 -1.26 -1.41 117.16 116.66 1whf n TYR 68 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1whf n TYR 68 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.31 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 -2.62 0.00 0.16 -3.48 -4.23 -1.26 -4.89 115.64 99.32 1whf s THR 69 Ca 0.00 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1whf s THR 69 Cb 0.00 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 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 -2.51 -0.60 -0.07 0.00 2.01 0.39 -4.65 115.64 110.20 1whf s THR 71 Ca 0.16 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 1whf s THR 71 Cb 0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1whf s THR 71 CO 0.11 0.00 0.23 0.00 -0.69 0.00 0.00 174.62 174.27 1whf n ALA 73 N 1.87 -1.76 -2.60 0.00 0.00 -1.26 -4.89 120.51 111.87 1whf n ALA 73 Ca -0.18 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 1whf n ALA 73 Cb 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -4.72 3.29 0.00 0.00 2.12 -1.26 -2.64 118.70 115.49 1whf s GLU 74 Ca 0.47 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1whf s GLU 74 Cb -0.03 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.23 1whf s GLU 74 CO 0.35 -1.92 0.00 0.41 -0.54 0.00 0.00 175.26 173.56 1whf n GLY 75 N 5.26 1.53 3.59 -1.50 0.00 -1.26 -4.94 105.19 107.86 1whf n GLY 75 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.67 2.47 0.28 1.61 0.40 -1.08 0.90 117.98 120.90 1whf s PHE 76 Ca 0.00 -0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 55.53 1whf s PHE 76 Cb 0.00 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.95 1whf s PHE 76 CO 0.00 0.51 0.74 -1.21 0.70 0.00 0.00 175.22 175.96 1whf s GLU 77 N -3.67 1.80 0.00 0.44 2.02 0.94 -4.59 118.70 115.65 1whf s GLU 77 Ca 0.34 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1whf s GLU 77 Cb 0.07 0.60 0.00 0.00 0.10 0.00 0.00 34.13 34.90 1whf s GLU 77 CO 0.17 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1whf n GLY 78 N -0.47 0.11 0.34 -1.39 0.00 -1.26 -0.44 105.19 102.07 1whf n GLY 78 Ca -0.05 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.69 -0.85 1.61 3.11 -2.00 -2.27 116.57 115.48 1whf h LYS 79 Ca 0.00 0.05 -0.22 0.00 -2.81 0.00 0.00 60.65 57.67 1whf h LYS 79 Cb 0.00 0.16 -0.13 0.00 -1.00 0.00 0.00 32.23 31.25 1whf h LYS 79 CO 0.00 -0.46 0.28 0.09 -2.81 0.00 0.00 179.45 176.55 1whf n ASN 80 N -5.43 4.10 -0.13 4.20 3.02 -1.26 -4.83 115.26 114.93 1whf n ASN 80 Ca -0.11 -3.02 -0.02 0.00 -0.03 0.00 0.00 54.58 51.41 1whf n ASN 80 Cb 0.33 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.78 1whf n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1whf h GLU 82 N 0.41 0.04 -5.97 0.00 4.81 -1.17 -3.21 114.58 109.49 1whf h GLU 82 Ca -0.04 -0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.56 1whf h GLU 82 Cb 0.55 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1whf h GLU 82 CO 0.05 0.02 1.86 -0.06 -0.73 0.00 0.00 179.01 180.15 1whf s PHE 83 N -6.08 2.65 -0.74 0.92 0.08 0.41 -4.87 117.98 110.35 1whf s PHE 83 Ca -0.13 -1.22 -0.26 0.00 0.12 0.00 0.00 56.93 55.44 1whf s PHE 83 Cb 0.27 -4.72 -0.05 0.00 -0.57 0.00 0.00 43.02 37.95 1whf s PHE 83 CO 0.77 -1.86 2.03 -1.54 -0.10 0.00 0.00 175.22 174.52 1whf s SER 84 N 4.64 4.94 0.65 1.36 1.04 -1.21 -0.04 113.70 125.07 1whf s SER 84 Ca 0.51 -0.04 0.32 0.00 0.48 0.00 0.00 55.95 57.22 1whf s SER 84 Cb 0.02 -2.54 1.77 0.00 0.10 0.00 0.00 66.02 65.37 1whf s SER 84 CO -0.00 -2.79 2.03 0.71 0.98 0.00 0.00 173.24 174.16 1whf h THR 85 N 7.24 0.10 0.00 2.02 1.35 0.27 -3.47 112.91 120.42 1whf h THR 85 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1whf h THR 85 Cb 1.09 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1whf h THR 85 CO 1.18 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 174.34