#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 0.87 0.12 0.54 -0.14 -1.26 -4.38 119.74 115.48 1wtf s LYS 2 Ca 0.00 -0.93 0.06 0.00 -1.36 0.00 0.00 55.97 53.75 1wtf s LYS 2 Cb 0.00 -0.89 -0.04 0.00 -1.68 0.00 0.00 37.83 35.22 1wtf s LYS 2 CO 0.00 0.20 -0.16 0.71 -0.76 0.00 0.00 175.35 175.35 1wtf s TYR 3 N -1.17 1.49 0.05 3.18 1.51 0.70 -0.65 117.35 122.45 1wtf s TYR 3 Ca -0.01 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 1wtf s TYR 3 Cb -0.10 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1wtf s TYR 3 CO 0.02 0.17 0.10 -0.08 -1.11 0.00 0.00 175.55 174.65 1wtf s THR 4 N -1.86 0.14 0.10 -0.71 -1.32 -1.26 -1.34 115.64 109.40 1wtf s THR 4 Ca 0.08 -1.17 -0.25 0.00 -1.21 0.00 0.00 61.69 59.13 1wtf s THR 4 Cb -0.06 -1.02 0.07 0.00 -1.51 0.00 0.00 72.50 69.98 1wtf s THR 4 CO 0.04 -0.65 0.64 -0.51 -2.21 0.00 0.00 174.62 171.92 1wtf s ILE 5 N -2.91 0.00 -0.15 5.08 2.07 -1.05 -3.99 121.20 120.25 1wtf s ILE 5 Ca -0.02 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1wtf s ILE 5 Cb 0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1wtf s ILE 5 CO -0.06 0.00 0.03 -0.69 -1.91 0.00 0.00 174.94 172.31 1wtf s VAL 6 N -3.17 4.50 -0.63 4.00 1.01 -1.26 -0.94 120.40 123.91 1wtf s VAL 6 Ca -0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1wtf s VAL 6 Cb -0.01 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.43 1wtf s VAL 6 CO -0.08 0.51 1.12 -0.62 0.00 0.00 0.00 175.10 176.03 1wtf s ASP 7 N -0.01 6.30 0.53 3.32 -1.08 0.26 -4.83 116.67 121.15 1wtf s ASP 7 Ca 0.04 -0.33 0.30 0.00 -0.52 0.00 0.00 52.55 52.04 1wtf s ASP 7 Cb -0.13 -2.51 1.43 0.00 -1.46 0.00 0.00 42.92 40.25 1wtf s ASP 7 CO 0.02 -1.51 2.03 0.11 0.52 0.00 0.00 175.17 176.34 1wtf h LYS 8 N 9.63 0.00 0.00 4.34 1.79 -1.88 -2.38 116.57 128.07 1wtf h LYS 8 Ca -0.27 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.08 1wtf h LYS 8 Cb 1.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 1wtf h LYS 8 CO 1.19 0.11 -0.59 0.93 -1.08 0.00 0.00 179.45 180.01 1wtf h GLU 9 N 0.00 0.00 -0.01 3.15 5.08 -1.99 -3.24 114.58 117.58 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 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wtf h GLU 9 CO 0.01 0.59 -0.67 0.25 -1.00 0.00 0.00 179.01 178.19 1wtf n THR 10 N -3.84 0.00 -2.20 1.13 -2.24 -0.96 -4.94 114.28 101.24 1wtf n THR 10 Ca -0.01 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1wtf n THR 10 Cb 0.59 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 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 3.61 2.27 -3.39 0.00 -5.35 -1.26 -4.98 119.36 110.25 1wtf n ILE 12 Ca 0.10 -3.40 -0.24 0.00 -0.27 0.00 0.00 62.75 58.94 1wtf n ILE 12 Cb 0.43 -0.38 0.06 0.00 -1.74 0.00 0.00 39.64 38.00 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 -1.06 -1.17 -0.29 -1.28 0.00 -1.26 -4.91 120.51 110.54 1wtf n ALA 13 Ca 0.23 0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.98 1wtf n ALA 13 Cb 0.74 -4.75 0.08 0.00 0.00 0.00 0.00 19.45 15.53 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 -1.32 0.70 0.21 0.00 0.00 -1.26 -4.97 105.19 98.55 1wtf n GLY 15 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.73 -0.22 4.61 0.00 -1.91 -3.11 119.26 119.36 1wtf h ALA 16 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1wtf