#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtf s LYS 2 N 0.00 2.11 0.09 0.54 -0.14 -1.26 -4.39 119.74 116.69 1wtf s LYS 2 Ca 0.00 -0.98 0.07 0.00 -1.36 0.00 0.00 55.97 53.70 1wtf s LYS 2 Cb 0.00 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 33.88 1wtf s LYS 2 CO 0.00 0.54 -0.18 0.71 -0.76 0.00 0.00 175.35 175.66 1wtf s TYR 3 N -1.00 1.53 0.05 3.18 1.51 -0.21 -0.41 117.35 122.01 1wtf s TYR 3 Ca 0.16 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1wtf s TYR 3 Cb -0.11 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1wtf s TYR 3 CO 0.07 0.15 0.00 -0.08 -1.11 0.00 0.00 175.55 174.58 1wtf s THR 4 N -1.32 0.19 0.01 -0.71 -1.32 -1.26 -1.37 115.64 109.87 1wtf s THR 4 Ca 0.04 -1.57 -0.28 0.00 -1.21 0.00 0.00 61.69 58.67 1wtf s THR 4 Cb -0.09 -1.28 0.09 0.00 -1.51 0.00 0.00 72.50 69.70 1wtf s THR 4 CO 0.03 -0.87 0.77 -0.51 -2.21 0.00 0.00 174.62 171.84 1wtf s ILE 5 N -3.48 0.00 -0.14 5.08 2.07 -1.07 -3.89 121.20 119.76 1wtf s ILE 5 Ca 0.03 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1wtf s ILE 5 Cb 0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 1wtf s ILE 5 CO -0.08 0.00 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.23 1wtf s VAL 6 N -2.61 4.05 -0.64 4.00 1.01 -1.26 -1.37 120.40 123.58 1wtf s VAL 6 Ca -0.01 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1wtf s VAL 6 Cb -0.01 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1wtf s VAL 6 CO -0.05 0.51 1.10 -0.62 0.00 0.00 0.00 175.10 176.04 1wtf s ASP 7 N 0.12 6.26 0.54 3.32 -1.08 -0.20 -4.86 116.67 120.77 1wtf s ASP 7 Ca 0.00 -0.47 0.36 0.00 -0.52 0.00 0.00 52.55 51.92 1wtf s ASP 7 Cb -0.13 -2.49 1.70 0.00 -1.46 0.00 0.00 42.92 40.54 1wtf s ASP 7 CO 0.02 -1.52 2.07 0.11 0.52 0.00 0.00 175.17 176.38 1wtf h LYS 8 N 9.64 0.00 0.00 4.34 1.57 -1.89 -2.26 116.57 127.97 1wtf h LYS 8 Ca -0.27 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.33 1wtf h LYS 8 Cb 1.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1wtf h LYS 8 CO 1.19 0.00 -0.84 0.93 -0.57 0.00 0.00 179.45 180.15 1wtf h GLU 9 N 0.00 0.00 -0.00 3.15 5.08 -1.99 -3.27 114.58 117.54 1wtf h GLU 9 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wtf h GLU 9 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1wtf h GLU 9 CO 0.00 0.84 -0.73 0.25 -1.00 0.00 0.00 179.01 178.37 1wtf n THR 10 N -3.49 0.00 -2.26 1.13 -2.24 -0.95 -4.93 114.28 101.54 1wtf n THR 10 Ca -0.00 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1wtf n THR 10 Cb 0.82 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 1wtf n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wtf n ILE 12 N 4.14 2.37 -3.63 0.00 -5.35 -1.26 -4.98 119.36 110.65 1wtf n ILE 12 Ca 0.11 -3.82 -0.23 0.00 -0.27 0.00 0.00 62.75 58.55 1wtf n ILE 12 Cb 0.44 -0.76 0.07 0.00 -1.74 0.00 0.00 39.64 37.65 1wtf n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wtf n ALA 13 N -0.85 -1.61 0.10 -1.28 0.00 -1.26 -4.90 120.51 110.71 1wtf n ALA 13 Ca 0.34 