#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4y n PRO 6 N 0.00 0.55 -2.26 0.52 -0.02 -1.26 -4.86 135.00 127.66 2q4y n PRO 6 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2q4y n PRO 6 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 2q4y n PRO 6 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2q4y s LYS 7 N -1.99 4.00 -0.13 -0.52 2.20 -1.26 -4.99 119.74 117.05 2q4y s LYS 7 Ca 0.00 1.62 -0.08 0.00 -0.36 0.00 0.00 55.97 57.15 2q4y s LYS 7 Cb 0.00 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 2q4y s LYS 7 CO 0.00 -1.03 0.15 0.42 -0.36 0.00 0.00 175.35 174.53 2q4y s ILE 8 N 4.37 5.47 0.06 5.43 1.01 -1.26 -3.51 121.20 132.77 2q4y s ILE 8 Ca 0.63 0.24 0.06 0.00 0.00 0.00 0.00 60.65 61.58 2q4y s ILE 8 Cb -0.23 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2q4y s ILE 8 CO 0.24 0.58 -0.17 0.68 0.00 0.00 0.00 174.94 176.27 2q4y s VAL 9 N -0.77 1.36 -0.87 2.92 -7.23 0.43 -4.90 120.40 111.34 2q4y s VAL 9 Ca 0.14 -1.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.89 2q4y s VAL 9 Cb -0.12 -1.24 0.13 0.00 0.56 0.00 0.00 36.38 35.71 2q4y s VAL 9 CO 0.03 -0.02 1.05 0.86 -0.31 0.00 0.00 175.10 176.71 2q4y s TRP 10 N -1.00 3.13 -0.97 2.82 -0.00 -1.26 0.27 118.94 121.93 2q4y s TRP 10 Ca 0.03 -1.34 -0.21 0.00 -0.00 0.00 0.00 56.10 54.58 2q4y s TRP 10 Cb -0.09 -4.22 0.08 0.00 -0.00 0.00 0.00 33.47 29.24 2q4y s TRP 10 CO 0.02 -1.44 1.31 1.21 -0.00 0.00 0.00 176.95 178.04 2q4y s ASN 11 N 3.50 6.53 0.31 5.86 2.47 0.10 -4.84 114.94 128.87 2q4y s ASN 11 Ca 0.29 -1.64 0.01 0.00 0.42 0.00 0.00 52.86 51.93 2q4y s ASN 11 Cb -0.08 -2.50 0.51 0.00 -1.45 0.00 0.00 41.25 37.74 2q4y s ASN 11 CO -0.06 -1.34 1.91 -0.33 -3.72 0.00 0.00 177.10 173.55 2q4y h GLU 12 N 9.42 0.81 -0.49 0.43 5.08 -1.94 -1.49 114.58 126.41 2q4y h GLU 12 Ca 0.16 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2q4y h GLU 12 Cb 1.02 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 2q4y h GLU 12 CO 1.29 0.65 0.03 0.78 -1.00 0.00 0.00 179.01 180.77 2q4y h GLY 13 N 0.92 0.53 -3.43 -3.84 0.00 -1.93 -0.21 103.07 95.11 2q4y h GLY 13 Ca 0.19 0.03 -0.20 0.00 0.00 0.00 0.00 47.33 47.36 2q4y h GLY 13 CO -0.02 -0.11 0.25 0.28 0.00 0.00 0.00 176.54 176.94 2q4y n LYS 14 N -5.19 3.34 -4.17 4.80 5.02 -1.18 -4.96 118.16 115.82 2q4y n LYS 14 Ca 0.05 -2.65 -0.32 0.00 -2.02 0.00 0.00 58.31 53.37 2q4y n LYS 14 Cb 0.26 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.11 2q4y n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2q4y n ARG 15 N -0.11 -1.40 -3.87 1.97 1.74 -0.09 -4.88 116.66 110.02 2q4y n ARG 15 Ca 0.36 0.17 -0.09 0.00 -0.77 0.00 0.00 57.85 57.52 2q4y n ARG 15 Cb 1.27 -3.67 -0.08 0.00 -1.02 0.00 0.00 32.46 28.96 2q4y n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2q4y s ARG 16 N -7.15 0.74 -0.13 5.56 1.70 -0.59 -2.02 118.95 117.07 2q4y s ARG 16 Ca 0.09 -0.82 -0.06 0.00 -0.47 0.00 0.00 55.73 54.48 2q4y s ARG 16 Cb -0.05 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 2q4y s ARG 16 CO 0.96 -0.22 0.07 -0.06 -1.08 0.00 0.00 175.30 174.98 2q4y s PHE 