#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2row n SER 2 N 0.00 -7.91 -3.71 4.31 2.88 -1.26 -5.04 113.62 102.89 2row n SER 2 Ca 0.00 1.74 -0.14 0.00 -1.33 0.00 0.00 58.87 59.15 2row n SER 2 Cb 0.00 -5.14 0.06 0.00 -0.75 0.00 0.00 64.21 58.38 2row n SER 2 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2row n LYS 3 N 1.77 0.40 -2.57 -1.46 2.85 -1.26 -5.12 118.16 112.77 2row n LYS 3 Ca -0.07 -1.82 -0.23 0.00 -1.05 0.00 0.00 58.31 55.14 2row n LYS 3 Cb 0.11 -0.31 0.09 0.00 -0.65 0.00 0.00 35.03 34.27 2row n LYS 3 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2row s LYS 4 N -3.92 1.93 0.20 -1.58 -2.85 -1.26 -5.06 119.74 107.19 2row s LYS 4 Ca 0.40 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 54.11 2row s LYS 4 Cb -0.03 -2.36 -0.08 0.00 -2.06 0.00 0.00 37.83 33.31 2row s LYS 4 CO 0.26 -1.25 1.09 -2.00 0.10 0.00 0.00 175.35 173.55 2row s GLU 5 N -5.05 4.62 0.85 1.78 2.56 -1.26 -5.05 118.70 117.15 2row s GLU 5 Ca 0.64 1.71 -0.14 0.00 0.00 0.00 0.00 54.97 57.18 2row s GLU 5 Cb -0.07 -3.27 0.21 0.00 2.00 0.00 0.00 34.13 33.00 2row s GLU 5 CO 0.43 0.12 0.85 -0.35 -0.56 0.00 0.00 175.26 175.76 2row n PRO 6 N 2.14 -2.11 -3.21 4.30 -0.04 -1.26 -4.97 135.00 129.86 2row n PRO 6 Ca 0.02 -1.35 -0.45 0.00 -0.04 0.00 0.00 63.50 61.68 2row n PRO 6 Cb 0.46 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2row n PRO 6 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2row s GLU 7 N -4.92 4.05 -0.42 0.54 2.56 -1.26 -4.72 118.70 114.53 2row s GLU 7 Ca 0.53 -2.86 -0.17 0.00 0.00 0.00 0.00 54.97 52.48 2row s GLU 7 Cb -0.04 -4.69 0.02 0.00 2.00 0.00 0.00 34.13 31.42 2row s GLU 7 CO 0.40 -1.42 0.55 1.19 -0.56 0.00 0.00 175.26 175.42 2row n PHE 8 N 3.88 -3.44 -0.44 5.30 3.72 -1.26 -5.02 117.46 120.20 2row n PHE 8 Ca 0.26 1.40 0.00 0.00 -0.05 0.00 0.00 57.45 59.06 2row n PHE 8 Cb 0.42 -3.85 0.00 0.00 -0.94 0.00 0.00 39.48 35.11 2row n PHE 8 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2row n PRO 9 N -0.19 -0.41 -3.08 -1.08 -0.04 -1.26 -4.77 135.00 124.17 2row n PRO 9 Ca 0.09 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2row n PRO 9 Cb 0.45 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2row n PRO 9 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2row n VAL 10 N -1.95 -3.15 -3.16 0.52 3.14 -1.26 -4.88 118.33 107.59 2row n VAL 10 Ca 0.00 0.58 -0.45 0.00 -2.96 0.00 0.00 64.34 61.51 2row n VAL 10 Cb 0.00 -3.38 -0.05 0.00 -1.06 0.00 0.00 33.84 29.36 2row n VAL 10 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2row s GLU 11 N -0.73 3.03 1.18 1.45 1.03 -1.26 -5.06 118.70 118.35 2row s GLU 11 Ca -0.02 -1.41 -0.16 0.00 0.03 0.00 0.00 54.97 53.41 2row s GLU 11 Cb 0.00 -4.27 0.28 0.00 -0.80 0.00 0.00 34.13 29.34 2row s GLU 11 CO 0.11 -1.48 1.05 -1.25 -1.33 0.00 0.00 175.26 172.36 2row s PRO 12 N 2.40 -1.06 -0.27 -4.83 0.04 -1.26 -4.88 135.00 125.14 2row s PRO 12 Ca 0.09 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 2row s PRO 12 Cb -0.26 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2row s PRO 12 CO 0.05 -3.69 0.46 0.14 0.04 0.00 0.00 