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.93 1wtf n ALA 13 Cb 0.87 -3.95 0.29 0.00 0.00 0.00 0.00 19.45 16.65 1wtf n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wtf n GLY 15 N -0.49 0.47 0.09 0.00 0.00 -1.26 -4.91 105.19 99.09 1wtf n GLY 15 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1wtf n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtf h ALA 16 N 0.00 0.27 -0.36 4.61 0.00 -1.91 -3.36 119.26 118.51 1wtf h ALA 16 Ca -0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 1wtf h ALA 16 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wtf h ALA 16 CO 0.01 1.07 -0.03 0.00 0.00 0.00 0.00 179.25 180.30 1wtf h GLY 18 N 0.47 0.04 1.31 0.00 0.00 -1.76 -0.76 103.07 102.38 1wtf h GLY 18 Ca 0.10 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.15 1wtf h GLY 18 CO 0.02 0.03 -0.97 0.00 0.00 0.00 0.00 176.54 175.62 1wtf h ALA 19 N 1.62 0.23 0.00 3.60 0.00 -1.68 -2.59 119.26 120.45 1wtf h ALA 19 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 1wtf h ALA 19 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1wtf h ALA 19 CO 0.05 0.72 -0.71 0.00 0.00 0.00 0.00 179.25 179.31 1wtf h ALA 20 N 0.53 0.72 -1.24 0.00 0.00 -1.18 -3.39 119.26 114.70 1wtf h ALA 20 Ca -0.10 -0.64 -0.43 0.00 0.00 0.00 0.00 54.91 53.74 1wtf h ALA 20 Cb 1.62 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 19.00 1wtf h ALA 20 CO 0.19 0.88 -0.87 0.00 0.00 0.00 0.00 179.25 179.45 1wtf n ALA 21 N -2.36 0.94 0.31 0.00 0.00 -0.31 -4.72 120.51 114.38 1wtf n ALA 21 Ca -0.00 -2.62 0.18 0.00 0.00 0.00 0.00 53.44 51.00 1wtf n ALA 21 Cb 0.73 -1.02 1.02 0.00 0.00 0.00 0.00 19.45 20.18 1wtf n ALA 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wtf h PRO 22 N 4.04 0.00 -0.01 0.00 0.13 -1.66 0.00 132.00 134.51 1wtf h PRO 22 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1wtf h PRO 22 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wtf h PRO 22 CO 0.40 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 1wtf n ASP 23 N -3.45 0.52 0.00 1.44 8.00 -1.26 -4.25 116.55 117.55 1wtf n ASP 23 Ca -0.03 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1wtf n ASP 23 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1wtf n ASP 23 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1wtf n ILE 24 N -0.59 0.00 -4.93 0.53 5.41 -0.12 -4.75 119.36 114.91 1wtf n ILE 24 Ca 0.22 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.65 1wtf n ILE 24 Cb 0.20 -1.04 -0.14 0.00 -0.71 0.00 0.00 39.64 37.95 1wtf n ILE 24 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1wtf s TYR 25 N -2.00 2.69 0.26 1.39 1.51 -0.55 -0.35 117.35 120.29 1wtf s TYR 25 Ca 0.00 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 1wtf s TYR 25 Cb 0.00 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1wtf s TYR 25 CO 0.00 -0.03 0.19 -3.47 -1.11 0.00 0.00 175.55 171.12 1wtf n ASP 26 N 2.86 -0.12 -4.34 2.29 -0.08 -0.65 -4.35 116.55 112.17 1wtf n ASP 26 Ca -0.18 -2.64 -0.31 0.00 -1.51 0.00 0.00 54.79 50.16 