h ALA 16 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wtf h ALA 16 CO 0.00 0.68 0.11 0.00 0.00 0.00 0.00 179.25 180.05 1wtf h GLY 18 N 0.24 0.00 1.35 0.00 0.00 -1.77 0.10 103.07 102.99 1wtf h GLY 18 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 1wtf h GLY 18 CO -0.01 0.00 -1.11 0.00 0.00 0.00 0.00 176.54 175.42 1wtf h ALA 19 N 1.64 0.14 -0.03 3.60 0.00 -1.42 -2.65 119.26 120.54 1wtf h ALA 19 Ca -0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 54.91 53.95 1wtf h ALA 19 Cb 0.77 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wtf h ALA 19 CO 0.05 0.75 -0.86 0.00 0.00 0.00 0.00 179.25 179.18 1wtf h ALA 20 N 0.47 0.45 -1.78 0.00 0.00 -0.98 -3.40 119.26 114.03 1wtf h ALA 20 Ca -0.14 -0.67 -0.51 0.00 0.00 0.00 0.00 54.91 53.58 1wtf h ALA 20 Cb 1.78 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 19.18 1wtf h ALA 20 CO 0.21 0.80 -1.00 0.00 0.00 0.00 0.00 179.25 179.26 1wtf n ALA 21 N -2.52 1.91 0.30 0.00 0.00 0.33 -4.76 120.51 115.77 1wtf n ALA 21 Ca -0.06 -3.06 0.17 0.00 0.00 0.00 0.00 53.44 50.50 1wtf n ALA 21 Cb 0.79 -0.88 0.97 0.00 0.00 0.00 0.00 19.45 20.33 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 4.23 0.00 -0.10 0.00 0.13 -1.66 -0.98 132.00 133.62 1wtf h PRO 22 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1wtf h PRO 22 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wtf h PRO 22 CO 0.42 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 177.96 1wtf n ASP 23 N -3.53 1.08 0.00 1.44 8.00 -1.26 -4.20 116.55 118.08 1wtf n ASP 23 Ca -0.03 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.87 1wtf n ASP 23 Cb 0.12 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.07 0.00 -5.05 0.53 5.41 -0.49 -4.76 119.36 114.93 1wtf n ILE 24 Ca 0.15 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.58 1wtf n ILE 24 Cb 0.24 -0.85 -0.14 0.00 -0.71 0.00 0.00 39.64 38.17 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 -1.92 2.57 0.25 1.39 1.51 -0.50 -0.72 117.35 119.92 1wtf s TYR 25 Ca 0.00 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1wtf s TYR 25 Cb 0.00 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1wtf s TYR 25 CO 0.00 0.02 0.21 -3.47 -1.11 0.00 0.00 175.55 171.21 1wtf n ASP 26 N 2.56 -0.54 -4.26 2.29 4.64 -0.57 -4.42 116.55 116.25 1wtf n ASP 26 Ca -0.17 -2.65 -0.30 0.00 -1.38 0.00 0.00 54.79 50.29 1wtf n ASP 26 Cb 0.52 1.26 -0.16 0.00 -1.04 0.00 0.00 41.12 41.70 1wtf n ASP 26 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1wtf s TYR 27 N -3.02 2.25 0.68 -0.67 1.51 -1.26 -0.86 117.35 115.98 1wtf s TYR 27 Ca 0.30 -0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 55.68 1wtf s TYR 27 Cb 0.01 -1.47 0.16 0.00 -0.11 0.00 0.00 41.96 40.55 1wtf s TYR 27 CO 0.21 -0.14 0.86 -0.40 -1.11 0.00 0.00 175.55 174.98 1wtf n ASP 28 N 2.77 -0.22 0.26 2.29 5.68 -0.04 -4.83 116.55 122.46 1wtf n ASP 28 Ca -0.17 -1.26 0.17 0.00 -0.50 0.00 0.00 54.79 53.04 1wtf n ASP 28 Cb 0.52 -0.68 0.88 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.62 0.11 4.11 -2.01 -0.32 114.58 115.85 1wtf h GLU 29 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1wtf h GLU 29 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1wtf h GLU 29 CO 0.20 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.03 