#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hay s LYS 2 N 0.00 1.54 0.18 3.17 2.20 -0.94 -4.95 119.74 120.94 3hay s LYS 2 Ca 0.00 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.53 3hay s LYS 2 Cb 0.00 -1.66 -0.07 0.00 -1.51 0.00 0.00 37.83 34.59 3hay s LYS 2 CO 0.00 0.43 0.50 0.50 -0.36 0.00 0.00 175.35 176.42 3hay s ARG 3 N -1.16 3.79 -0.09 4.03 3.52 -1.26 -0.96 118.95 126.83 3hay s ARG 3 Ca 0.09 0.24 -0.11 0.00 -0.13 0.00 0.00 55.73 55.81 3hay s ARG 3 Cb -0.09 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 3hay s ARG 3 CO 0.02 0.40 -0.21 1.28 -0.81 0.00 0.00 175.30 175.97 3hay n LEU 4 N 0.18 1.43 0.00 -0.88 4.32 -1.05 -4.91 117.00 116.09 3hay n LEU 4 Ca -0.02 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3hay n LEU 4 Cb 0.52 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 3hay n LEU 4 CO 0.45 -0.41 0.00 0.61 -1.22 0.00 0.00 177.39 176.82 3hay n GLY 5 N 1.99 0.06 3.79 -0.72 0.00 -1.25 -4.26 105.19 104.80 3hay n GLY 5 Ca -0.09 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 3hay n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hay s LYS 6 N -2.00 4.30 0.10 1.61 2.47 -1.26 -2.94 119.74 122.01 3hay s LYS 6 Ca 0.00 0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 54.91 3hay s LYS 6 Cb 0.00 -3.28 -0.06 0.00 -1.46 0.00 0.00 37.83 33.03 3hay s LYS 6 CO 0.00 0.53 1.17 0.08 0.16 0.00 0.00 175.35 177.29 3hay s VAL 7 N -0.79 3.97 -0.10 4.02 1.01 0.12 -3.37 120.40 125.26 3hay s VAL 7 Ca 0.31 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.76 3hay s VAL 7 Cb -0.20 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 3hay s VAL 7 CO 0.20 0.16 -0.04 -0.07 0.00 0.00 0.00 175.10 175.34 3hay h LEU 8 N 6.23 0.00 -7.27 3.92 3.38 -1.27 -3.27 115.31 117.03 3hay h LEU 8 Ca -0.43 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.72 3hay h LEU 8 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 3hay h LEU 8 CO 0.78 0.52 0.56 -1.38 0.09 0.00 0.00 178.44 179.01 3hay s HIS 9 N -1.67 -0.21 -0.33 1.13 -3.43 -1.24 -4.70 115.29 104.85 3hay s HIS 9 Ca -0.04 0.02 -0.12 0.00 -0.80 0.00 0.00 55.06 54.13 3hay s HIS 9 Cb 0.01 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.71 3hay s HIS 9 CO 0.05 -0.58 0.21 -0.47 -2.00 0.00 0.00 174.74 171.95 3hay s TYR 10 N -3.03 3.21 0.52 0.38 5.04 -1.26 -1.12 117.35 121.09 3hay s TYR 10 Ca 0.09 -0.33 -0.20 0.00 -2.44 0.00 0.00 57.07 54.19 3hay s TYR 10 Cb -0.00 -2.43 -0.06 0.00 0.35 0.00 0.00 41.96 39.81 3hay s TYR 10 CO -0.04 -0.39 1.12 0.00 -1.34 0.00 0.00 175.55 174.90 3hay s ALA 11 N 1.68 2.76 0.18 3.97 0.00 0.11 -4.95 121.76 125.52 3hay s ALA 11 Ca 0.06 0.80 0.34 0.00 0.00 0.00 0.00 51.96 53.16 3hay s ALA 11 Cb -0.17 -3.35 1.44 0.00 0.00 0.00 0.00 23.12 21.05 3hay s ALA 11 CO 0.09 -0.68 2.02 1.57 0.00 0.00 0.00 175.76 178.76 3hay h LYS 12 N 1.37 0.00 0.00 0.00 2.10 -1.99 -2.98 116.57 115.08 