#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 0.00 -3.68 0.52 -0.02 -1.26 -5.17 135.00 125.39 2q4y n PRO 6 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2q4y n PRO 6 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 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 2.27 0.12 0.01 -0.52 2.20 -1.26 -5.18 119.74 117.37 2q4y s LYS 7 Ca 0.00 0.64 0.08 0.00 -0.36 0.00 0.00 55.97 56.33 2q4y s LYS 7 Cb 0.00 -0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.17 2q4y s LYS 7 CO 0.00 -0.26 -0.24 0.42 -0.36 0.00 0.00 175.35 174.90 2q4y s ILE 8 N 2.12 1.93 0.24 5.43 1.01 -1.26 -3.74 121.20 126.93 2q4y s ILE 8 Ca -0.01 -1.16 0.06 0.00 0.00 0.00 0.00 60.65 59.55 2q4y s ILE 8 Cb -0.12 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 2q4y s ILE 8 CO -0.08 0.44 -0.08 0.68 0.00 0.00 0.00 174.94 175.90 2q4y s VAL 9 N -0.67 1.56 -0.32 2.92 -7.23 -0.92 -4.93 120.40 110.82 2q4y s VAL 9 Ca 0.10 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 2q4y s VAL 9 Cb -0.09 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2q4y s VAL 9 CO 0.00 -0.42 0.30 0.86 -0.31 0.00 0.00 175.10 175.54 2q4y s TRP 10 N -3.08 3.22 -1.02 2.82 -0.00 -1.26 -1.28 118.94 118.34 2q4y s TRP 10 Ca 0.26 0.03 -0.08 0.00 -0.00 0.00 0.00 56.10 56.31 2q4y s TRP 10 Cb 0.03 -2.55 0.26 0.00 -0.00 0.00 0.00 33.47 31.20 2q4y s TRP 10 CO 0.09 -0.33 0.99 1.21 -0.00 0.00 0.00 176.95 178.91 2q4y s ASN 11 N 1.72 6.93 0.31 5.86 3.84 0.11 -4.91 114.94 128.81 2q4y s ASN 11 Ca 0.10 -3.50 -0.01 0.00 0.21 0.00 0.00 52.86 49.65 2q4y s ASN 11 Cb -0.17 -2.14 0.48 0.00 -0.55 0.00 0.00 41.25 38.88 2q4y s ASN 11 CO 0.11 -0.30 1.98 -0.33 -2.79 0.00 0.00 177.10 175.77 2q4y h GLU 12 N 6.66 1.03 -0.00 0.43 5.08 -1.94 0.36 114.58 126.20 2q4y h GLU 12 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2q4y h GLU 12 Cb 0.88 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2q4y h GLU 12 CO 0.94 0.68 -0.05 0.41 -1.00 0.00 0.00 179.01 180.00 2q4y n GLY 13 N -1.42 -1.33 0.24 -3.84 0.00 -1.26 -2.05 105.19 95.53 2q4y n GLY 13 Ca 0.09 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2q4y n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4y n LYS 14 N -1.35 1.83 -2.58 1.61 5.02 -0.13 -4.99 118.16 117.57 2q4y n LYS 14 Ca 0.11 -0.53 -0.08 0.00 -2.02 0.00 0.00 58.31 55.79 2q4y n LYS 14 Cb 0.29 -1.24 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.55 -2.31 -3.57 1.97 1.74 0.11 -4.87 116.66 109.18 2q4y n ARG 15 Ca 0.05 0.45 -0.08 0.00 -0.77 0.00 0.00 57.85 57.51 2q4y n ARG 15 Cb 0.30 -4.02 -0.02 0.00 -1.02 0.00 0.00 32.46 27.70 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 -4.21 1.02 0.03 5.56 1.70 -0.72 -1.94 118.95 120.39 2q4y s ARG 16 Ca 0.12 -0.44 0.02 0.00 -0.47 0.00 0.00 55.73 54.96 2q4y s ARG 16 Cb -0.02 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2q4y s ARG 16 CO 0.39 -0.45 0.03 -0.06 -1.08 0.00 0.00 175.30 174.12 2q4y s PHE 17 N -3.28 3.12 0.15 5.89 0.40 -0.82 0.08 117.98 123.52 2q4y s