1wtf n ASP 30 N -2.75 3.82 0.00 3.06 8.00 -1.26 -4.93 116.55 122.49 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 0.11 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 0.71 3.79 0.44 0.00 -0.13 -5.03 105.19 106.61 1wtf n GLY 31 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.70 4.88 0.68 -0.61 -1.09 -1.26 -4.53 121.20 116.58 1wtf s ILE 32 Ca 0.00 1.13 -0.13 0.00 -2.23 0.00 0.00 60.65 59.42 1wtf s ILE 32 Cb 0.00 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1wtf s ILE 32 CO 0.00 0.50 1.09 0.00 -1.23 0.00 0.00 174.94 175.30 1wtf s ALA 33 N -0.69 2.49 0.15 9.38 0.00 -1.26 -0.86 121.76 130.98 1wtf s ALA 33 Ca 0.28 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 1wtf s ALA 33 Cb -0.18 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.74 1wtf s ALA 33 CO 0.17 -1.31 0.59 1.52 0.00 0.00 0.00 175.76 176.73 1wtf s TYR 34 N -2.62 -0.53 -0.27 0.00 1.13 -0.04 -4.80 117.35 110.23 1wtf s TYR 34 Ca 0.63 0.33 -0.23 0.00 -1.41 0.00 0.00 57.07 56.40 1wtf s TYR 34 Cb -0.18 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1wtf s TYR 34 CO 0.47 -0.84 0.75 0.08 -2.51 0.00 0.00 175.55 173.50 1wtf s VAL 35 N -3.68 4.87 -0.76 -3.49 1.01 -1.26 -1.52 120.40 115.58 1wtf s VAL 35 Ca 0.01 1.30 0.26 0.00 0.00 0.00 0.00 61.98 63.55 1wtf s VAL 35 Cb -0.01 -4.06 0.27 0.00 0.00 0.00 0.00 36.38 32.58 1wtf s VAL 35 CO -0.12 -0.09 1.79 0.35 0.00 0.00 0.00 175.10 177.03 1wtf n THR 36 N 5.32 0.52 0.23 3.92 -2.24 0.10 -1.40 114.28 120.73 1wtf n THR 36 Ca 0.03 -0.19 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1wtf n THR 36 Cb 0.48 -0.63 0.56 0.00 -2.10 0.00 0.00 70.33 68.65 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 -3.24 3.22 3.38 -1.86 -3.36 115.31 113.45 1wtf h LEU 37 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1wtf h LEU 37 Cb 0.66 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.21 1wtf h LEU 37 CO 0.00 0.16 -0.48 -0.90 0.09 0.00 0.00 178.44 177.31 1wtf n ASP 38 N -4.19 -0.56 -3.98 -0.43 3.85 -1.23 -4.87 116.55 105.15 1wtf n ASP 38 Ca -0.02 -2.06 -0.30 0.00 -0.71 0.00 0.00 54.79 51.69 1wtf n ASP 38 Cb 0.23 0.23 0.01 0.00 -1.35 0.00 0.00 41.12 40.24 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 -0.37 -3.67 -2.84 -1.12 4.64 -0.99 -2.19 116.55 110.01 1wtf n ASP 39 Ca -0.17 -0.86 -0.22 0.00 -1.38 0.00 0.00 54.79 52.16 1wtf n ASP 39 Cb 0.83 -3.54 0.03 0.00 -1.04 0.00 0.00 41.12 37.40 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 -2.82 -6.00 -0.24 1.67 5.15 -0.49 -4.90 115.26 107.63 1wtf n ASN 40 Ca -0.01 -0.24 0.09 0.00 -0.60 0.00 0.00 54.58 53.82 1wtf n ASN 40 Cb 0.55 -4.84 -0.05 0.00 -0.53 0.00 0.00 39.78 34.90 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 -3.80 1.19 -3.48 1.20 1.13 -0.93 -4.76 117.38 107.93 1wtf n GLN 41 Ca -0.13 -0.50 -0.21 0.00 -1.94 0.00 0.00 57.00 54.23 1wtf n GLN 41 Cb 0.63 -1.38 0.08 0.00 0.11 0.00 0.00 30.24 29.68 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 1.36 -0.42 0.00 1.08 0.00 -1.26 -0.35 105.19 105.61 1wtf n GLY 42 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.62 0.00 -4.01 -0.61 -5.35 -1.26 -0.85 119.36 102.66 1wtf n ILE 43 Ca -0.07 -0.38 -0.35 0.00 -0.27 0.00 0.00 62.75 61.69 1wtf n ILE 43 Cb 0.58 1.04 -0.09 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.64 