3hay h LYS 12 Ca -0.50 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.05 3hay h LYS 12 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 3hay h LYS 12 CO 0.58 0.03 -0.50 1.96 -2.00 0.00 0.00 179.45 179.51 3hay h GLN 13 N 0.00 0.00 0.00 0.07 4.20 -2.04 -3.46 115.11 113.87 3hay h GLN 13 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hay h GLN 13 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3hay h GLN 13 CO 0.00 0.50 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 3hay n GLY 14 N 0.08 0.67 2.81 3.46 0.00 -1.13 -5.16 105.19 105.93 3hay n GLY 14 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3hay n GLY 14 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hay s PHE 15 N -0.93 0.03 -0.32 1.61 0.40 -1.23 -4.45 117.98 113.09 3hay s PHE 15 Ca 0.00 0.07 -0.16 0.00 -0.60 0.00 0.00 56.93 56.24 3hay s PHE 15 Cb 0.00 -0.15 -0.02 0.00 0.51 0.00 0.00 43.02 43.36 3hay s PHE 15 CO 0.00 -0.05 0.41 -0.51 0.70 0.00 0.00 175.22 175.76 3hay s LEU 16 N 0.64 4.29 -0.27 -0.37 1.43 -0.94 0.07 118.68 123.54 3hay s LEU 16 Ca -0.05 -0.01 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 3hay s LEU 16 Cb -0.08 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 3hay s LEU 16 CO -0.02 -0.33 0.62 -0.63 0.23 0.00 0.00 176.35 176.22 3hay s ILE 17 N 2.13 4.98 0.03 -0.59 1.09 -0.27 -2.17 121.20 126.40 3hay s ILE 17 Ca 0.15 1.03 0.06 0.00 -1.10 0.00 0.00 60.65 60.79 3hay s ILE 17 Cb -0.16 -3.94 -0.03 0.00 -1.06 0.00 0.00 42.46 37.27 3hay s ILE 17 CO 0.12 -0.02 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.08 3hay s VAL 18 N 2.52 2.91 -0.44 2.92 1.01 -0.40 -0.72 120.40 128.20 3hay s VAL 18 Ca 0.25 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3hay s VAL 18 Cb -0.15 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.07 3hay s VAL 18 CO 0.09 0.36 0.32 -0.60 0.00 0.00 0.00 175.10 175.27 3hay s ARG 19 N -1.39 2.80 0.46 2.72 6.06 -1.22 -1.06 118.95 127.32 3hay s ARG 19 Ca 0.15 -1.36 0.05 0.00 -2.50 0.00 0.00 55.73 52.07 3hay s ARG 19 Cb -0.11 -3.94 -0.04 0.00 0.06 0.00 0.00 34.95 30.93 3hay s ARG 19 CO 0.05 -0.96 0.11 -0.08 -2.50 0.00 0.00 175.30 171.92 3hay s THR 20 N 1.54 1.81 -0.04 4.11 -1.32 -1.09 -4.07 115.64 116.58 3hay s THR 20 Ca 0.03 -1.85 0.06 0.00 -1.21 0.00 0.00 61.69 58.73 3hay s THR 20 Cb -0.23 -2.66 -0.09 0.00 -1.51 0.00 0.00 72.50 68.01 3hay s THR 20 CO 0.05 0.00 0.14 -0.46 -2.21 0.00 0.00 174.62 172.14 3hay n ASN 21 N -1.23 3.23 -4.85 8.08 6.94 -1.26 -3.04 115.26 123.13 3hay n ASN 21 Ca -0.07 -0.08 -0.21 0.00 -0.02 0.00 0.00 54.58 54.19 3hay n ASN 21 Cb 0.66 1.23 -0.04 0.00 -2.36 0.00 0.00 39.78 39.27 3hay n ASN 21 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3hay s TRP 22 N -2.29 2.86 -0.44 -2.53 1.48 -1.26 -4.63 118.94 112.12 3hay s TRP 22 Ca -0.02 -0.34 -0.17 0.00 -1.06 0.00 0.00 56.10 54.52 3hay s TRP 22 Cb 0.04 -1.85 