1wtf n ASP 26 Cb 0.52 1.14 -0.15 0.00 2.34 0.00 0.00 41.12 44.97 1wtf n ASP 26 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1wtf s TYR 27 N -2.94 2.35 0.42 -0.67 1.51 -1.26 -1.01 117.35 115.75 1wtf s TYR 27 Ca 0.26 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.86 1wtf s TYR 27 Cb 0.01 -1.46 0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1wtf s TYR 27 CO 0.19 0.06 0.57 -0.40 -1.11 0.00 0.00 175.55 174.86 1wtf n ASP 28 N 2.10 0.19 0.24 2.29 5.68 0.25 -4.84 116.55 122.45 1wtf n ASP 28 Ca -0.16 -1.29 0.16 0.00 -0.50 0.00 0.00 54.79 52.99 1wtf n ASP 28 Cb 0.51 -0.43 0.79 0.00 -1.14 0.00 0.00 41.12 40.86 1wtf n ASP 28 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1wtf h GLU 29 N 0.00 0.00 -0.68 0.11 9.09 -2.01 -0.63 114.58 120.46 1wtf h GLU 29 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 1wtf h GLU 29 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1wtf h GLU 29 CO 0.15 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.96 1wtf n ASP 30 N -2.70 3.82 0.00 3.06 8.00 -1.26 -4.94 116.55 122.53 1wtf n ASP 30 Ca -0.01 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1wtf n ASP 30 Cb 0.15 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1wtf n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtf n GLY 31 N 1.63 0.50 3.79 0.44 0.00 -0.24 -5.03 105.19 106.28 1wtf n GLY 31 Ca 0.24 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1wtf n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wtf s ILE 32 N -2.00 5.10 0.66 -0.61 -1.09 -1.26 -4.50 121.20 117.51 1wtf s ILE 32 Ca 0.00 0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 59.12 1wtf s ILE 32 Cb 0.00 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1wtf s ILE 32 CO 0.00 0.49 1.09 0.00 -1.23 0.00 0.00 174.94 175.29 1wtf s ALA 33 N -0.43 2.53 0.12 9.38 0.00 -1.26 -0.58 121.76 131.52 1wtf s ALA 33 Ca 0.23 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 1wtf s ALA 33 Cb -0.16 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1wtf s ALA 33 CO 0.11 -1.23 0.58 1.52 0.00 0.00 0.00 175.76 176.75 1wtf s TYR 34 N -2.52 -0.51 -0.24 0.00 1.13 -0.18 -4.78 117.35 110.26 1wtf s TYR 34 Ca 0.64 0.40 -0.20 0.00 -1.41 0.00 0.00 57.07 56.50 1wtf s TYR 34 Cb -0.18 0.48 -0.02 0.00 -1.10 0.00 0.00 41.96 41.14 1wtf s TYR 34 CO 0.44 -0.78 0.63 0.08 -2.51 0.00 0.00 175.55 173.41 1wtf s VAL 35 N -3.29 5.00 -1.03 -3.49 1.01 -1.26 -1.63 120.40 115.71 1wtf s VAL 35 Ca -0.01 1.15 0.26 0.00 0.00 0.00 0.00 61.98 63.39 1wtf s VAL 35 Cb -0.01 -3.94 0.24 0.00 0.00 0.00 0.00 36.38 32.67 1wtf s VAL 35 CO -0.09 0.05 1.85 0.35 0.00 0.00 0.00 175.10 177.27 1wtf n THR 36 N 5.02 0.17 0.18 3.92 -2.24 0.52 -1.06 114.28 120.80 1wtf n THR 36 Ca -0.01 0.04 0.04 0.00 -2.27 0.00 0.00 64.05 61.86 1wtf n THR 36 Cb 0.49 -0.59 0.35 0.00 -2.10 0.00 0.00 70.33 68.48 1wtf n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wtf h LEU 37 N 0.00 0.00 -2.94 3.22 3.38 -1.86 -3.38 115.31 113.74 1wtf h LEU 37 