#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whf s ASN 2 N 0.00 -0.06 0.00 0.00 2.20 -1.26 -5.01 114.94 110.81 1whf s ASN 2 Ca 0.00 0.67 0.00 0.00 -0.94 0.00 0.00 52.86 52.59 1whf s ASN 2 Cb 0.00 0.70 0.00 0.00 -2.00 0.00 0.00 41.25 39.95 1whf s ASN 2 CO 0.00 -0.21 0.00 -1.20 -2.94 0.00 0.00 177.10 172.75 1whf n SER 3 N 4.83 0.00 -0.01 3.54 7.64 -1.26 -4.99 113.62 123.36 1whf n SER 3 Ca -0.15 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.76 1whf n SER 3 Cb 0.52 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.00 0.01 -2.16 1.43 -1.74 -1.26 -5.06 117.46 108.68 1whf n PHE 4 Ca 0.00 -0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 1whf n PHE 4 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 1whf n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1whf s LEU 5 N -1.21 3.53 -0.29 5.98 1.43 -1.26 -4.51 118.68 122.34 1whf s LEU 5 Ca 0.10 1.03 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1whf s LEU 5 Cb 0.05 -3.47 0.20 0.00 0.03 0.00 0.00 46.19 42.99 1whf s LEU 5 CO 0.08 -1.62 0.62 0.68 0.23 0.00 0.00 176.35 176.34 1whf s VAL 8 N 6.31 -0.96 0.66 -1.59 -7.23 -1.26 -5.08 120.40 111.25 1whf s VAL 8 Ca 0.70 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 61.00 1whf s VAL 8 Cb -0.18 -0.97 0.13 0.00 0.56 0.00 0.00 36.38 35.92 1whf s VAL 8 CO 0.32 0.00 1.36 0.11 -0.31 0.00 0.00 175.10 176.59 1whf h LYS 9 N 7.97 0.00 -6.89 4.82 1.57 -1.96 -3.43 116.57 118.65 1whf h LYS 9 Ca -0.06 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.14 1whf h LYS 9 Cb 1.18 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.38 1whf h LYS 9 CO 0.16 0.00 -0.96 0.00 -0.57 0.00 0.00 179.45 178.08 1whf n GLN 10 N -2.69 -1.23 -4.32 3.15 10.64 -1.26 -4.94 117.38 116.73 1whf n GLN 10 Ca 0.00 0.17 -0.19 0.00 -1.83 0.00 0.00 57.00 55.15 1whf n GLN 10 Cb 0.78 -3.53 -0.13 0.00 -0.86 0.00 0.00 30.24 26.50 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 -4.12 0.67 0.59 2.61 0.00 -1.26 -5.05 107.32 100.77 1whf s GLY 11 Ca 0.15 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1whf s GLY 11 CO 0.96 -0.69 0.00 0.70 0.00 0.00 0.00 173.10 174.07 1whf n ASN 12 N 2.07 -8.15 -0.02 1.64 4.13 -1.26 -4.90 115.26 108.76 1whf n ASN 12 Ca -0.18 1.73 -0.15 0.00 1.68 0.00 0.00 54.58 57.67 1whf n ASN 12 Cb 0.55 -4.96 -0.11 0.00 -1.54 0.00 0.00 39.78 33.72 1whf n ASN 12 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1whf h LEU 13 N -0.29 0.26 -0.72 3.41 4.07 -1.97 -3.46 115.31 116.60 1whf h LEU 13 Ca -0.06 -0.76 -0.53 0.00 0.08 0.00 0.00 57.88 56.62 1whf h LEU 13 Cb 1.07 -0.08 -0.30 0.00 1.08 0.00 0.00 40.66 42.43 1whf h LEU 13 CO 0.02 0.98 -0.77 0.54 -1.08 0.00 0.00 178.44 178.13 1whf n ARG 15 N -4.48 -1.50 0.00 1.13 1.74 -1.26 -4.80 116.66 107.48 1whf n ARG 15 Ca -0.10 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1whf n ARG 15 Cb 0.51 -4.78 0.00 0.00 -1.02 0.00 0.00 32.46 27.17 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 -4.57 117.00 119.10 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 -0.81 0.00 -3.00 1.96 0.00 -1.26 -4.86 120.51 112.54 1whf n ALA 21 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1whf n ALA 21 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.79 0.00 2.88 -1.26 -4.98 113.62 107.47 1whf n SER 23 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1whf n SER 23 Cb 0.00 0.32 0.07 0.00 -0.75 0.00 0.00 64.21 63.85 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 -2.11 -0.89 0.00 2.46 7.99 -1.26 -5.16 117.00 118.04 1whf n LEU 24 Ca 0.00 -3.86 0.00 0.00 -0.01 0.00 0.00 56.01 52.14 1whf n LEU 24 Cb 0.00 0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1whf n LEU 24 CO 0.00 1.95 0.00 0.00 -1.51 0.00 0.00 177.39 177.83 1whf n ALA 27 N -0.06 0.00 -0.98 -1.18 0.00 -1.26 -5.13 120.51 111.91 1whf n ALA 27 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1whf