0.04 0.00 -1.16 0.00 0.00 33.47 30.53 3hay s TRP 22 CO 0.24 0.14 0.44 0.08 -4.06 0.00 0.00 176.95 173.79 3hay s VAL 23 N -2.34 5.11 0.76 -0.66 1.01 -1.26 -4.84 120.40 118.18 3hay s VAL 23 Ca 0.42 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3hay s VAL 23 Cb -0.05 -4.08 0.16 0.00 0.00 0.00 0.00 36.38 32.41 3hay s VAL 23 CO 0.27 -0.50 1.04 -0.81 0.00 0.00 0.00 175.10 175.10 3hay n PRO 24 N 5.55 -0.54 -3.16 2.72 -0.05 -1.26 -5.14 135.00 133.13 3hay n PRO 24 Ca -0.09 -2.22 -0.16 0.00 -0.05 0.00 0.00 63.50 60.98 3hay n PRO 24 Cb 0.46 -0.88 -0.02 0.00 -0.05 0.00 0.00 33.50 33.00 3hay n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3hay n SER 25 N -3.29 2.45 -4.74 3.54 3.41 -1.26 -5.08 113.62 108.65 3hay n SER 25 Ca 0.15 -2.10 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 3hay n SER 25 Cb 0.53 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 3hay n SER 25 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hay s LEU 26 N 0.00 4.55 -0.89 1.04 1.98 -1.26 -4.26 118.68 119.83 3hay s LEU 26 Ca 0.06 1.89 -0.03 0.00 -2.89 0.00 0.00 54.13 53.15 3hay s LEU 26 Cb -0.00 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.21 3hay s LEU 26 CO 0.04 -0.00 0.81 0.59 -1.89 0.00 0.00 176.35 175.89 3hay n ASN 27 N 2.26 -7.20 -4.82 3.68 3.02 -1.12 -5.04 115.26 106.04 3hay n ASN 27 Ca 0.01 -0.39 -0.33 0.00 -0.03 0.00 0.00 54.58 53.83 3hay n ASN 27 Cb 0.48 -5.25 -0.06 0.00 -0.61 0.00 0.00 39.78 34.34 3hay n ASN 27 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hay s ASP 28 N -3.19 5.91 0.18 6.41 -0.00 -1.26 -4.85 116.67 119.86 3hay s ASP 28 Ca 0.23 0.21 -0.30 0.00 -0.00 0.00 0.00 52.55 52.69 3hay s ASP 28 Cb -0.03 -1.75 -0.08 0.00 -0.00 0.00 0.00 42.92 41.06 3hay s ASP 28 CO 0.74 0.27 1.15 -0.13 -0.00 0.00 0.00 175.17 177.20 3hay s ARG 29 N -1.82 4.54 -0.15 8.23 0.52 -1.26 -2.03 118.95 126.98 3hay s ARG 29 Ca 0.24 1.79 0.02 0.00 -0.52 0.00 0.00 55.73 57.26 3hay s ARG 29 Cb -0.12 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.10 3hay s ARG 29 CO 0.16 -0.01 -0.20 0.08 0.02 0.00 0.00 175.30 175.34 3hay s VAL 30 N -0.10 1.99 0.15 3.52 1.01 -0.77 -2.42 120.40 123.78 3hay s VAL 30 Ca 0.51 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hay s VAL 30 Cb -0.31 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3hay s VAL 30 CO 0.35 0.53 -0.13 0.68 0.00 0.00 0.00 175.10 176.54 3hay s VAL 31 N 1.02 1.40 0.00 2.92 -7.23 -1.21 -0.96 120.40 116.33 3hay s VAL 31 Ca -0.02 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3hay s VAL 31 Cb -0.14 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3hay s VAL 31 CO -0.06 -0.58 0.00 -0.90 -0.31 0.00 0.00 175.10 173.25 3hay n ASP 32 N 0.02 0.00 0.22 4.85 3.85 -1.17 -0.21 116.55 124.11 3hay n ASP 32 Ca -0.11 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.08 3hay n ASP 32 Cb 0.59 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.69 