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1wtf h LEU 37 Cb 0.44 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.01 1wtf h LEU 37 CO 0.00 0.40 -0.41 -0.90 0.09 0.00 0.00 178.44 177.62 1wtf n ASP 38 N -3.79 -0.76 -3.84 -0.43 3.85 -1.24 -4.87 116.55 105.47 1wtf n ASP 38 Ca -0.01 -2.05 -0.27 0.00 -0.71 0.00 0.00 54.79 51.75 1wtf n ASP 38 Cb 0.47 0.28 0.03 0.00 -1.35 0.00 0.00 41.12 40.55 1wtf n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1wtf n ASP 39 N -0.31 -3.31 -2.84 -1.12 4.64 -1.06 -2.39 116.55 110.16 1wtf n ASP 39 Ca -0.20 -0.80 -0.20 0.00 -1.38 0.00 0.00 54.79 52.20 1wtf n ASP 39 Cb 0.80 -3.91 0.01 0.00 -1.04 0.00 0.00 41.12 36.97 1wtf n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1wtf n ASN 40 N -2.92 -5.05 -0.51 1.67 5.15 -0.23 -4.88 115.26 108.49 1wtf n ASN 40 Ca -0.10 -0.14 0.10 0.00 -0.60 0.00 0.00 54.58 53.84 1wtf n ASN 40 Cb 0.59 -4.16 0.01 0.00 -0.53 0.00 0.00 39.78 35.68 1wtf n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wtf n GLN 41 N -3.48 1.50 -3.51 1.20 1.13 -1.00 -4.75 117.38 108.46 1wtf n GLN 41 Ca -0.13 -1.07 -0.20 0.00 -1.94 0.00 0.00 57.00 53.67 1wtf n GLN 41 Cb 0.62 -1.40 0.08 0.00 0.11 0.00 0.00 30.24 29.65 1wtf n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wtf n GLY 42 N 1.29 -0.42 0.00 1.08 0.00 -1.25 -0.27 105.19 105.62 1wtf n GLY 42 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1wtf n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wtf n ILE 43 N -4.43 0.00 -3.25 -0.61 -5.35 -1.26 -0.49 119.36 103.98 1wtf n ILE 43 Ca -0.19 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 61.91 1wtf n ILE 43 Cb 0.63 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 1wtf n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1wtf s VAL 44 N -1.49 5.05 0.23 7.28 1.01 -1.26 -4.93 120.40 126.29 1wtf s VAL 44 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 1wtf s VAL 44 Cb 0.00 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1wtf s VAL 44 CO 0.00 0.37 1.48 -1.61 0.00 0.00 0.00 175.10 175.34 1wtf s GLU 45 N 0.23 4.25 0.05 2.72 2.02 -1.26 -4.65 118.70 122.04 1wtf s GLU 45 Ca 0.29 2.33 -0.31 0.00 0.02 0.00 0.00 54.97 57.31 1wtf s GLU 45 Cb -0.17 -3.12 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 1wtf s GLU 45 CO 0.14 -0.48 1.43 0.08 0.02 0.00 0.00 175.26 176.45 1wtf s VAL 46 N 0.28 3.50 0.34 2.63 1.01 0.45 -4.94 120.40 123.67 1wtf s VAL 46 Ca 0.62 0.97 -0.27 0.00 0.00 0.00 0.00 61.98 63.30 1wtf s VAL 46 Cb -0.43 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 1wtf s VAL 46 CO 0.41 0.02 1.06 -2.65 0.00 0.00 0.00 175.10 173.93 1wtf n PRO 47 N 4.94 1.49 -0.36 2.72 -0.02 -1.26 -4.68 135.00 137.83 1wtf n PRO 47 Ca 0.13 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1wtf n PRO 47 Cb 0.43 -1.98 0.27 0.00 -0.02 0.00 0.00 33.50 32.19 1wtf n PRO 47 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wtf h ASP 48 N 1.96 0.88 0.29 2.55 3.45 -2.01 -0.08 116.42 123.47 1wtf h ASP 48 Ca -0.42 