17 N -3.21 3.35 0.21 5.89 0.40 0.29 0.03 117.98 124.94 2q4y s PHE 17 Ca -0.00 0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 2q4y s PHE 17 Cb 0.02 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 2q4y s PHE 17 CO -0.07 0.45 0.41 -1.83 0.70 0.00 0.00 175.22 174.88 2q4y s GLU 18 N -0.47 1.37 1.03 0.44 -1.05 0.14 -0.58 118.70 119.58 2q4y s GLU 18 Ca 0.10 -1.16 -0.15 0.00 -0.15 0.00 0.00 54.97 53.61 2q4y s GLU 18 Cb -0.12 0.44 0.21 0.00 -0.44 0.00 0.00 34.13 34.22 2q4y s GLU 18 CO 0.02 -0.55 1.16 0.95 0.95 0.00 0.00 175.26 177.79 2q4y s THR 19 N -3.98 1.87 0.20 1.83 -4.23 -0.13 0.16 115.64 111.36 2q4y s THR 19 Ca 0.19 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2q4y s THR 19 Cb 0.01 -2.69 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 2q4y s THR 19 CO 0.04 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.28 2q4y h GLU 20 N -1.93 0.43 0.00 3.99 5.08 -1.91 -1.86 114.58 118.38 2q4y h GLU 20 Ca -0.48 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 2q4y h GLU 20 Cb 1.30 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2q4y h GLU 20 CO 0.48 0.92 0.00 -0.40 -1.00 0.00 0.00 179.01 179.01 2q4y n ASP 21 N -3.90 0.00 0.00 1.42 5.68 -1.26 -4.82 116.55 113.68 2q4y n ASP 21 Ca -0.03 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 2q4y n ASP 21 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 2q4y n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2q4y n HIS 22 N -0.86 0.00 0.07 2.11 8.25 -0.70 -4.86 115.22 119.23 2q4y n HIS 22 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.59 2q4y n HIS 22 Cb 0.06 -1.50 -0.05 0.00 1.12 0.00 0.00 29.99 29.62 2q4y n HIS 22 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2q4y h GLU 23 N 0.28 0.00 -5.67 -0.41 5.08 -1.88 -3.45 114.58 108.53 2q4y h GLU 23 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2q4y h GLU 23 Cb 0.69 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.74 2q4y h GLU 23 CO 0.00 0.47 -0.69 0.00 -1.00 0.00 0.00 179.01 177.80 2q4y s ALA 24 N -2.89 2.97 0.33 3.43 0.00 -1.26 -4.04 121.76 120.30 2q4y s ALA 24 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 2q4y s ALA 24 Cb 0.08 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.84 2q4y s ALA 24 CO 0.79 0.38 0.65 -0.59 0.00 0.00 0.00 175.76 176.99 2q4y s PHE 25 N -0.17 0.32 -0.04 0.00 -0.12 0.29 -0.96 117.98 117.30 2q4y s PHE 25 Ca 0.02 -0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 56.10 2q4y s PHE 25 Cb -0.13 0.48 0.03 0.00 -0.63 0.00 0.00 43.02 42.78 2q4y s PHE 25 CO 0.03 -1.30 0.07 -1.50 -0.05 0.00 0.00 175.22 172.46 2q4y s ILE 26 N -3.11 -0.07 -0.09 -4.49 2.07 0.26 -1.31 121.20 114.46 2q4y s ILE 26 Ca 0.19 0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 2q4y s ILE 26 Cb -0.03 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.39 2q4y s ILE 26 CO 0.12 0.10 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.60 2q4y s GLU 27 N 1.25 3.00 0.44 3.50 2.02 0.15 -0.54 118.70 128.51 2q4y s GLU 27 Ca -0.07 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2q4y s GLU 