3hay n ASP 32 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 3hay h LYS 33 N 0.00 0.00 -0.46 0.11 2.10 -1.93 -3.30 116.57 113.10 3hay h LYS 33 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 3hay h LYS 33 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 3hay h LYS 33 CO 0.00 0.15 0.09 0.54 -2.00 0.00 0.00 179.45 178.22 3hay n ARG 34 N -3.19 2.59 -2.96 0.07 1.74 -1.26 -4.97 116.66 108.68 3hay n ARG 34 Ca 0.02 -3.04 -0.21 0.00 -0.77 0.00 0.00 57.85 53.84 3hay n ARG 34 Cb 0.49 -1.94 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3hay n ARG 34 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hay n LEU 35 N -0.75 -2.62 -4.61 0.55 4.77 -1.24 -5.02 117.00 108.08 3hay n LEU 35 Ca 0.33 -0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 3hay n LEU 35 Cb 1.12 -2.87 -0.11 0.00 -2.33 0.00 0.00 43.42 39.23 3hay n LEU 35 CO 0.27 0.21 -0.34 -1.10 -1.33 0.00 0.00 177.39 175.09 3hay s GLN 36 N -5.62 3.06 0.26 3.23 -0.21 -1.26 -4.97 119.66 114.15 3hay s GLN 36 Ca 0.28 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.88 3hay s GLN 36 Cb -0.12 -2.76 -0.10 0.00 1.00 0.00 0.00 33.01 31.03 3hay s GLN 36 CO 0.35 0.59 1.47 0.12 -2.12 0.00 0.00 175.29 175.69 3hay s PHE 37 N -0.58 2.97 0.05 0.91 2.19 -1.26 -3.03 117.98 119.23 3hay s PHE 37 Ca 0.09 0.98 -0.03 0.00 0.33 0.00 0.00 56.93 58.31 3hay s PHE 37 Cb -0.12 -3.87 -0.01 0.00 -1.31 0.00 0.00 43.02 37.72 3hay s PHE 37 CO 0.02 -2.84 -0.05 0.28 1.83 0.00 0.00 175.22 174.46 3hay n VAL 38 N 2.28 1.21 -3.04 3.12 0.31 -0.14 -4.93 118.33 117.14 3hay n VAL 38 Ca 0.07 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 3hay n VAL 38 Cb 0.40 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 3hay n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hay n GLY 39 N 3.15 1.70 3.05 2.92 0.00 -1.13 -2.76 105.19 112.12 3hay n GLY 39 Ca -0.03 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 3hay n GLY 39 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hay s ILE 40 N -2.68 0.80 0.13 -0.61 2.07 -0.22 -1.85 121.20 118.84 3hay s ILE 40 Ca 0.00 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.42 3hay s ILE 40 Cb 0.00 -0.69 -0.07 0.00 0.13 0.00 0.00 42.46 41.83 3hay s ILE 40 CO 0.00 0.16 1.25 -0.69 -1.91 0.00 0.00 174.94 173.75 3hay s VAL 41 N -0.36 3.65 0.00 4.00 1.01 -0.86 -0.87 120.40 126.97 3hay s VAL 41 Ca 0.03 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3hay s VAL 41 Cb -0.05 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3hay s VAL 41 CO -0.00 0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.53 3hay n LYS 42 N 3.30 2.41 -3.70 2.72 4.76 -1.21 -2.77 118.16 123.67 3hay n LYS 42 Ca 0.07 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 3hay n LYS 42 Cb 0.45 -0.83 -0.13 0.00 -1.84 0.00 0.00 35.03 32.68 3hay n LYS 42 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3hay