n ALA 27 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.19 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 2.40 0.00 0.00 1.74 -1.26 -3.72 116.66 115.83 1whf n ARG 28 Ca 0.00 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 1whf n ARG 28 Cb 0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 1whf n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1whf n VAL 30 N 4.36 0.00 -0.44 1.55 0.31 -1.26 -5.01 118.33 117.84 1whf n VAL 30 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 1whf n VAL 30 Cb 0.20 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1whf n VAL 30 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1whf n PHE 31 N 0.00 0.00 0.00 3.52 1.16 -1.24 -4.99 117.46 115.90 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 -0.40 -1.87 0.00 0.00 176.76 174.49 1whf n ASP 33 N 0.00 0.00 -0.77 5.98 5.75 -1.26 -5.02 116.55 121.23 1whf n ASP 33 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1whf n ASP 33 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1whf n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1whf n ALA 34 N 0.84 2.53 0.00 2.12 0.00 -1.26 -1.11 120.51 123.64 1whf n ALA 34 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 0.25 0.00 -0.31 0.00 6.02 -1.26 -3.69 117.38 118.39 1whf n GLN 36 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 1whf n GLN 36 Cb 0.39 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.61 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 0.03 -0.03 5.09 1.35 -1.51 0.68 112.91 118.51 1whf h THR 37 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1whf h THR 37 Cb 0.00 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.45 1whf h THR 37 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 1whf n ASP 38 N -5.37 1.48 0.00 5.36 2.03 -1.24 -3.28 116.55 115.54 1whf n ASP 38 Ca 0.03 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.30 1whf n ASP 38 Cb 0.33 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.09 0.00 0.01 -0.67 -0.00 0.24 0.06 117.46 117.18 1whf n PHE 40 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.45 1whf n PHE 40 Cb 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.81 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 -0.06 0.00 -5.13 -0.00 -1.60 -3.19 115.95 105.97 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 0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.18 1whf h TRP 41 CO 0.00 -0.04 0.00 0.45 -0.00 0.00 0.00 178.44 178.85 1whf n SER 42 N -3.15 0.00 -1.36 -3.49 2.88 0.11 -0.72 113.62 107.89 1whf n SER 42 Ca -0.01 0.83 -0.02 0.00 -1.33 0.00 0.00 58.87 58.34 1whf n SER 42 Cb 0.03 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.21 1.10 -0.00 -1.46 2.85 -1.26 -4.29 118.16 112.88 1whf n LYS 43 Ca 0.00 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 1whf n LYS 43 Cb 0.00 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 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 0.95 0.00 -1.54 5.58 4.19 0.10 -4.24 117.16 122.21 1whf n TYR 44 Ca 0.04 -0.00 -0.31 0.00 3.31 0.00 0.00 57.90 60.94 1whf n TYR 44 Cb 0.54 -0.03 -0.06 0.00 0.49 0.00 0.00 39.34 40.28 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 -0.35 3.28 0.00 2.98 5.02 -1.26 -3.97 118.16 123.86 1whf n LYS 45 Ca 0.00 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 1whf n LYS 45 Cb 0.07 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 1whf n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1whf n ASP 46 N 1.91 0.61 -0.88 4.39 -0.08 -1.26 -4.99 116.55 116.25 1whf n ASP 46 Ca 0.57 -1.19 -0.08 0.00 -1.51 0.00 0.00 54.79 52.59 1whf n ASP 46 Cb 0.46 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.09 0.12 1.68 0.27 0.00 -1.25 -2.86 105.19 103.04 1whf n GLY 47 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 1whf n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1whf