PHE 17 Ca 0.06 0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.30 2q4y s PHE 17 Cb -0.01 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.91 2q4y s PHE 17 CO -0.06 0.49 0.46 -1.83 0.70 0.00 0.00 175.22 174.98 2q4y s GLU 18 N -1.92 1.20 0.27 0.44 -1.05 -0.41 -0.99 118.70 116.24 2q4y s GLU 18 Ca 0.23 -0.76 -0.30 0.00 -0.15 0.00 0.00 54.97 54.00 2q4y s GLU 18 Cb -0.12 0.49 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 2q4y s GLU 18 CO 0.15 -0.49 1.36 0.95 0.95 0.00 0.00 175.26 178.18 2q4y s THR 19 N -3.83 2.81 0.59 1.83 -4.23 0.25 -2.16 115.64 110.90 2q4y s THR 19 Ca 0.06 0.72 0.31 0.00 -1.18 0.00 0.00 61.69 61.60 2q4y s THR 19 Cb 0.01 -3.46 0.46 0.00 1.34 0.00 0.00 72.50 70.84 2q4y s THR 19 CO -0.08 0.14 1.33 -0.62 -0.54 0.00 0.00 174.62 174.84 2q4y n GLU 20 N 1.83 0.01 -0.01 3.99 1.02 -1.25 0.17 120.64 126.40 2q4y n GLU 20 Ca 0.04 1.02 0.14 0.00 -0.02 0.00 0.00 57.16 58.34 2q4y n GLU 20 Cb 0.41 -2.49 0.72 0.00 -0.02 0.00 0.00 31.44 30.06 2q4y n GLU 20 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2q4y n ASP 21 N -3.35 0.68 0.00 1.62 5.68 -1.26 -4.92 116.55 115.00 2q4y n ASP 21 Ca 0.27 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 2q4y n ASP 21 Cb 1.62 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 41.59 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 -0.45 0.00 0.06 2.11 8.25 0.44 -4.89 115.22 120.74 2q4y n HIS 22 Ca 0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 2q4y n HIS 22 Cb 0.21 -0.62 -0.13 0.00 1.12 0.00 0.00 29.99 30.58 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 1.48 0.06 -5.75 -0.41 5.08 -1.92 -3.45 114.58 109.68 2q4y h GLU 23 Ca 0.00 -0.10 -0.66 0.00 -1.00 0.00 0.00 59.36 57.60 2q4y h GLU 23 Cb 0.00 0.04 -0.19 0.00 0.50 0.00 0.00 28.75 29.10 2q4y h GLU 23 CO 0.00 0.99 -0.66 0.00 -1.00 0.00 0.00 179.01 178.35 2q4y s ALA 24 N -2.68 3.10 0.05 3.43 0.00 -1.25 -4.29 121.76 120.12 2q4y s ALA 24 Ca -0.01 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.85 2q4y s ALA 24 Cb 0.09 -1.45 0.07 0.00 0.00 0.00 0.00 23.12 21.83 2q4y s ALA 24 CO 0.83 0.43 0.67 -0.59 0.00 0.00 0.00 175.76 177.10 2q4y s PHE 25 N -0.36 -0.57 -0.14 0.00 -0.12 0.20 0.86 117.98 117.85 2q4y s PHE 25 Ca 0.06 0.66 0.02 0.00 -0.05 0.00 0.00 56.93 57.62 2q4y s PHE 25 Cb -0.12 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.77 2q4y s PHE 25 CO 0.02 -0.71 -0.20 -1.50 -0.05 0.00 0.00 175.22 172.78 2q4y s ILE 26 N -2.56 2.27 -0.04 -4.49 2.07 -0.16 0.22 121.20 118.51 2q4y s ILE 26 Ca -0.04 -0.91 -0.03 0.00 -1.41 0.00 0.00 60.65 58.26 2q4y s ILE 26 Cb -0.01 -1.92 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 2q4y s ILE 26 CO -0.03 0.54 0.15 -1.83 -1.91 0.00 0.00 174.94 171.86 2q4y s GLU 27 N 0.78 3.37 0.29 3.50 -1.05 0.92 -1.94 118.70 124.58 2q4y s GLU 27 Ca -0.07 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.47 2q4y s GLU 27 Cb -0.16 -3.08 -0.05 0.00 -0.44 0.00 0.00 34.13 30.41 2q4y s GLU 27 CO -0.01 0.70 0.11 1.52 