4.88 0.31 7.28 1.01 -1.26 -5.00 120.40 126.97 1wtf s VAL 44 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1wtf s VAL 44 Cb 0.00 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 1wtf s VAL 44 CO 0.00 0.50 1.43 -1.61 0.00 0.00 0.00 175.10 175.42 1wtf s GLU 45 N 0.04 4.24 0.05 2.72 2.02 -1.26 -4.66 118.70 121.85 1wtf s GLU 45 Ca 0.06 2.37 -0.31 0.00 0.02 0.00 0.00 54.97 57.12 1wtf s GLU 45 Cb -0.12 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 1wtf s GLU 45 CO 0.01 -0.40 1.22 0.08 0.02 0.00 0.00 175.26 176.18 1wtf s VAL 46 N -0.57 4.01 0.17 2.63 1.01 0.18 -4.94 120.40 122.89 1wtf s VAL 46 Ca 0.55 1.43 -0.33 0.00 0.00 0.00 0.00 61.98 63.63 1wtf s VAL 46 Cb -0.43 -3.92 -0.15 0.00 0.00 0.00 0.00 36.38 31.89 1wtf s VAL 46 CO 0.51 0.10 1.39 -2.65 0.00 0.00 0.00 175.10 174.45 1wtf n PRO 47 N 4.11 1.72 -0.35 2.72 -0.02 -1.26 -4.70 135.00 137.21 1wtf n PRO 47 Ca 0.09 0.61 0.26 0.00 -2.02 0.00 0.00 63.50 62.45 1wtf n PRO 47 Cb 0.46 -2.27 0.53 0.00 -0.02 0.00 0.00 33.50 32.21 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 4.57 0.41 0.16 2.55 3.45 -2.00 0.20 116.42 125.77 1wtf h ASP 48 Ca -0.45 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.11 1wtf h ASP 48 Cb 1.29 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1wtf h ASP 48 CO 0.79 0.01 0.00 0.00 -1.57 0.00 0.00 179.24 178.47 1wtf n ILE 49 N -4.68 0.06 0.23 0.35 0.13 -1.26 -2.47 119.36 111.73 1wtf n ILE 49 Ca 0.28 0.02 0.04 0.00 -1.10 0.00 0.00 62.75 61.99 1wtf n ILE 49 Cb 1.01 -0.60 0.05 0.00 -0.84 0.00 0.00 39.64 39.26 1wtf n ILE 49 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1wtf n LEU 50 N -1.10 1.83 -0.21 9.51 4.77 0.69 -4.67 117.00 127.82 1wtf n LEU 50 Ca 0.17 -1.20 -0.04 0.00 -0.03 0.00 0.00 56.01 54.91 1wtf n LEU 50 Cb 0.13 -0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1wtf n LEU 50 CO 0.17 0.39 1.00 0.40 -1.33 0.00 0.00 177.39 178.02 1wtf h ILE 51 N 1.47 1.24 -0.53 -0.08 1.08 -1.41 -0.35 117.51 118.93 1wtf h ILE 51 Ca 0.00 -0.84 -0.08 0.00 -0.39 0.00 0.00 64.86 63.55 1wtf h ILE 51 Cb 0.38 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1wtf h ILE 51 CO 0.00 0.33 0.00 0.44 -0.69 0.00 0.00 178.15 178.23 1wtf h ASP 52 N 0.98 0.91 -0.66 1.72 3.32 -1.83 -1.16 116.42 119.70 1wtf h ASP 52 Ca 0.22 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1wtf h ASP 52 Cb 0.27 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1wtf h ASP 52 CO -0.01 0.99 0.27 0.44 -1.72 0.00 0.00 179.24 179.21 1wtf h ASP 53 N 0.80 0.91 -0.46 6.45 3.45 -1.80 -1.00 116.42 124.78 1wtf h ASP 53 Ca 0.15 -0.17 0.06 0.00 0.43 0.00 0.00 57.03 57.51 1wtf h ASP 53 Cb 0.52 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 39.00 1wtf h ASP 53 CO 0.03 0.83 0.14 -0.03 -1.57 0.00 0.00 179.24 178.64 1wtf h MET 54 N 0.93 0.30 -0.15 3.56 4.05 -0.69 -0.12 114.93 122.80 1wtf h MET 54 Ca 0.22 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1wtf h MET 54 Cb 0.20 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1wtf h MET 54 CO -0.02 0.20 -0.36 0.52 0.23 0.00 0.00 176.91 177.47 1wtf h MET 55 N 0.30 0.33 -0.18 0.39 2.86 -0.87 0.54 114.93 118.31 1wtf h MET 55 Ca 0.22 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1wtf h MET 55 Cb 0.24 