27 Cb -0.13 -2.73 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 2q4y s GLU 27 CO -0.04 0.61 0.02 1.52 0.02 0.00 0.00 175.26 177.40 2q4y s TYR 28 N -0.65 2.15 -0.07 1.61 -0.85 -0.86 0.37 117.35 119.06 2q4y s TYR 28 Ca 0.10 -0.86 0.02 0.00 -0.52 0.00 0.00 57.07 55.80 2q4y s TYR 28 Cb -0.12 -1.61 0.02 0.00 0.38 0.00 0.00 41.96 40.63 2q4y s TYR 28 CO 0.02 0.25 -0.11 0.21 -1.52 0.00 0.00 175.55 174.41 2q4y s LYS 29 N -3.79 1.54 0.17 -3.49 2.20 0.46 -4.84 119.74 111.98 2q4y s LYS 29 Ca 0.23 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 2q4y s LYS 29 Cb 0.06 -1.32 -0.07 0.00 -1.51 0.00 0.00 37.83 34.98 2q4y s LYS 29 CO 0.12 -0.01 1.04 -1.64 -0.36 0.00 0.00 175.35 174.49 2q4y s MET 30 N 0.79 4.66 0.15 4.03 -1.94 -1.26 0.13 119.30 125.86 2q4y s MET 30 Ca -0.12 1.62 -0.00 0.00 -1.71 0.00 0.00 55.69 55.47 2q4y s MET 30 Cb -0.15 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2q4y s MET 30 CO 0.02 0.17 0.06 1.03 -0.01 0.00 0.00 175.02 176.30 2q4y s ARG 31 N -0.40 1.01 -0.97 2.03 0.52 0.30 -4.79 118.95 116.65 2q4y s ARG 31 Ca 0.47 -1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 54.08 2q4y s ARG 31 Cb -0.27 0.15 -0.00 0.00 0.52 0.00 0.00 34.95 35.34 2q4y s ARG 31 CO 0.33 -0.26 0.72 -1.71 0.02 0.00 0.00 175.30 174.41 2q4y n ASN 32 N -0.16 -5.77 -4.18 0.23 5.15 -1.26 0.33 115.26 109.59 2q4y n ASN 32 Ca -0.04 -0.79 -0.35 0.00 -0.60 0.00 0.00 54.58 52.79 2q4y n ASN 32 Cb 0.64 -3.36 -0.06 0.00 -0.53 0.00 0.00 39.78 36.47 2q4y n ASN 32 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2q4y n ASN 33 N -2.45 -0.74 0.00 1.20 5.03 -1.26 -1.83 115.26 115.22 2q4y n ASN 33 Ca -0.13 -1.23 0.00 0.00 0.87 0.00 0.00 54.58 54.09 2q4y n ASN 33 Cb 0.60 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.85 2q4y n ASN 33 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2q4y n GLY 34 N -2.36 2.27 0.49 7.41 0.00 -1.06 -4.82 105.19 107.12 2q4y n GLY 34 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.92 2q4y n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4y n LYS 35 N -2.00 1.66 -4.35 1.61 5.02 -0.76 -4.79 118.16 114.55 2q4y n LYS 35 Ca 0.00 -0.99 -0.20 0.00 -2.02 0.00 0.00 58.31 55.10 2q4y n LYS 35 Cb 0.00 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.38 2q4y n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q4y s VAL 36 N -2.03 0.73 -0.25 -0.18 1.01 0.15 -2.07 120.40 117.76 2q4y s VAL 36 Ca 0.37 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2q4y s VAL 36 Cb 0.21 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.98 2q4y s VAL 36 CO 0.34 0.23 -0.10 -0.32 0.00 0.00 0.00 175.10 175.25 2q4y s MET 37 N 0.18 2.54 -0.43 2.72 1.75 0.11 0.11 119.30 126.28 2q4y s MET 37 Ca -0.03 -1.16 -0.20 0.00 -1.25 0.00 0.00 55.69 53.05 2q4y s MET 37 Cb -0.08 -2.90 0.02 0.00 2.84 0.00 0.00 34.83 34.71 2q4y s MET 37 CO 0.00 -0.47 0.62 0.34 -0.65 0.00 0.00 175.02 174.86 2q4y s ASP 38 N 1.21 6.31 -0.56 1.11 -1.08 0.35 0.18 116.67 124.20 2q4y s ASP 38 Ca -0.04 -0.34 -0.25 0.00 -0.52 0.00 0.00 52.55 51.40 2q4y s ASP 38 Cb -0.18 -2.31 0.04 