s ASP 43 N -2.42 -0.07 -0.09 4.39 3.68 -1.21 -4.97 116.67 115.99 3hay s ASP 43 Ca 0.00 0.60 0.04 0.00 2.13 0.00 0.00 52.55 55.32 3hay s ASP 43 Cb 0.00 0.57 -0.01 0.00 -1.45 0.00 0.00 42.92 42.04 3hay s ASP 43 CO 0.00 -0.20 -0.22 -0.69 0.13 0.00 0.00 175.17 174.19 3hay s VAL 44 N 1.73 2.24 0.09 1.11 1.01 -1.26 -1.44 120.40 123.89 3hay s VAL 44 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3hay s VAL 44 Cb -0.11 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3hay s VAL 44 CO -0.09 0.56 0.16 2.22 0.00 0.00 0.00 175.10 177.94 3hay n PHE 45 N 3.34 -0.98 -2.70 5.22 -1.74 -1.09 -5.06 117.46 114.44 3hay n PHE 45 Ca -0.18 -0.54 0.00 0.00 -0.56 0.00 0.00 57.45 56.16 3hay n PHE 45 Cb 0.53 0.18 0.00 0.00 1.52 0.00 0.00 39.48 41.71 3hay n PHE 45 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hay n GLY 46 N -0.14 -1.88 3.48 4.97 0.00 -1.26 -2.11 105.19 108.25 3hay n GLY 46 Ca -0.01 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 3hay n GLY 46 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hay s PRO 47 N 0.00 -1.17 -0.06 1.61 0.02 -1.26 -4.87 135.00 129.27 3hay s PRO 47 Ca 0.00 0.65 -0.27 0.00 0.02 0.00 0.00 61.00 61.40 3hay s PRO 47 Cb 0.00 -1.54 -0.22 0.00 0.02 0.00 0.00 34.50 32.76 3hay s PRO 47 CO 0.00 -3.84 1.09 -0.24 -0.33 0.00 0.00 177.00 173.68 3hay h VAL 48 N -2.70 1.52 -0.08 3.83 3.04 -2.01 -3.26 116.25 116.60 3hay h VAL 48 Ca -0.59 -1.56 -0.15 0.00 -1.01 0.00 0.00 66.70 63.40 3hay h VAL 48 Cb 1.34 2.57 0.01 0.00 -2.01 0.00 0.00 31.29 33.20 3hay h VAL 48 CO 0.49 0.40 -0.52 0.11 -1.01 0.00 0.00 177.57 177.04 3hay h LYS 49 N -0.67 0.49 -2.75 4.17 1.79 -1.94 -3.40 116.57 114.26 3hay h LYS 49 Ca -0.00 -0.43 -0.60 0.00 -2.18 0.00 0.00 60.65 57.44 3hay h LYS 49 Cb 0.66 0.10 -0.40 0.00 -1.58 0.00 0.00 32.23 31.01 3hay h LYS 49 CO 0.00 1.06 -0.78 1.41 -1.08 0.00 0.00 179.45 180.06 3hay s MET 50 N -3.58 1.55 0.36 3.15 1.75 -1.26 -4.62 119.30 116.65 3hay s MET 50 Ca -0.13 -2.54 -0.18 0.00 -1.25 0.00 0.00 55.69 51.59 3hay s MET 50 Cb 0.05 -2.33 -0.10 0.00 2.84 0.00 0.00 34.83 35.30 3hay s MET 50 CO 0.82 -1.31 0.83 -1.25 -0.65 0.00 0.00 175.02 173.47 3hay s PRO 51 N -0.44 4.13 0.37 4.11 0.04 -1.17 -4.31 135.00 137.74 3hay s PRO 51 Ca 0.27 0.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 3hay s PRO 51 Cb -0.05 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 3hay s PRO 51 CO -0.15 0.09 0.79 0.71 0.04 0.00 0.00 177.00 178.49 3hay s TYR 52 N -2.04 3.40 -0.08 0.56 1.51 -0.89 -2.65 117.35 117.15 3hay s TYR 52 Ca 0.57 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.87 3hay s TYR 52 Cb -0.10 -2.57 0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3hay s TYR 52 CO 0.16 -0.03 -0.07 0.08 -1.11 0.00 0.00 175.55 174.58 3hay s VAL 53 N -2.17 0.87 -0.16 0.71 1.01 -0.22 -2.69 120.40 117.76 3hay s VAL 53 Ca 0.55 