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.11 1wtf h ASP 48 Cb 1.33 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1wtf h ASP 48 CO 0.60 0.42 0.00 2.30 -1.57 0.00 0.00 179.24 180.98 1wtf n ILE 49 N -4.67 1.19 0.47 0.35 -5.35 -1.26 -2.48 119.36 107.61 1wtf n ILE 49 Ca 0.21 0.46 0.06 0.00 -0.27 0.00 0.00 62.75 63.20 1wtf n ILE 49 Cb 0.43 -1.39 0.05 0.00 -1.74 0.00 0.00 39.64 36.99 1wtf n ILE 49 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1wtf n LEU 50 N -1.95 1.96 -0.15 7.28 4.77 -0.05 -4.67 117.00 124.19 1wtf n LEU 50 Ca 0.01 -1.01 -0.06 0.00 -0.03 0.00 0.00 56.01 54.92 1wtf n LEU 50 Cb 0.10 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1wtf n LEU 50 CO 0.11 0.37 1.03 0.40 -1.33 0.00 0.00 177.39 177.97 1wtf h ILE 51 N 2.24 1.02 -0.53 -0.08 1.08 -1.39 -0.03 117.51 119.82 1wtf h ILE 51 Ca 0.00 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1wtf h ILE 51 Cb 0.48 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1wtf h ILE 51 CO 0.00 0.10 0.32 0.44 -0.69 0.00 0.00 178.15 178.31 1wtf h ASP 52 N 0.53 0.64 -0.64 1.72 3.32 -1.83 -0.40 116.42 119.75 1wtf h ASP 52 Ca 0.20 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1wtf h ASP 52 Cb 0.05 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1wtf h ASP 52 CO -0.11 0.51 0.25 0.44 -1.72 0.00 0.00 179.24 178.61 1wtf h ASP 53 N 0.71 0.90 -0.64 6.45 3.45 -1.77 -1.25 116.42 124.27 1wtf h ASP 53 Ca 0.19 -0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.53 1wtf h ASP 53 Cb -0.01 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.48 1wtf h ASP 53 CO -0.04 0.83 0.35 -0.03 -1.57 0.00 0.00 179.24 178.78 1wtf h MET 54 N 0.91 0.63 -0.66 3.56 4.05 -0.52 -0.60 114.93 122.30 1wtf h MET 54 Ca 0.21 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.54 1wtf h MET 54 Cb 0.22 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1wtf h MET 54 CO -0.02 0.42 0.21 0.52 0.23 0.00 0.00 176.91 178.27 1wtf h MET 55 N 0.65 1.01 -0.54 0.39 2.86 -0.71 0.20 114.93 118.79 1wtf h MET 55 Ca 0.28 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1wtf h MET 55 Cb 0.17 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1wtf h MET 55 CO -0.18 0.86 0.32 -0.44 1.06 0.00 0.00 176.91 178.54 1wtf h ASP 56 N 0.97 0.65 -0.44 1.22 3.45 -0.48 0.93 116.42 122.72 1wtf h ASP 56 Ca 0.22 -0.06 -0.11 0.00 0.43 0.00 0.00 57.03 57.51 1wtf h ASP 56 Cb 0.27 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1wtf h ASP 56 CO -0.01 0.51 -0.16 0.00 -1.57 0.00 0.00 179.24 178.01 1wtf h ALA 57 N 1.16 0.61 -0.80 3.45 0.00 -0.59 -0.53 119.26 122.56 1wtf h ALA 57 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wtf h ALA 57 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1wtf h ALA 57 CO -0.04 0.55 0.53 0.35 0.00 0.00 0.00 179.25 180.64 1wtf h PHE 58 N 0.71 1.00 0.00 0.00 3.57 -0.35 -1.86 116.94 120.03 1wtf h PHE 58 Ca 0.10 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.42 1wtf h PHE 58 Cb 0.72 