0.00 -1.46 0.00 0.00 42.92 39.01 2q4y s ASP 38 CO -0.06 -0.74 0.98 -0.76 0.52 0.00 0.00 175.17 175.11 2q4y s LEU 39 N 2.73 4.01 -0.15 -1.34 1.43 0.44 0.17 118.68 125.97 2q4y s LEU 39 Ca 0.21 -0.30 0.12 0.00 -1.03 0.00 0.00 54.13 53.13 2q4y s LEU 39 Cb -0.14 -2.87 -0.18 0.00 0.03 0.00 0.00 46.19 43.03 2q4y s LEU 39 CO 0.18 -1.28 0.02 1.33 0.23 0.00 0.00 176.35 176.84 2q4y n VAL 40 N 6.26 1.04 -3.79 -1.59 0.24 0.16 -0.86 118.33 119.78 2q4y n VAL 40 Ca 0.03 -0.61 -0.15 0.00 -2.04 0.00 0.00 64.34 61.56 2q4y n VAL 40 Cb 0.48 -0.68 -0.16 0.00 -1.47 0.00 0.00 33.84 32.01 2q4y n VAL 40 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2q4y s HIS 41 N -2.37 0.06 -0.06 6.34 5.65 -1.03 -4.19 115.29 119.70 2q4y s HIS 41 Ca -0.10 0.11 0.05 0.00 0.25 0.00 0.00 55.06 55.37 2q4y s HIS 41 Cb 0.05 -0.25 -0.01 0.00 -1.18 0.00 0.00 32.58 31.19 2q4y s HIS 41 CO 0.59 -0.09 -0.22 0.99 -0.65 0.00 0.00 174.74 175.37 2q4y s THR 42 N 1.03 1.80 -0.09 0.89 2.01 -1.26 -0.68 115.64 119.33 2q4y s THR 42 Ca -0.09 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 2q4y s THR 42 Cb -0.13 -1.53 0.04 0.00 0.01 0.00 0.00 72.50 70.89 2q4y s THR 42 CO -0.03 0.50 0.23 -0.47 -0.69 0.00 0.00 174.62 174.16 2q4y s TYR 43 N -0.02 -0.29 -0.02 4.92 5.04 -0.43 -4.99 117.35 121.56 2q4y s TYR 43 Ca -0.06 0.70 0.07 0.00 -2.44 0.00 0.00 57.07 55.34 2q4y s TYR 43 Cb -0.13 0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.20 2q4y s TYR 43 CO 0.04 -0.19 -0.24 0.08 -1.34 0.00 0.00 175.55 173.89 2q4y s VAL 44 N 0.91 1.93 0.28 3.14 1.01 -1.26 -0.55 120.40 125.86 2q4y s VAL 44 Ca -0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 2q4y s VAL 44 Cb -0.08 -1.61 -0.13 0.00 0.00 0.00 0.00 36.38 34.57 2q4y s VAL 44 CO -0.06 0.55 1.45 -0.81 0.00 0.00 0.00 175.10 176.23 2q4y n PRO 45 N 2.55 2.27 -0.36 2.72 -0.04 -1.26 -4.82 135.00 136.07 2q4y n PRO 45 Ca -0.16 0.81 0.28 0.00 -0.04 0.00 0.00 63.50 64.39 2q4y n PRO 45 Cb 0.52 -2.49 0.54 0.00 -0.04 0.00 0.00 33.50 32.02 2q4y n PRO 45 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2q4y h SER 46 N 4.06 0.41 -0.55 3.54 0.02 -2.00 1.02 113.55 120.06 2q4y h SER 46 Ca -0.46 0.17 -0.33 0.00 -0.84 0.00 0.00 61.79 60.34 2q4y h SER 46 Cb 1.26 0.14 -0.12 0.00 0.14 0.00 0.00 62.40 63.81 2q4y h SER 46 CO 0.74 -0.16 0.23 2.22 -1.14 0.00 0.00 176.83 178.72 2q4y n PHE 47 N -4.94 1.13 -1.85 3.45 -1.74 -1.26 -3.68 117.46 108.57 2q4y n PHE 47 Ca 0.33 -1.77 0.00 0.00 -0.56 0.00 0.00 57.45 55.45 2q4y n PHE 47 Cb 1.13 -1.16 0.00 0.00 1.52 0.00 0.00 39.48 40.96 2q4y n PHE 47 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2q4y n LYS 48 N 1.03 0.00 -1.66 3.97 5.02 0.35 -5.16 118.16 121.71 2q4y n LYS 48 Ca 0.35 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.35 2q4y n LYS 48 Cb 0.62 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.73 2q4y n LYS 48 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2q4y s ARG 49 N 0.00 1.71 -0.44 1.97 0.52 -1.20 -3.99 118.95 117.51 2q4y s ARG 49 Ca 0.00 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 2q4y s ARG 49 