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 3hay s VAL 53 Cb -0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3hay s VAL 53 CO 0.22 0.32 0.25 0.00 0.00 0.00 0.00 175.10 175.89 3hay s ALA 54 N 1.30 3.65 -0.09 5.51 0.00 -0.52 -1.27 121.76 130.34 3hay s ALA 54 Ca -0.04 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.44 3hay s ALA 54 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3hay s ALA 54 CO -0.03 0.19 -0.17 0.42 0.00 0.00 0.00 175.76 176.17 3hay s ILE 55 N 0.19 2.73 -0.41 0.00 -1.09 -0.92 -3.29 121.20 118.40 3hay s ILE 55 Ca 0.15 -0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 57.51 3hay s ILE 55 Cb -0.13 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.69 3hay s ILE 55 CO 0.03 0.55 0.92 -0.75 -1.23 0.00 0.00 174.94 174.46 3hay s LYS 56 N -0.01 3.69 -0.23 2.79 2.47 -0.05 -2.20 119.74 126.19 3hay s LYS 56 Ca -0.05 0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 54.42 3hay s LYS 56 Cb -0.14 -3.86 0.00 0.00 -1.46 0.00 0.00 37.83 32.37 3hay s LYS 56 CO 0.04 -1.08 1.14 -2.14 0.16 0.00 0.00 175.35 173.48 3hay s PRO 57 N 3.59 4.19 -0.55 4.03 0.02 -1.26 -1.05 135.00 143.96 3hay s PRO 57 Ca 0.37 1.39 0.01 0.00 0.02 0.00 0.00 61.00 62.80 3hay s PRO 57 Cb -0.11 -3.72 0.48 0.00 0.02 0.00 0.00 34.50 31.18 3hay s PRO 57 CO 0.22 -0.75 1.83 1.63 -0.33 0.00 0.00 177.00 179.61 3hay n LYS 58 N 6.60 2.74 -4.46 5.54 5.02 -1.11 -4.97 118.16 127.52 3hay n LYS 58 Ca 0.13 -3.41 -0.22 0.00 -2.02 0.00 0.00 58.31 52.79 3hay n LYS 58 Cb 0.46 -2.24 -0.11 0.00 -0.02 0.00 0.00 35.03 33.12 3hay n LYS 58 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hay s VAL 59 N -4.49 1.45 0.05 -0.18 -7.23 -1.23 -4.88 120.40 103.89 3hay s VAL 59 Ca 0.60 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 3hay s VAL 59 Cb 0.48 -2.67 -0.21 0.00 0.56 0.00 0.00 36.38 34.53 3hay s VAL 59 CO 0.01 -0.13 1.18 0.77 -0.31 0.00 0.00 175.10 176.63 3hay h SER 60 N 2.15 0.75 -3.84 4.85 4.64 -1.94 -3.42 113.55 116.74 3hay h SER 60 Ca -0.41 -0.71 -0.65 0.00 -0.47 0.00 0.00 61.79 59.55 3hay h SER 60 Cb 1.24 -0.23 -0.40 0.00 -0.31 0.00 0.00 62.40 62.70 3hay h SER 60 CO 0.70 1.36 -0.70 0.20 -0.87 0.00 0.00 176.83 177.52 3hay s ASN 61 N -6.98 4.58 0.00 4.97 0.02 -1.26 -4.92 114.94 111.35 3hay s ASN 61 Ca -0.11 -2.37 0.15 0.00 -1.02 0.00 0.00 52.86 49.50 3hay s ASN 61 Cb 0.06 -1.58 0.42 0.00 0.02 0.00 0.00 41.25 40.17 3hay s ASN 61 CO 0.87 -0.34 1.35 -0.81 0.02 0.00 0.00 177.10 178.19 3hay n PRO 62 N 3.96 2.03 0.05 -0.60 -0.04 -1.26 -4.19 135.00 134.95 3hay n PRO 62 Ca 0.04 -1.59 0.12 0.00 -0.04 0.00 0.00 63.50 62.03 3hay n PRO 62 Cb 0.39 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 3hay n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hay n GLU 63 N 0.79 0.34 0.01 0.54 4.71 -1.26 -3.92 120.64 121.86 3hay n GLU 63 Ca 0.15 0.06 0.12 0.00 -0.01 0.00 0.00 57.16 57.48 3hay n GLU 63 