0.95 0.00 0.00 175.26 178.53 2q4y s TYR 28 N -1.23 1.64 -0.10 4.83 -0.85 -0.82 -1.31 117.35 119.52 2q4y s TYR 28 Ca 0.23 -1.20 -0.02 0.00 -0.52 0.00 0.00 57.07 55.57 2q4y s TYR 28 Cb -0.12 -0.97 0.03 0.00 0.38 0.00 0.00 41.96 41.28 2q4y s TYR 28 CO 0.14 -0.32 0.00 0.21 -1.52 0.00 0.00 175.55 174.07 2q4y s LYS 29 N -3.94 0.68 0.57 -3.49 2.20 0.12 -4.86 119.74 111.02 2q4y s LYS 29 Ca 0.36 -0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.76 2q4y s LYS 29 Cb 0.07 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.08 2q4y s LYS 29 CO 0.15 -0.38 1.08 -1.64 -0.36 0.00 0.00 175.35 174.20 2q4y s MET 30 N 1.93 3.32 0.23 4.03 -1.94 -1.26 0.26 119.30 125.87 2q4y s MET 30 Ca 0.04 1.38 -0.13 0.00 -1.71 0.00 0.00 55.69 55.26 2q4y s MET 30 Cb -0.13 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.69 2q4y s MET 30 CO -0.06 -0.83 0.47 1.03 -0.01 0.00 0.00 175.02 175.62 2q4y s ARG 31 N -3.70 1.47 -1.34 2.03 0.52 0.18 -4.86 118.95 113.25 2q4y s ARG 31 Ca 0.67 -1.16 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 2q4y s ARG 31 Cb -0.19 0.47 0.02 0.00 0.52 0.00 0.00 34.95 35.77 2q4y s ARG 31 CO 0.32 -0.61 1.06 -1.71 0.02 0.00 0.00 175.30 174.38 2q4y n ASN 32 N -0.35 -4.43 -3.63 0.23 5.15 -1.26 -1.36 115.26 109.60 2q4y n ASN 32 Ca -0.04 -0.63 -0.29 0.00 -0.60 0.00 0.00 54.58 53.03 2q4y n ASN 32 Cb 0.62 -4.79 0.04 0.00 -0.53 0.00 0.00 39.78 35.12 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 -3.03 -5.52 0.00 1.20 5.03 -1.26 -1.86 115.26 109.82 2q4y n ASN 33 Ca -0.10 -0.94 0.00 0.00 0.87 0.00 0.00 54.58 54.41 2q4y n ASN 33 Cb 0.60 -3.45 0.00 0.00 -1.02 0.00 0.00 39.78 35.91 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 -1.67 1.71 0.01 7.41 0.00 -1.18 -4.86 105.19 106.62 2q4y n GLY 34 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 -4.21 1.61 5.02 -0.77 -4.86 118.16 112.99 2q4y n LYS 35 Ca 0.00 -0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 2q4y n LYS 35 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 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 -2.97 0.59 -0.17 -0.18 1.01 -0.47 -2.68 120.40 115.53 2q4y s VAL 36 Ca 0.12 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2q4y s VAL 36 Cb 0.18 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 36.04 2q4y s VAL 36 CO 0.70 0.02 -0.17 -0.32 0.00 0.00 0.00 175.10 175.33 2q4y s MET 37 N -0.55 2.71 -0.36 2.72 1.75 -0.78 -0.65 119.30 124.14 2q4y s MET 37 Ca -0.00 -0.75 -0.18 0.00 -1.25 0.00 0.00 55.69 53.51 2q4y s MET 37 Cb -0.05 -2.41 -0.00 0.00 2.84 0.00 0.00 34.83 35.21 2q4y s MET 37 CO 0.00 -0.23 0.51 0.34 -0.65 0.00 0.00 175.02 174.99 2q4y s ASP 38 N 1.36 6.31 -0.76 1.11 -1.08 0.14 -1.11 116.67 122.63 2q4y s ASP 38 Ca 0.04 -0.07 -0.23 0.00 -0.52 0.00 0.00 52.55 51.78 2q4y s ASP 38 Cb -0.13 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.13 2q4y s ASP 38 CO -0.12 -0.49 1.10 -0.76 0.52 0.00 0.00 175.17 175.42 2q4y s LEU 39 N 2.39 4.18 -0.03 -1.34 1.43 0.12 0.16 118.68 125.59 