Cb 0.00 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.57 2q4y s ARG 49 CO 0.00 -1.82 0.00 0.41 0.02 0.00 0.00 175.30 173.91 2q4y n GLY 50 N -2.52 0.39 0.91 -3.53 0.00 -1.26 -4.73 105.19 94.45 2q4y n GLY 50 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2q4y n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4y n LEU 51 N -0.66 3.38 0.00 0.99 4.77 -1.26 -5.00 117.00 119.23 2q4y n LEU 51 Ca -0.04 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 2q4y n LEU 51 Cb 0.29 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2q4y n LEU 51 CO 0.06 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2q4y n GLY 52 N 0.79 0.75 0.12 -0.72 0.00 -1.26 -4.99 105.19 99.88 2q4y n GLY 52 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2q4y n GLY 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q4y h LEU 53 N 0.00 0.30 -0.59 0.99 5.85 -1.92 -1.57 115.31 118.37 2q4y h LEU 53 Ca 0.00 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.53 2q4y h LEU 53 Cb 0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2q4y h LEU 53 CO 0.00 0.47 0.32 0.00 -0.34 0.00 0.00 178.44 178.89 2q4y h ALA 54 N 0.85 0.78 -0.30 1.25 0.00 -1.94 -1.46 119.26 118.44 2q4y h ALA 54 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2q4y h ALA 54 Cb 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2q4y h ALA 54 CO 0.00 -0.01 -0.01 1.03 0.00 0.00 0.00 179.25 180.27 2q4y h SER 55 N 0.61 -0.13 0.07 0.00 0.87 -1.96 0.78 113.55 113.78 2q4y h SER 55 Ca 0.26 0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.73 2q4y h SER 55 Cb 0.15 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2q4y h SER 55 CO -0.17 -0.03 -0.55 0.45 -0.53 0.00 0.00 176.83 176.00 2q4y h HIS 56 N 0.08 0.65 -0.20 2.24 -0.00 -0.57 -2.38 115.15 114.97 2q4y h HIS 56 Ca 0.14 -0.23 -0.03 0.00 -0.00 0.00 0.00 60.37 60.26 2q4y h HIS 56 Cb 0.19 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2q4y h HIS 56 CO -0.23 0.95 0.03 -0.07 -0.00 0.00 0.00 177.93 178.61 2q4y h LEU 57 N 0.40 0.33 -0.26 2.43 3.38 -0.70 -1.25 115.31 119.64 2q4y h LEU 57 Ca 0.01 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2q4y h LEU 57 Cb 1.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2q4y h LEU 57 CO 0.10 0.51 0.11 0.00 0.09 0.00 0.00 178.44 179.26 2q4y h VAL 59 N 0.25 1.01 -0.30 0.00 2.07 -1.11 0.08 116.25 118.25 2q4y h VAL 59 Ca 0.11 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2q4y h VAL 59 Cb 0.05 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2q4y h VAL 59 CO -0.09 0.12 0.19 0.00 0.02 0.00 0.00 177.57 177.82 2q4y h ALA 60 N 1.64 0.38 -0.73 1.67 0.00 -0.38 -0.90 119.26 120.93 2q4y h ALA 60 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2q4y h ALA 60 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2q4y h ALA 60 CO -0.09 -0.15 0.42 0.00 0.00 0.00 0.00 179.25 179.43 2q4y h ALA 61 N 1.10 0.94 -0.76 0.00 0.00 0.15 -2.14 119.26 118.55 2q4y h ALA 61 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2q4y h ALA 61 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2q4y h ALA 61 CO -0.02 0.43 0.30 0.74 0.00 0.00 0.00 179.25 180.69 2q4y h PHE 62 N 1.01 1.15 0.02 0.00 -1.00 -0.77 -0.49 116.94 116.85 2q4y h PHE 62 Ca 0.26 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 2q4y h PHE 62 Cb 0.01 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.22 2q4y h PHE 62 CO -0.01 0.87 -0.01 0.93 -1.61 0.00 0.00 178.31 178.49 2q4y h GLU 63 N 1.10 -0.02 -0.09 1.51 4.39 -0.90 0.64 114.58 121.21 2q4y h GLU 63 Ca 0.25 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.00 2q4y h GLU 63 Cb 0.21 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 2q4y h GLU 63 CO -0.02 0.22 -0.27 1.25 -1.16 0.00 0.00 179.01 179.02 2q4y h HIS 64 N -0.26 -0.74 0.39 4.33 2.76 -1.26 0.70 115.15 121.07 2q4y h HIS 64 Ca -0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2q4y h HIS 64 Cb 0.25 0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 2q4y h HIS 64 CO 0.00 -0.36 -0.48 0.00 -1.30 0.00 0.00 177.93 175.80 2q4y h ALA 65 N 0.50 -1.03 0.36 5.26 0.00 -0.65 -2.63 119.26 121.07 2q4y h ALA 65 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2q4y h ALA 65 Cb 0.50 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2q4y h ALA 65 CO -0.30 -1.12 -0.41 1.03 0.00 0.00 0.00 179.25 178.44 2q4y h SER 66 N -0.90 -1.15 -0.93 0.00 0.87 0.57 0.14 113.55 112.14 2q4y h SER 66 Ca -0.04 0.10 0.27 0.00 -1.23 0.00 0.00 61.79 60.88 2q4y h SER 66 Cb 0.81 0.39 -0.14 0.00 -0.44 0.00 0.00 62.40 63.02 2q4y h SER 66 CO -0.11 -0.52 0.38 0.77 -0.53 0.00 0.00 176.83 176.81 2q4y h SER 67 N -0.78 0.23 0.20 6.23 4.64 -0.93 0.66 113.55 123.81 2q4y h SER 67 Ca -0.04 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2q4y h SER 67 Cb 0.69 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2q4y h SER 67 CO -0.08 -0.13 0.00 1.41 -0.87 0.00 0.00 176.83 177.16 2q4y n HIS 68 N -5.14 0.00 -3.00 4.77 8.25 -0.55 -4.90 115.22 114.65 2q4y n HIS 68 Ca 0.25 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.50 2q4y n HIS 68 Cb 0.80 -0.11 0.04 0.00 1.12 0.00 0.00 29.99 31.83 2q4y n HIS 68 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2q4y n SER 69 N -1.11 -5.95 -4.73 0.41 7.64 0.23 -4.99 113.62 105.11 2q4y n SER 69 Ca 0.18 -0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.47 2q4y n SER 69 Cb 0.14 -4.76 -0.07 0.00 -1.01 0.00 0.00 64.21 58.52 2q4y n SER 69 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2q4y s ILE 70 N -3.16 4.29 0.37 0.44 1.01 -0.61 -5.02 121.20 118.51 2q4y s ILE 70 Ca 0.30 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2q4y s ILE 70 Cb -0.13 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2q4y s ILE 70 CO 0.37 0.12 0.53 -0.94 0.00 0.00 0.00 174.94 175.02 2q4y s SER 71 N -2.37 5.96 0.17 3.58 1.04 -0.88 -4.18 113.70 117.02 2q4y s SER 71 Ca 0.28 0.01 0.11 0.00 0.48 0.00 0.00 55.95 56.82 2q4y s SER 71 Cb -0.12 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 2q4y s SER 71 CO 0.20 -0.49 -0.24 -0.63 0.98 0.00 0.00 173.24 173.06 2q4y s ILE 72 N -2.29 2.24 -0.18 -1.02 1.01 -0.81 -0.71 121.20 119.43 2q4y s ILE 72 Ca 0.45 -1.