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1wtf h PHE 58 CO 0.05 0.63 -0.91 0.93 -2.23 0.00 0.00 178.31 176.78 1wtf h GLU 59 N 1.08 0.30 0.00 1.11 5.08 -0.69 -3.32 114.58 118.13 1wtf h GLU 59 Ca 0.29 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1wtf h GLU 59 Cb -0.12 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1wtf h GLU 59 CO -0.07 1.03 -0.43 0.78 -1.00 0.00 0.00 179.01 179.32 1wtf h GLY 60 N 1.54 0.00 -5.78 -3.84 0.00 -0.75 -3.45 103.07 90.79 1wtf h GLY 60 Ca -0.06 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.72 1wtf h GLY 60 CO 0.15 0.00 1.28 0.00 0.00 0.00 0.00 176.54 177.97 1wtf h PRO 62 N 11.62 0.00 -0.15 0.00 0.11 -1.92 -2.73 132.00 138.92 1wtf h PRO 62 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wtf h PRO 62 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wtf h PRO 62 CO 0.95 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 179.08 1wtf n THR 63 N -3.61 0.17 -3.07 -1.15 -2.24 -1.26 -4.95 114.28 98.16 1wtf n THR 63 Ca -0.02 -0.58 -0.22 0.00 -2.27 0.00 0.00 64.05 60.96 1wtf n THR 63 Cb 0.21 1.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1wtf n THR 63 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wtf n ASP 64 N 1.40 -5.26 0.18 3.42 9.92 -1.03 -4.87 116.55 120.30 1wtf n ASP 64 Ca 0.16 -0.28 0.12 0.00 -0.53 0.00 0.00 54.79 54.26 1wtf n ASP 64 Cb 0.60 -4.29 0.19 0.00 -0.64 0.00 0.00 41.12 36.99 1wtf n ASP 64 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1wtf h SER 65 N -1.12 0.00 -3.35 -2.24 0.02 -1.89 -3.43 113.55 101.53 1wtf h SER 65 Ca -0.49 -0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 59.89 1wtf h SER 65 Cb 1.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.83 1wtf h SER 65 CO 0.55 0.00 0.30 -0.63 -1.14 0.00 0.00 176.83 175.91 1wtf s ILE 66 N -3.21 4.92 0.11 3.27 -1.09 -1.26 -1.03 121.20 122.91 1wtf s ILE 66 Ca 0.07 1.72 0.08 0.00 -2.23 0.00 0.00 60.65 60.29 1wtf s ILE 66 Cb 0.07 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1wtf s ILE 66 CO 0.67 0.13 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.85 1wtf s LYS 67 N 1.39 2.00 -0.03 2.79 -0.14 -0.47 -4.91 119.74 120.37 1wtf s LYS 67 Ca 0.43 -1.08 0.01 0.00 -1.36 0.00 0.00 55.97 53.96 1wtf s LYS 67 Cb -0.18 -2.24 0.02 0.00 -1.68 0.00 0.00 37.83 33.75 1wtf s LYS 67 CO 0.19 0.50 -0.02 0.08 -0.76 0.00 0.00 175.35 175.34 1wtf s VAL 68 N -1.19 0.32 0.22 3.17 1.01 -1.26 -2.60 120.40 120.07 1wtf s VAL 68 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1wtf s VAL 68 Cb -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1wtf s VAL 68 CO 0.12 0.17 0.24 0.00 0.00 0.00 0.00 175.10 175.63 1wtf s ALA 69 N 0.88 0.80 -2.83 5.51 0.00 -0.47 -4.98 121.76 120.68 1wtf s ALA 69 Ca -0.10 -1.48 0.24 0.00 0.00 0.00 0.00 51.96 50.61 1wtf s ALA 69 Cb -0.13 1.30 0.26 0.00 0.00 0.00 0.00 23.12 24.55 1wtf s ALA 69 CO -0.01 -0.67 1.29 -0.25 0.00 0.00 0.00 175.76 176.13 1wtf n ASP 70 N -0.36 3.12 -4.04 0.00 9.92 -1.26 -1.04 116.55 122.90 1wtf n ASP 70 Ca 0.01 