n ASP 48 N 0.51 -1.95 0.00 1.61 8.00 -1.26 -2.90 116.55 120.56 1whf n ASP 48 Ca -0.09 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1whf n ASP 48 Cb 0.55 -2.00 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1whf n GLN 49 N -1.65 0.00 -0.10 -1.24 1.13 -1.14 -3.30 117.38 111.09 1whf n GLN 49 Ca -0.07 0.00 0.26 0.00 -1.94 0.00 0.00 57.00 55.25 1whf n GLN 49 Cb 0.28 0.00 0.59 0.00 0.11 0.00 0.00 30.24 31.22 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 -3.48 0.64 0.00 0.00 2.13 -1.14 -1.37 120.64 117.42 1whf n GLU 51 Ca 0.17 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1whf n GLU 51 Cb 1.14 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 31.12 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 1.68 2.50 2.75 8.31 0.00 -1.26 -4.39 105.19 114.78 1whf n GLY 52 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.01 -0.32 1.61 -0.00 -0.47 -4.91 115.22 107.11 1whf n HIS 53 Ca 0.00 0.73 -0.03 0.00 0.46 0.00 0.00 57.72 58.88 1whf n HIS 53 Cb 0.00 -3.61 0.12 0.00 -0.12 0.00 0.00 29.99 26.38 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 -0.32 1.22 -7.43 1.57 0.11 -1.77 -3.43 132.00 121.96 1whf h PRO 54 Ca -0.26 -0.12 -0.44 0.00 0.11 0.00 0.00 66.00 65.28 1whf h PRO 54 Cb 1.13 -0.25 0.16 0.00 0.11 0.00 0.00 31.00 32.16 1whf h PRO 54 CO 0.28 0.87 0.21 0.00 -0.21 0.00 0.00 178.00 179.15 1whf n LEU 56 N -4.27 0.00 -3.82 0.00 4.77 0.29 -4.86 117.00 109.10 1whf n LEU 56 Ca 0.09 -2.08 -0.36 0.00 -0.03 0.00 0.00 56.01 53.63 1whf n LEU 56 Cb 0.59 1.66 0.03 0.00 -2.33 0.00 0.00 43.42 43.37 1whf n LEU 56 CO 0.53 -0.44 -0.11 0.59 -1.33 0.00 0.00 177.39 176.62 1whf n ASN 57 N -1.84 -4.95 -3.06 -1.43 5.03 -0.83 0.27 115.26 108.44 1whf n ASN 57 Ca 0.02 -1.09 -0.17 0.00 0.87 0.00 0.00 54.58 54.21 1whf n ASN 57 Cb 0.42 -2.65 -0.01 0.00 -1.02 0.00 0.00 39.78 36.52 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 -4.28 -2.75 -2.47 3.52 6.02 -1.26 -4.61 117.38 111.55 1whf n GLN 58 Ca -0.12 0.34 -0.37 0.00 -0.01 0.00 0.00 57.00 56.85 1whf n GLN 58 Cb 0.59 -4.96 -0.03 0.00 1.02 0.00 0.00 30.24 26.85 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 -2.44 2.76 -0.33 1.08 0.00 0.14 -4.44 107.32 104.09 1whf s GLY 59 Ca 0.25 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.45 1whf s GLY 59 CO 0.31 1.21 1.09 -1.58 0.00 0.00 0.00 173.10 174.13 1whf s HIS 60 N -1.60 3.11 -0.06 1.90 2.46 -0.19 -4.73 115.29 116.18 1whf s HIS 60 Ca 0.58 1.15 -0.17 0.00 0.47 0.00 0.00 55.06 57.08 1whf s HIS 60 Cb -0.24 -3.77 -0.05 0.00 -0.13 0.00 0.00 32.58 28.39 1whf s HIS 60 CO 0.30 -0.84 0.47 0.00 -2.47 0.00 0.00 174.74 172.20 1whf s LYS 62 N -0.13 1.90 0.00 0.00 2.20 0.92 -4.96 119.74 119.67 1whf s LYS 62 Ca 0.26 -1.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.18 1whf s LYS 62 Cb -0.16 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 1whf s LYS 62 CO 0.12 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 1whf n GLY 64 N -0.74 4.74 0.40 5.54 0.00 -0.33 0.91 105.19 115.71 1whf n GLY 64 Ca -0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 -1.10 -0.61 1.08 -1.99 -1.09 117.51 113.80 1whf h ILE 65 Ca 0.00 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 64.83 1whf h ILE 65 Cb 0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.61 1whf h ILE 65 CO 0.00 0.00 0.66 1.23 -0.69 0.00 0.00 178.15 179.35 1whf h GLY 66 N -0.73 1.80 0.00 5.37 0.00 -1.99 -3.46 103.07 104.05 1whf h GLY 66 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1whf h GLY 66 CO -0.13 -0.48 0.00 2.09 0.00 0.00 0.00 176.54 178.02 1whf n ASP 67 N -4.94 0.00 -3.68 0.19 5.68 -0.41 -5.10 116.55 108.29 1whf n ASP 67 Ca 0.34 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.52 1whf n ASP 67 Cb 1.15 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 41.02 1whf n ASP 67 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1whf