Cb 0.38 -1.67 0.14 0.00 -1.01 0.00 0.00 31.44 29.28 3hay n GLU 63 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 3hay n ILE 64 N -2.14 0.06 -0.11 -3.67 -5.35 -1.26 -4.18 119.36 102.71 3hay n ILE 64 Ca 0.02 -0.07 -0.11 0.00 -0.27 0.00 0.00 62.75 62.33 3hay n ILE 64 Cb 0.45 0.34 0.10 0.00 -1.74 0.00 0.00 39.64 38.79 3hay n ILE 64 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hay n TYR 65 N -1.63 1.50 -3.08 4.28 4.01 -1.25 -4.86 117.16 116.12 3hay n TYR 65 Ca 0.04 -1.10 -0.41 0.00 -0.16 0.00 0.00 57.90 56.27 3hay n TYR 65 Cb 0.36 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 38.75 3hay n TYR 65 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hay s VAL 66 N -1.68 4.93 -0.00 -0.72 -7.23 -1.26 -3.96 120.40 110.47 3hay s VAL 66 Ca 0.29 1.02 -0.00 0.00 -1.81 0.00 0.00 61.98 61.48 3hay s VAL 66 Cb 0.24 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 33.18 3hay s VAL 66 CO 0.06 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 3hay n GLY 67 N 4.28 0.65 3.61 2.32 0.00 -1.23 -5.07 105.19 109.74 3hay n GLY 67 Ca -0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 3hay n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hay s GLU 68 N -4.41 1.95 -0.23 1.61 0.41 -1.25 -4.89 118.70 111.89 3hay s GLU 68 Ca 0.00 -2.14 -0.02 0.00 -0.41 0.00 0.00 54.97 52.40 3hay s GLU 68 Cb -0.00 -1.38 0.02 0.00 -1.78 0.00 0.00 34.13 30.99 3hay s GLU 68 CO 0.00 -0.18 -0.08 0.08 -0.49 0.00 0.00 175.26 174.59 3hay s VAL 69 N -2.91 2.85 0.09 2.63 1.01 -1.26 0.12 120.40 122.93 3hay s VAL 69 Ca 0.28 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3hay s VAL 69 Cb 0.07 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3hay s VAL 69 CO 0.14 0.30 -0.00 -0.76 0.00 0.00 0.00 175.10 174.77 3hay s LEU 70 N 1.35 3.45 0.00 3.92 1.43 -1.15 -4.25 118.68 123.42 3hay s LEU 70 Ca 0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3hay s LEU 70 Cb -0.16 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3hay s LEU 70 CO -0.06 0.18 0.01 -1.22 0.23 0.00 0.00 176.35 175.49 3hay n TYR 71 N 0.59 0.37 -4.28 0.29 4.02 0.71 -2.53 117.16 116.32 3hay n TYR 71 Ca -0.11 -0.94 -0.26 0.00 -0.01 0.00 0.00 57.90 56.58 3hay n TYR 71 Cb 0.52 -0.13 -0.17 0.00 -0.02 0.00 0.00 39.34 39.54 3hay n TYR 71 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hay s VAL 72 N -1.66 1.15 0.04 -0.72 1.01 -0.13 -3.34 120.40 116.74 3hay s VAL 72 Ca 0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3hay s VAL 72 Cb -0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 3hay s VAL 72 CO 0.00 0.37 1.31 -0.62 0.00 0.00 0.00 175.10 176.17 3hay s ASP 73 N 1.13 6.94 0.00 3.32 3.68 -1.01 -2.21 116.67 128.52 3hay s ASP 73 Ca -0.05 2.09 0.04 0.00 2.13 0.00 0.00 52.55 56.76 3hay s ASP 73 Cb -0.14 -2.57 0.03 0.00 -1.45 0.00 0.00 42.92 38.79 3hay s ASP 73 CO -0.02 -0.61 0.63 1.21 0.13 0.00 0.00 175.17 176.51