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.79 52.19 1wtf n ASP 70 Cb 0.65 -0.07 -0.11 0.00 -0.64 0.00 0.00 41.12 40.95 1wtf n ASP 70 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1wtf s GLU 71 N -1.84 0.47 0.59 -1.24 2.02 -1.26 -4.56 118.70 112.88 1wtf s GLU 71 Ca 0.31 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 54.24 1wtf s GLU 71 Cb 0.21 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.46 1wtf s GLU 71 CO 0.30 -0.05 1.28 -2.30 0.02 0.00 0.00 175.26 174.52 1wtf n PRO 72 N 1.03 1.36 0.11 0.39 -0.02 -1.26 -4.77 135.00 131.84 1wtf n PRO 72 Ca -0.20 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1wtf n PRO 72 Cb 0.57 -2.51 0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1wtf n PRO 72 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1wtf h PHE 73 N 0.96 0.00 -6.53 6.00 -1.00 -0.97 -3.48 116.94 111.91 1wtf h PHE 73 Ca -0.51 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 59.76 1wtf h PHE 73 Cb 1.33 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.79 1wtf h PHE 73 CO 0.43 0.00 -0.85 -0.25 -1.61 0.00 0.00 178.31 176.03 1wtf n ASP 74 N -2.57 -1.93 0.00 2.17 8.00 -1.15 -1.60 116.55 119.47 1wtf n ASP 74 Ca 0.02 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1wtf n ASP 74 Cb 0.51 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 1wtf n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtf n GLY 75 N -1.74 2.39 3.40 0.44 0.00 0.62 -5.01 105.19 105.30 1wtf n GLY 75 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1wtf n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wtf s ASP 76 N -2.37 6.11 0.25 1.61 3.68 -0.63 -4.93 116.67 120.38 1wtf s ASP 76 Ca 0.00 -1.24 0.21 0.00 2.13 0.00 0.00 52.55 53.65 1wtf s ASP 76 Cb 0.00 -2.17 0.97 0.00 -1.45 0.00 0.00 42.92 40.27 1wtf s ASP 76 CO 0.00 -0.59 1.63 -0.81 0.13 0.00 0.00 175.17 175.53 1wtf n PRO 77 N 5.18 0.15 -0.43 4.34 -0.04 -1.26 -2.17 135.00 140.76 1wtf n PRO 77 Ca -0.12 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 1wtf n PRO 77 Cb 0.44 -1.86 0.25 0.00 -0.04 0.00 0.00 33.50 32.30 1wtf n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wtf n ASN 78 N -2.15 3.88 -0.34 3.54 3.02 -1.26 -4.63 115.26 117.32 1wtf n ASN 78 Ca 0.01 -2.74 0.08 0.00 -0.03 0.00 0.00 54.58 51.90 1wtf n ASN 78 Cb 0.14 -0.49 0.28 0.00 -0.61 0.00 0.00 39.78 39.09 1wtf n ASN 78 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1wtf h LYS 79 N 2.18 0.89 -0.64 3.52 3.64 -1.77 -1.49 116.57 122.91 1wtf h LYS 79 Ca 0.00 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1wtf h LYS 79 Cb 1.33 -0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.85 1wtf h LYS 79 CO 0.20 0.59 0.18 1.19 -2.27 0.00 0.00 179.45 179.34 1wtf n PHE 80 N -4.61 2.16 0.82 1.91 3.01 -1.26 -5.17 117.46 114.31 1wtf n PHE 80 Ca 0.19 -1.12 0.10 0.00 1.01 0.00 0.00 57.45 57.62 1wtf n PHE 80 Cb 0.38 -0.61 0.08 0.00 -0.01 0.00 0.00 39.48 39.33 1wtf n PHE 80 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16