2q4y s LEU 39 Ca 0.18 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 2q4y s LEU 39 Cb -0.15 -2.46 -0.26 0.00 0.03 0.00 0.00 46.19 43.35 2q4y s LEU 39 CO 0.13 -1.46 0.71 -0.37 0.23 0.00 0.00 176.35 175.60 2q4y h VAL 40 N 6.04 0.98 -2.67 -1.59 -1.51 -1.48 0.60 116.25 116.62 2q4y h VAL 40 Ca -0.16 -2.68 -0.09 0.00 -1.23 0.00 0.00 66.70 62.53 2q4y h VAL 40 Cb 1.05 2.64 -0.19 0.00 -2.13 0.00 0.00 31.29 32.66 2q4y h VAL 40 CO 1.21 0.77 -0.09 -2.28 -1.23 0.00 0.00 177.57 175.96 2q4y s HIS 41 N -2.60 -0.36 0.07 5.19 5.65 -1.08 -3.00 115.29 119.16 2q4y s HIS 41 Ca -0.11 0.56 0.08 0.00 0.25 0.00 0.00 55.06 55.84 2q4y s HIS 41 Cb 0.07 0.23 -0.03 0.00 -1.18 0.00 0.00 32.58 31.67 2q4y s HIS 41 CO 0.83 -0.49 -0.21 0.99 -0.65 0.00 0.00 174.74 175.21 2q4y s THR 42 N -1.44 1.69 -0.06 0.89 2.01 -1.26 -0.05 115.64 117.41 2q4y s THR 42 Ca -0.12 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.53 2q4y s THR 42 Cb -0.03 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 71.02 2q4y s THR 42 CO 0.05 0.11 0.05 -0.47 -0.69 0.00 0.00 174.62 173.67 2q4y s TYR 43 N -0.93 0.22 -0.11 4.92 5.04 0.59 -4.95 117.35 122.12 2q4y s TYR 43 Ca 0.07 0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.83 2q4y s TYR 43 Cb -0.09 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.64 2q4y s TYR 43 CO 0.03 -0.26 -0.22 0.08 -1.34 0.00 0.00 175.55 173.84 2q4y s VAL 44 N 2.12 1.96 0.63 3.14 1.01 -1.26 0.61 120.40 128.61 2q4y s VAL 44 Ca 0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2q4y s VAL 44 Cb -0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2q4y s VAL 44 CO -0.04 0.54 1.04 -2.16 0.00 0.00 0.00 175.10 174.47 2q4y s PRO 45 N 0.55 3.38 0.00 2.72 0.04 -1.26 -4.88 135.00 135.54 2q4y s PRO 45 Ca -0.14 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2q4y s PRO 45 Cb -0.17 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2q4y s PRO 45 CO 0.05 -0.75 0.06 0.45 0.04 0.00 0.00 177.00 176.85 2q4y n SER 46 N -2.67 0.00 -0.20 6.66 2.88 -1.26 -1.54 113.62 117.49 2q4y n SER 46 Ca 0.07 0.06 0.20 0.00 -1.33 0.00 0.00 58.87 57.87 2q4y n SER 46 Cb 0.54 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.30 2q4y n SER 46 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2q4y n PHE 47 N -0.16 0.00 1.26 0.66 -1.74 -1.26 0.15 117.46 116.37 2q4y n PHE 47 Ca 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.02 2q4y n PHE 47 Cb 0.00 -0.19 0.38 0.00 1.52 0.00 0.00 39.48 41.19 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 -2.59 1.89 -2.42 3.97 5.02 -0.59 -5.00 118.16 118.44 2q4y n LYS 48 Ca 0.17 -1.30 -0.38 0.00 -2.02 0.00 0.00 58.31 54.77 2q4y n LYS 48 Cb 0.96 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.93 4.28 0.00 1.97 0.52 0.39 -4.00 118.95 120.19 2q4y s ARG 49 Ca 0.35 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 2q4y s ARG 49 Cb 0.20 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.86 2q4y s ARG 49 CO 0.31 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.95 