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1wtf h MET 55 CO -0.24 0.65 0.04 -0.44 1.06 0.00 0.00 176.91 177.98 1wtf h ASP 56 N 0.28 0.03 -0.38 1.22 3.45 -0.33 0.56 116.42 121.24 1wtf h ASP 56 Ca 0.03 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 1wtf h ASP 56 Cb 0.77 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.55 1wtf h ASP 56 CO 0.06 0.04 0.17 0.00 -1.57 0.00 0.00 179.24 177.94 1wtf h ALA 57 N 1.12 0.49 -0.42 3.45 0.00 -0.66 0.57 119.26 123.82 1wtf h ALA 57 Ca 0.08 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1wtf h ALA 57 Cb 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1wtf h ALA 57 CO -0.10 0.08 0.11 0.35 0.00 0.00 0.00 179.25 179.69 1wtf h PHE 58 N 0.47 0.18 0.00 0.00 3.57 -0.64 -1.16 116.94 119.36 1wtf h PHE 58 Ca 0.13 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 1wtf h PHE 58 Cb 0.16 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1wtf h PHE 58 CO -0.01 0.04 -0.66 0.93 -2.23 0.00 0.00 178.31 176.38 1wtf h GLU 59 N 0.25 0.00 0.00 1.11 5.08 -0.80 -3.30 114.58 116.92 1wtf h GLU 59 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1wtf h GLU 59 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1wtf h GLU 59 CO -0.24 0.66 -0.19 0.78 -1.00 0.00 0.00 179.01 179.02 1wtf h GLY 60 N 2.55 0.00 -5.76 -3.84 0.00 -0.44 -3.45 103.07 92.13 1wtf h GLY 60 Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1wtf h GLY 60 CO 0.09 0.00 1.15 0.00 0.00 0.00 0.00 176.54 177.78 1wtf h PRO 62 N 10.60 0.00 -0.25 0.00 0.11 -1.92 -2.85 132.00 137.69 1wtf h PRO 62 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1wtf h PRO 62 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wtf h PRO 62 CO 0.97 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 179.13 1wtf n THR 63 N -4.27 0.32 -3.20 -1.15 -2.24 -1.26 -4.95 114.28 97.52 1wtf n THR 63 Ca -0.03 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1wtf n THR 63 Cb 0.19 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.19 -5.11 0.16 3.42 8.00 -1.08 -4.88 116.55 118.25 1wtf n ASP 64 Ca 0.18 -0.35 0.11 0.00 0.71 0.00 0.00 54.79 55.44 1wtf n ASP 64 Cb 0.54 -4.16 0.09 0.00 -0.02 0.00 0.00 41.12 37.57 1wtf n ASP 64 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1wtf h SER 65 N -1.28 0.00 -3.35 -2.24 0.02 -1.89 -3.44 113.55 101.36 1wtf h SER 65 Ca -0.49 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.90 1wtf h SER 65 Cb 1.33 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 1wtf h SER 65 CO 0.56 0.01 0.35 -0.63 -1.14 0.00 0.00 176.83 175.98 1wtf s ILE 66 N -3.27 4.89 0.09 3.27 -1.09 -1.26 -0.57 121.20 123.25 1wtf s ILE 66 Ca 0.03 1.86 0.07 0.00 -2.23 0.00 0.00 60.65 60.39 1wtf s ILE 66 Cb 0.07 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1wtf s ILE 66 CO 0.73 0.13 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.92 1wtf s LYS 67 N 1.32 2.12 -0.03 2.79 -0.14 -0.11 -4.88 119.74 120.81 1wtf s LYS 67 Ca 0.46 -1.01 0.02 0.00 -1.36 0.00 0.00 55.97 54.09 1wtf s LYS 67 Cb -0.19 -2.29 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 1wtf s LYS 67 CO 0.22 0.52 -0.08 0.08 -0.76 0.00 0.00 175.35 175.32 1wtf s VAL 68 N -1.16 0.73 0.15 3.17 1.01 -1.26 -2.52 120.40 120.52 1wtf s VAL 68 Ca 0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1wtf s VAL 68 