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.14 2q4y s ILE 72 Cb -0.10 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2q4y s ILE 72 CO 0.33 -0.08 -0.04 -0.63 0.00 0.00 0.00 174.94 174.52 2q4y s ILE 73 N -1.53 3.69 -1.10 2.92 1.01 0.48 -1.97 121.20 124.70 2q4y s ILE 73 Ca 0.18 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2q4y s ILE 73 Cb -0.08 -2.64 0.15 0.00 0.01 0.00 0.00 42.46 39.89 2q4y s ILE 73 CO 0.08 0.45 2.37 -0.81 0.00 0.00 0.00 174.94 177.03 2q4y n PRO 74 N 4.10 4.25 -0.15 2.79 -0.04 -1.26 0.17 135.00 144.86 2q4y n PRO 74 Ca -0.18 -3.43 -0.07 0.00 -0.04 0.00 0.00 63.50 59.78 2q4y n PRO 74 Cb 0.52 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 2q4y n PRO 74 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2q4y h SER 75 N 4.18 -1.17 -2.72 3.54 0.02 -1.60 -3.36 113.55 112.44 2q4y h SER 75 Ca 0.62 0.21 -0.56 0.00 -0.84 0.00 0.00 61.79 61.21 2q4y h SER 75 Cb 0.37 0.55 0.07 0.00 0.14 0.00 0.00 62.40 63.54 2q4y h SER 75 CO 1.32 -0.32 0.80 0.00 -1.14 0.00 0.00 176.83 177.48 2q4y h SER 77 N 5.24 0.00 0.63 0.00 0.02 -1.91 -0.79 113.55 116.74 2q4y h SER 77 Ca -0.45 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 2q4y h SER 77 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2q4y h SER 77 CO 0.83 0.01 -0.41 0.22 -1.14 0.00 0.00 176.83 176.35 2q4y h TYR 78 N 0.00 0.00 0.00 3.45 3.20 -1.92 -2.83 116.97 118.87 2q4y h TYR 78 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2q4y h TYR 78 Cb 0.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2q4y h TYR 78 CO 0.00 0.41 -0.14 0.28 -1.64 0.00 0.00 178.16 177.07 2q4y h VAL 79 N 0.00 0.15 0.04 1.81 2.07 -1.44 0.21 116.25 119.09 2q4y h VAL 79 Ca -0.00 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 2q4y h VAL 79 Cb 0.83 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2q4y h VAL 79 CO 0.05 0.05 -0.02 0.77 0.02 0.00 0.00 177.57 178.45 2q4y h SER 80 N -1.00 -0.05 1.86 0.57 4.64 -1.70 2.52 113.55 120.40 2q4y h SER 80 Ca -0.01 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2q4y h SER 80 Cb 0.22 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2q4y h SER 80 CO -0.01 0.15 -0.14 0.44 -0.87 0.00 0.00 176.83 176.40 2q4y h ASP 81 N -0.24 0.00 0.00 4.97 3.32 -1.67 -3.36 116.42 119.44 2q4y h ASP 81 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2q4y h ASP 81 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2q4y h ASP 81 CO 0.01 0.01 -0.72 0.41 -1.72 0.00 0.00 179.24 177.23 2q4y n THR 82 N -3.05 0.00 0.01 0.35 -1.04 -0.46 -4.82 114.28 105.27 2q4y n THR 82 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 2q4y n THR 82 Cb 0.54 -1.20 -0.09 0.00 -1.82 0.00 0.00 70.33 67.75 2q4y n THR 82 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2q4y h PHE 83 N 0.00 -0.05 -0.83 -1.42 3.57 -0.22 -3.15 116.94 114.83 2q4y h PHE 83 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2q4y h PHE 83 Cb 0.72 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2q4y h PHE 83 CO 0.00 0.37 0.55 -0.07 -2.23 0.00 0.00 178.31 176.93 2q4y h LEU 84 N -0.48 0.96 -0.35 0.59 3.38 0.42 -0.25 115.31 119.58 2q4y h LEU 84 Ca -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2q4y h LEU 84 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2q4y h LEU 84 CO 0.01 0.69 0.09 -0.65 0.09 0.00 0.00 178.44 178.67 2q4y h PRO 85 N 1.13 0.56 -0.00 1.13 0.11 -1.71 -1.40 132.00 131.82 2q4y h PRO 85 Ca 0.30 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2q4y h PRO 85 Cb -0.