2q4y n GLY 50 N 0.73 1.45 1.85 -3.53 0.00 -1.26 -4.92 105.19 99.51 2q4y n GLY 50 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 5.56 0.00 0.99 4.77 -1.26 -4.92 117.00 122.15 2q4y n LEU 51 Ca 0.00 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 2q4y n LEU 51 Cb 0.00 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2q4y n LEU 51 CO 0.00 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2q4y n GLY 52 N -0.20 2.01 0.31 -0.72 0.00 -1.26 -4.87 105.19 100.46 2q4y n GLY 52 Ca 0.37 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.48 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 0.45 -1.36 0.99 5.85 -1.91 -1.04 115.31 118.29 2q4y h LEU 53 Ca 0.00 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2q4y h LEU 53 Cb 0.00 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2q4y h LEU 53 CO 0.00 0.14 0.44 0.00 -0.34 0.00 0.00 178.44 178.68 2q4y h ALA 54 N 1.61 1.56 -0.25 1.25 0.00 -1.92 -0.81 119.26 120.70 2q4y h ALA 54 Ca 0.49 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 2q4y h ALA 54 Cb 0.80 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2q4y h ALA 54 CO -0.42 0.39 -0.29 1.03 0.00 0.00 0.00 179.25 179.96 2q4y h SER 55 N 0.87 0.69 -0.66 0.00 0.87 -1.71 -1.79 113.55 111.81 2q4y h SER 55 Ca 0.25 -0.49 0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2q4y h SER 55 Cb -0.04 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 61.66 2q4y h SER 55 CO -0.06 1.04 0.32 0.45 -0.53 0.00 0.00 176.83 178.05 2q4y h HIS 56 N 0.35 0.58 -0.44 2.24 -0.00 -0.25 2.40 115.15 120.03 2q4y h HIS 56 Ca 0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2q4y h HIS 56 Cb 0.86 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 2q4y h HIS 56 CO 0.08 0.22 0.15 -0.07 -0.00 0.00 0.00 177.93 178.31 2q4y h LEU 57 N 0.57 0.62 -0.34 2.43 3.38 -0.96 0.91 115.31 121.92 2q4y h LEU 57 Ca 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2q4y h LEU 57 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2q4y h LEU 57 CO -0.25 0.64 0.18 0.00 0.09 0.00 0.00 178.44 179.10 2q4y h VAL 59 N 0.42 0.36 0.13 0.00 2.07 0.46 -0.66 116.25 119.03 2q4y h VAL 59 Ca 0.12 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.36 2q4y h VAL 59 Cb 0.07 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2q4y h VAL 59 CO -0.02 0.00 -1.26 0.00 0.02 0.00 0.00 177.57 176.31 2q4y h ALA 60 N 1.91 0.09 -0.01 1.67 0.00 0.39 -2.80 119.26 120.50 2q4y h ALA 60 Ca 0.02 -0.89 -0.26 0.00 0.00 0.00 0.00 54.91 53.78 2q4y h ALA 60 Cb 0.16 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2q4y h ALA 60 CO -0.00 0.97 -1.01 0.00 0.00 0.00 0.00 179.25 179.20 2q4y h ALA 61 N 0.56 0.18 -0.17 0.00 0.00 -0.32 -3.16 119.26 116.35 2q4y h ALA 61 Ca -0.14 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 2q4y h ALA 61 Cb 1.98 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2q4y h ALA 61 CO 0.21 0.71 0.09 0.74 0.00 0.00 0.00 179.25 180.99 2q4y h PHE 62 N 0.38 0.23 -0.82 0.00 -1.00 -1.30 0.37 116.94 114.80 2q4y h PHE 62 Ca -0.12 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2q4y h PHE 62 Cb 1.66 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 41.11 2q4y h PHE 62 CO 0.09 0.23 0.53 0.93 -1.61 0.00 0.00 178.31 178.49 2q4y h GLU 63 N 0.17 1.09 0.22 1.51 4.39 -1.59 -0.94 114.58 119.44 2q4y h GLU 63 Ca 0.06 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2q4y h GLU 63 Cb 0.07 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2q4y h GLU 63 CO -0.01 0.74 -0.11 1.25 -1.16 0.00 0.00 179.01 179.72 2q4y h HIS 64 N 1.12 -0.27 -0.02 4.33 -0.00 -1.48 -0.09 115.15 118.73 2q4y h HIS 64 Ca 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 2q4y h HIS 64 Cb -0.11 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2q4y h HIS 64 CO -0.01 -0.11 0.01 0.00 -0.00 0.00 0.00 177.93 177.82 2q4y h ALA 65 N 0.39 0.03 -0.54 5.26 0.00 -0.90 -2.34 119.26 121.17 2q4y h ALA 65 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2q4y h ALA 65 Cb 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2q4y h ALA 65 CO 0.05 -0.46 0.19 1.03 0.00 0.00 0.00 179.25 180.06 2q4y h SER 66 N 0.01 0.20 0.12 0.00 0.87 -1.21 -1.30 113.55 112.24 2q4y h SER 66 Ca 0.01 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2q4y h SER 66 Cb 0.02 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2q4y h SER 66 CO -0.00 0.13 0.00 -1.54 -0.53 0.00 0.00 176.83 174.89 2q4y n SER 67 N -5.00 0.00 0.00 6.23 3.41 -0.05 -3.38 113.62 114.84 2q4y n SER 67 Ca 0.06 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2q4y n SER 67 Cb 0.22 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2q4y n SER 67 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2q4y n HIS 68 N -1.12 0.00 -3.39 7.33 8.25 -0.55 -5.02 115.22 120.72 2q4y n HIS 68 Ca 0.10 -0.31 -0.19 0.00 -0.26 0.00 0.00 57.72 57.06 2q4y n HIS 68 Cb 0.08 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.31 -4.94 -4.30 0.41 7.64 -0.85 -5.01 113.62 106.26 2q4y n SER 69 Ca 0.00 -0.48 -0.33 0.00 1.01 0.00 0.00 58.87 59.07 2q4y n SER 69 Cb 0.24 -4.41 -0.15 0.00 -1.01 0.00 0.00 64.21 58.88 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 -3.28 2.82 0.65 0.44 1.01 -0.94 -4.95 121.20 116.96 2q4y s ILE 70 Ca 0.39 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2q4y s ILE 70 Cb -0.17 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.12 2q4y s ILE 70 CO 0.63 0.51 1.01 -0.94 0.00 0.00 0.00 174.94 176.15 2q4y s SER 71 N 0.67 5.54 -0.06 3.58 1.04 -1.09 -4.22 113.70 119.15 2q4y s SER 71 Ca -0.07 0.97 0.02 0.00 0.48 0.00 0.00 55.95 57.35 2q4y s SER 71 Cb -0.16 -1.86 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 2q4y s SER 71 CO 0.02 -1.20 -0.11 -0.63 0.98 0.00 0.00 173.24 172.30 2q4y s ILE 72 N -3.20 3.36 -0.28 -1.02 1.01 0.25 -1.86 121.20 119.46 2q4y s ILE 72 Ca 0.56 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 2q4y s ILE 72 Cb -0.11 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2q4y s ILE 72 CO 0.49 0.59 