Cb -0.11 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1wtf s VAL 68 CO 0.12 0.24 0.28 0.00 0.00 0.00 0.00 175.10 175.73 1wtf s ALA 69 N 0.29 -0.10 -1.61 5.51 0.00 -0.45 -4.98 121.76 120.42 1wtf s ALA 69 Ca -0.04 -0.79 0.19 0.00 0.00 0.00 0.00 51.96 51.32 1wtf s ALA 69 Cb -0.09 0.78 0.63 0.00 0.00 0.00 0.00 23.12 24.44 1wtf s ALA 69 CO 0.00 -0.62 1.53 -0.40 0.00 0.00 0.00 175.76 176.27 1wtf n ASP 70 N -0.19 4.02 -4.10 0.00 3.85 -1.26 -0.22 116.55 118.65 1wtf n ASP 70 Ca -0.09 -2.20 -0.09 0.00 -0.71 0.00 0.00 54.79 51.71 1wtf n ASP 70 Cb 0.63 -0.50 -0.10 0.00 -1.35 0.00 0.00 41.12 39.79 1wtf n ASP 70 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1wtf s GLU 71 N -1.44 0.65 0.63 0.11 2.02 -1.26 -4.63 118.70 114.77 1wtf s GLU 71 Ca 0.46 -1.18 -0.18 0.00 0.02 0.00 0.00 54.97 54.09 1wtf s GLU 71 Cb 0.27 0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.54 1wtf s GLU 71 CO 0.27 -0.07 1.23 -2.14 0.02 0.00 0.00 175.26 174.57 1wtf s PRO 72 N -3.58 2.71 0.11 0.39 0.02 -1.26 -4.70 135.00 128.69 1wtf s PRO 72 Ca 0.06 1.88 0.24 0.00 0.02 0.00 0.00 61.00 63.20 1wtf s PRO 72 Cb 0.05 -1.89 0.25 0.00 0.02 0.00 0.00 34.50 32.92 1wtf s PRO 72 CO -0.07 -1.42 1.23 0.74 -0.33 0.00 0.00 177.00 177.14 1wtf h PHE 73 N 0.58 0.00 -6.63 6.54 -1.00 -1.20 -3.48 116.94 111.75 1wtf h PHE 73 Ca -0.50 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.75 1wtf h PHE 73 Cb 1.31 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.76 1wtf h PHE 73 CO 0.45 0.00 -0.88 -0.25 -1.61 0.00 0.00 178.31 176.02 1wtf n ASP 74 N -2.14 -0.97 0.00 2.17 8.00 -1.17 -1.19 116.55 121.25 1wtf n ASP 74 Ca 0.03 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1wtf n ASP 74 Cb 0.45 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 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 -1.90 2.66 3.34 0.44 0.00 0.53 -5.00 105.19 105.26 1wtf n GLY 75 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.13 5.90 0.40 1.61 3.68 -0.33 -4.94 116.67 119.85 1wtf s ASP 76 Ca 0.00 -1.33 0.28 0.00 2.13 0.00 0.00 52.55 53.63 1wtf s ASP 76 Cb 0.00 -2.09 1.36 0.00 -1.45 0.00 0.00 42.92 40.74 1wtf s ASP 76 CO 0.00 -0.56 1.85 1.55 0.13 0.00 0.00 175.17 178.14 1wtf h PRO 77 N 8.58 0.00 -0.58 4.34 0.13 -1.88 -2.41 132.00 140.18 1wtf h PRO 77 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1wtf h PRO 77 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1wtf h PRO 77 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 1wtf n ASN 78 N -2.53 3.60 -0.33 1.44 3.02 -1.26 -4.69 115.26 114.52 1wtf n ASN 78 Ca -0.00 -2.02 0.20 0.00 -0.03 0.00 0.00 54.58 52.72 1wtf n ASN 78 Cb 0.15 -0.40 0.45 0.00 -0.61 0.00 0.00 39.78 39.38 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 3.40 0.48 -0.71 3.52 3.64 -1.76 -1.82 116.57 123.31 1wtf h LYS 79 Ca 0.00 -0.03 -0.38 0.00 -1.27 0.00 0.00 60.65 58.97 1wtf h LYS 79 Cb 0.91 -0.11 -0.22 0.00 -0.41 0.00 0.00 32.23 32.40 1wtf h LYS 79 CO 0.01 0.32 0.32 1.19 -2.27 0.00 0.00 179.45 179.01 1wtf n PHE 80 N -4.69 2.21 0.00 1.91 3.01 -1.26 -5.18 117.46 113.46 1wtf n PHE 80 Ca 0.25 -1.80 0.00 0.00 1.01 0.00 0.00 57.45 56.91 1wtf n PHE 80 Cb 0.79 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1wtf n PHE 80 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16