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 30.91 2q4y h PRO 85 CO -0.07 0.61 -0.04 2.89 -0.21 0.00 0.00 178.00 181.19 2q4y n ARG 86 N -4.61 0.50 -3.11 1.05 1.85 -1.15 -3.64 116.66 107.55 2q4y n ARG 86 Ca -0.01 -0.07 -0.17 0.00 -1.00 0.00 0.00 57.85 56.61 2q4y n ARG 86 Cb 0.20 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.09 2q4y n ARG 86 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2q4y n ASN 87 N -1.19 0.72 0.27 2.89 3.02 -0.12 -4.98 115.26 115.87 2q4y n ASN 87 Ca 0.14 -3.01 0.11 0.00 -0.03 0.00 0.00 54.58 51.79 2q4y n ASN 87 Cb 0.25 -0.47 0.74 0.00 -0.61 0.00 0.00 39.78 39.69 2q4y n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2q4y h PRO 88 N 2.99 0.00 0.00 3.52 0.13 -1.35 -2.02 132.00 135.28 2q4y h PRO 88 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2q4y h PRO 88 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2q4y h PRO 88 CO 0.48 0.06 0.00 0.45 -0.23 0.00 0.00 178.00 178.76 2q4y n SER 89 N -4.05 0.00 -0.00 1.44 2.88 -1.26 -1.93 113.62 110.69 2q4y n SER 89 Ca -0.03 -0.34 0.10 0.00 -1.33 0.00 0.00 58.87 57.27 2q4y n SER 89 Cb 0.14 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.47 2q4y n SER 89 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2q4y n TRP 90 N -0.86 0.00 0.16 0.66 7.02 -0.76 -4.65 117.44 119.01 2q4y n TRP 90 Ca 0.05 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.70 2q4y n TRP 90 Cb 0.02 -0.22 0.78 0.00 -2.42 0.00 0.00 31.31 29.47 2q4y n TRP 90 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2q4y h LYS 91 N 0.00 0.00 -0.18 -0.99 1.57 -1.57 -2.33 116.57 113.07 2q4y h LYS 91 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2q4y h LYS 91 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2q4y h LYS 91 CO 0.00 0.00 0.13 -1.35 -0.57 0.00 0.00 179.45 177.66 2q4y h PRO 92 N 0.00 0.06 0.00 3.15 0.11 -1.82 -1.35 132.00 132.15 2q4y h PRO 92 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2q4y h PRO 92 Cb 0.60 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2q4y h PRO 92 CO -0.00 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.11 2q4y n LEU 93 N -4.50 0.00 -4.73 2.35 7.99 -0.88 -4.84 117.00 112.40 2q4y n LEU 93 Ca 0.01 0.04 -0.38 0.00 -0.01 0.00 0.00 56.01 55.67 2q4y n LEU 93 Cb 0.22 -0.04 -0.06 0.00 -0.11 0.00 0.00 43.42 43.43 2q4y n LEU 93 CO 0.35 -0.03 0.21 -0.63 -1.51 0.00 0.00 177.39 175.78 2q4y s ILE 94 N -2.08 5.15 -2.03 -0.08 -1.09 -0.51 -1.92 121.20 118.64 2q4y s ILE 94 Ca 0.18 1.04 0.16 0.00 -2.23 0.00 0.00 60.65 59.80 2q4y s ILE 94 Cb 0.09 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 37.24 2q4y s ILE 94 CO 0.15 0.33 1.01 1.57 -1.23 0.00 0.00 174.94 176.77