0.21 -0.63 0.00 0.00 0.00 174.94 175.60 2q4y s ILE 73 N -0.73 5.30 -1.21 2.92 1.01 -0.27 -1.68 121.20 126.53 2q4y s ILE 73 Ca 0.11 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.88 2q4y s ILE 73 Cb -0.11 -3.55 0.21 0.00 0.01 0.00 0.00 42.46 39.02 2q4y s ILE 73 CO 0.01 0.23 1.81 -0.81 0.00 0.00 0.00 174.94 176.18 2q4y n PRO 74 N 5.09 4.08 0.15 2.79 -0.04 -1.26 0.14 135.00 145.95 2q4y n PRO 74 Ca -0.13 -3.89 -0.06 0.00 -0.04 0.00 0.00 63.50 59.38 2q4y n PRO 74 Cb 0.52 -2.74 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 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 5.44 -0.33 -0.68 3.54 0.02 -1.76 -3.38 113.55 116.40 2q4y h SER 75 Ca 0.37 0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 60.75 2q4y h SER 75 Cb 0.57 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.21 2q4y h SER 75 CO 1.50 -0.17 0.37 0.00 -1.14 0.00 0.00 176.83 177.39 2q4y n SER 77 N 2.32 0.60 0.13 0.00 7.64 -1.26 -0.72 113.62 122.32 2q4y n SER 77 Ca 0.19 0.70 -0.01 0.00 1.01 0.00 0.00 58.87 60.76 2q4y n SER 77 Cb -0.02 -0.81 0.21 0.00 -1.01 0.00 0.00 64.21 62.59 2q4y n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2q4y h TYR 78 N 0.00 0.12 0.43 1.43 3.20 -1.95 -2.63 116.97 117.56 2q4y h TYR 78 Ca 0.00 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2q4y h TYR 78 Cb 0.19 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2q4y h TYR 78 CO 0.00 0.59 -0.20 0.28 -1.64 0.00 0.00 178.16 177.19 2q4y h VAL 79 N 0.08 0.00 0.00 1.81 2.07 -1.25 0.03 116.25 118.98 2q4y h VAL 79 Ca -0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2q4y h VAL 79 Cb 0.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2q4y h VAL 79 CO 0.07 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.12 2q4y n SER 80 N -4.89 0.00 -0.02 0.57 3.41 -1.19 0.90 113.62 112.40 2q4y n SER 80 Ca -0.07 -0.33 0.03 0.00 -0.26 0.00 0.00 58.87 58.24 2q4y n SER 80 Cb 0.23 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2q4y n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2q4y n ASP 81 N -1.22 2.25 0.03 4.04 9.92 -0.99 -4.58 116.55 126.01 2q4y n ASP 81 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 2q4y n ASP 81 Cb 0.21 1.35 0.00 0.00 -0.64 0.00 0.00 41.12 42.05 2q4y n ASP 81 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2q4y n THR 82 N -2.04 0.19 0.10 -3.53 -1.04 -0.81 -4.69 114.28 102.46 2q4y n THR 82 Ca -0.06 0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2q4y n THR 82 Cb 0.45 -0.99 -0.08 0.00 -1.82 0.00 0.00 70.33 67.89 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 -0.20 -0.47 -1.42 3.57 -1.03 -2.04 116.94 115.35 2q4y h PHE 83 Ca 0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2q4y h PHE 83 Cb 0.32 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2q4y h PHE 83 CO 0.00 0.04 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.94 2q4y h LEU 84 N -0.42 0.92 -2.04 0.59 3.38 0.30 -0.17 115.31 117.87 2q4y h LEU 84 Ca -0.02 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2q4y