s TYR 68 N -3.28 -0.63 -0.28 2.11 1.13 -1.26 -1.19 117.35 113.96 1whf s TYR 68 Ca 0.00 1.29 -0.15 0.00 -1.41 0.00 0.00 57.07 56.79 1whf s TYR 68 Cb 0.00 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 1whf s TYR 68 CO 0.00 -0.39 0.40 0.95 -2.51 0.00 0.00 175.55 174.00 1whf s THR 69 N 1.99 5.15 0.15 -3.49 -4.23 0.26 -4.83 115.64 110.64 1whf s THR 69 Ca -0.05 0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.98 1whf s THR 69 Cb -0.10 -3.74 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1whf s THR 69 CO -0.12 0.11 0.20 0.00 -0.54 0.00 0.00 174.62 174.27 1whf s THR 71 N -1.42 0.00 -0.25 0.00 2.01 0.12 -4.72 115.64 111.38 1whf s THR 71 Ca 0.11 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 1whf s THR 71 Cb -0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1whf s THR 71 CO 0.08 0.00 0.03 0.00 -0.69 0.00 0.00 174.62 174.04 1whf n ALA 73 N 4.86 -1.70 -2.57 0.00 0.00 -1.26 -4.62 120.51 115.22 1whf n ALA 73 Ca -0.16 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 1whf n ALA 73 Cb 0.50 -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 3.22 0.00 0.00 2.12 -1.26 -2.25 118.70 117.71 1whf s GLU 74 Ca 0.22 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1whf s GLU 74 Cb -0.04 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.19 1whf s GLU 74 CO 0.18 -2.08 0.00 0.41 -0.54 0.00 0.00 175.26 173.23 1whf n GLY 75 N 5.34 1.89 3.58 -1.50 0.00 -1.26 -4.81 105.19 108.43 1whf n GLY 75 Ca 0.03 0.00 -0.23 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 2.55 0.23 1.61 0.40 -0.95 0.17 117.98 119.99 1whf s PHE 76 Ca 0.00 -0.26 -0.22 0.00 -0.60 0.00 0.00 56.93 55.85 1whf s PHE 76 Cb 0.00 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.44 1whf s PHE 76 CO 0.00 0.66 0.71 -1.83 0.70 0.00 0.00 175.22 175.46 1whf s GLU 77 N -3.62 1.59 0.00 0.44 -1.05 -1.24 -4.73 118.70 110.10 1whf s GLU 77 Ca 0.31 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 1whf s GLU 77 Cb -0.06 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1whf s GLU 77 CO 0.18 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 176.08 1whf n GLY 78 N -0.44 2.11 0.19 -3.83 0.00 -1.26 0.77 105.19 102.73 1whf n GLY 78 Ca -0.07 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 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 0.24 -0.52 1.61 1.63 -2.01 -1.66 116.57 115.85 1whf h LYS 79 Ca 0.00 -0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 59.47 1whf h LYS 79 Cb 0.00 -0.05 -0.19 0.00 -0.60 0.00 0.00 32.23 31.39 1whf h LYS 79 CO 0.00 0.16 -0.05 0.09 -3.45 0.00 0.00 179.45 176.20 1whf n ASN 80 N -5.09 3.45 -3.40 4.20 3.02 -1.26 -4.93 115.26 111.26 1whf n ASN 80 Ca 0.04 -3.78 -0.14 0.00 -0.03 0.00 0.00 54.58 50.68 1whf n ASN 80 Cb 0.21 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.51 0.92 -3.14 0.00 2.13 0.23 -1.97 120.64 116.30 1whf n GLU 82 Ca -0.12 -0.08 -0.44 0.00 0.66 0.00 0.00 57.16 57.18 1whf n GLU 82 Cb 0.58 -1.43 0.01 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 -2.38 3.71 -1.51 4.31 3.72 -0.55 -4.86 117.46 119.90 1whf n PHE 83 Ca -0.16 -3.21 -0.30 0.00 -0.05 0.00 0.00 57.45 53.73 1whf n PHE 83 Cb 0.77 -1.50 -0.16 0.00 -0.94 0.00 0.00 39.48 37.64 1whf n PHE 83 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1whf n SER 84 N 2.09 -0.11 0.05 4.37 3.41 -1.26 -3.63 113.62 118.53 1whf n SER 84 Ca 0.26 -0.34 0.08 0.00 -0.26 0.00 0.00 58.87 58.61 1whf n SER 84 Cb 0.36 -0.89 0.35 0.00 -0.26 0.00 0.00 64.21 63.77 1whf n SER 84 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1whf n THR 85 N 6.85 1.05 -0.01 6.66 -2.24 0.46 -4.94 114.28 122.11 1whf n THR 85 Ca 0.62 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.70 1whf n THR 85 Cb 0.16 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1whf n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04