h LEU 84 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2q4y h LEU 84 CO 0.04 1.07 -0.05 -0.65 0.09 0.00 0.00 178.44 178.94 2q4y h PRO 85 N 0.76 0.00 0.00 1.13 0.11 -1.80 0.42 132.00 132.62 2q4y h PRO 85 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2q4y h PRO 85 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2q4y h PRO 85 CO 0.05 0.05 -1.23 0.54 -0.21 0.00 0.00 178.00 177.20 2q4y n ARG 86 N -3.27 0.28 -3.10 1.05 1.74 -0.77 -4.54 116.66 108.06 2q4y n ARG 86 Ca -0.01 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 2q4y n ARG 86 Cb 0.22 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 2q4y n ARG 86 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2q4y n ASN 87 N -1.88 2.74 0.02 0.55 3.02 0.08 -4.94 115.26 114.85 2q4y n ASN 87 Ca 0.01 -3.34 0.16 0.00 -0.03 0.00 0.00 54.58 51.39 2q4y n ASN 87 Cb 0.43 -0.60 0.63 0.00 -0.61 0.00 0.00 39.78 39.63 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 3.20 0.11 0.00 3.52 0.13 -1.64 0.15 132.00 137.47 2q4y h PRO 88 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2q4y h PRO 88 Cb 0.72 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2q4y h PRO 88 CO 0.68 0.07 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 2q4y n SER 89 N -4.43 0.00 0.06 1.44 3.41 -1.26 0.36 113.62 113.20 2q4y n SER 89 Ca 0.08 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2q4y n SER 89 Cb 0.46 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 64.20 2q4y n SER 89 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2q4y n TRP 90 N -1.39 0.58 -0.30 7.33 5.03 0.52 -4.19 117.44 125.01 2q4y n TRP 90 Ca 0.03 0.17 0.10 0.00 3.03 0.00 0.00 57.50 60.82 2q4y n TRP 90 Cb 0.08 -0.67 0.32 0.00 -1.03 0.00 0.00 31.31 30.01 2q4y n TRP 90 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 2q4y h LYS 91 N 0.00 0.80 0.00 -0.99 1.57 -0.20 0.74 116.57 118.49 2q4y h LYS 91 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2q4y h LYS 91 Cb 0.74 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2q4y h LYS 91 CO 0.00 0.53 0.00 -2.30 -0.57 0.00 0.00 179.45 177.11 2q4y n PRO 92 N -4.57 0.08 0.25 3.15 -0.02 -1.26 -1.41 135.00 131.21 2q4y n PRO 92 Ca 0.17 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 2q4y n PRO 92 Cb 0.40 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.82 2q4y n PRO 92 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2q4y h LEU 93 N 0.00 0.00 -9.48 2.45 7.12 0.21 -3.45 115.31 112.17 2q4y h LEU 93 Ca 0.00 0.00 -0.53 0.00 0.13 0.00 0.00 57.88 57.48 2q4y h LEU 93 Cb 0.05 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.19 2q4y h LEU 93 CO 0.00 0.02 0.81 -0.63 -0.13 0.00 0.00 178.44 178.51 2q4y s ILE 94 N -3.45 3.35 -1.05 4.05 -1.09 -0.50 -0.58 121.20 121.92 2q4y s ILE 94 Ca 0.04 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 2q4y s ILE 94 Cb 0.07 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2q4y s ILE 94 CO 0.61 0.04 0.26 1.57 -1.23 0.00 0.00 174.94 176.19