177.00 174.00 2row s VAL 13 N -2.72 5.11 0.00 -0.36 -7.23 -1.26 -4.87 120.40 109.07 2row s VAL 13 Ca 0.68 0.73 0.00 0.00 -1.81 0.00 0.00 61.98 61.59 2row s VAL 13 Cb -0.17 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2row s VAL 13 CO 0.59 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 176.09 2row n GLY 14 N 4.53 -0.12 0.34 2.32 0.00 -1.26 -4.87 105.19 106.13 2row n GLY 14 Ca -0.06 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 2row n GLY 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2row h GLU 15 N 0.00 1.03 -5.29 1.61 4.11 -2.04 -3.34 114.58 110.66 2row h GLU 15 Ca 0.00 -0.11 -0.67 0.00 0.07 0.00 0.00 59.36 58.65 2row h GLU 15 Cb 0.00 -0.21 -0.16 0.00 0.50 0.00 0.00 28.75 28.89 2row h GLU 15 CO 0.00 0.75 1.05 0.15 0.07 0.00 0.00 179.01 181.03 2row s LYS 16 N -5.71 3.63 -0.42 1.06 1.02 -1.26 -4.98 119.74 113.08 2row s LYS 16 Ca -0.11 -1.65 -0.17 0.00 0.02 0.00 0.00 55.97 54.05 2row s LYS 16 Cb 0.17 -5.04 0.02 0.00 -0.52 0.00 0.00 37.83 32.46 2row s LYS 16 CO 0.80 -1.89 0.43 -1.12 -0.92 0.00 0.00 175.35 172.65 2row s SER 17 N 3.93 6.19 1.33 2.83 0.01 -1.26 -5.07 113.70 121.67 2row s SER 17 Ca 0.37 -0.70 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 2row s SER 17 Cb -0.03 -2.22 0.34 0.00 0.21 0.00 0.00 66.02 64.32 2row s SER 17 CO -0.09 -0.57 0.96 0.21 0.41 0.00 0.00 173.24 174.16 2row s ASN 18 N 1.81 -0.38 -0.12 2.44 3.84 -1.26 -4.94 114.94 116.33 2row s ASN 18 Ca 0.11 1.17 -0.01 0.00 0.21 0.00 0.00 52.86 54.34 2row s ASN 18 Cb -0.17 -1.75 0.03 0.00 -0.55 0.00 0.00 41.25 38.81 2row s ASN 18 CO 0.13 -4.99 -0.02 -0.31 -2.79 0.00 0.00 177.10 169.13 2row s TYR 19 N -2.29 1.07 -0.42 0.43 1.51 -1.26 -4.15 117.35 112.23 2row s TYR 19 Ca 0.69 -0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 55.91 2row s TYR 19 Cb -0.19 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 2row s TYR 19 CO 0.62 -0.46 1.37 0.42 -1.11 0.00 0.00 175.55 176.38 2row s ILE 20 N 1.84 3.95 0.11 2.71 1.09 0.30 -4.83 121.20 126.37 2row s ILE 20 Ca 0.03 0.97 -0.30 0.00 -1.10 0.00 0.00 60.65 60.26 2row s ILE 20 Cb -0.14 -4.27 -0.06 0.00 -1.06 0.00 0.00 42.46 36.93 2row s ILE 20 CO -0.07 -0.80 0.95 0.00 -0.10 0.00 0.00 174.94 174.92 2row s HIS 22 N 0.01 -1.08 -0.22 0.00 5.04 0.33 -4.97 115.29 114.40 2row s HIS 22 Ca 0.47 1.20 -0.18 0.00 -1.54 0.00 0.00 55.06 55.00 2row s HIS 22 Cb -0.23 0.40 0.03 0.00 0.04 0.00 0.00 32.58 32.81 2row s HIS 22 CO 0.30 -0.59 0.32 0.36 -2.34 0.00 0.00 174.74 172.79 2row n LYS 23 N 5.43 -0.91 -1.08 2.88 2.85 -1.26 0.12 118.16 126.19 2row n LYS 23 Ca -0.04 0.66 -0.03 0.00 -1.05 0.00 0.00 58.31 57.85 2row n LYS 23 Cb 0.52 -0.95 -0.01 0.00 -0.65 0.00 0.00 35.03 33.94 2row n LYS 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2row n GLY 24 N -0.13 0.37 3.17 2.58 0.00 -1.26 -3.66 105.19 106.26 2row n GLY 24 Ca -0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2row n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2row s HIS 25 N -1.45 2.01 -0.61 1.61 4.02 0.33 -3.16 115.29 118.04 2row s HIS 25 Ca 0.00 -0.63 0.06 0.00 1.02 0.00 0.00 55.06 55.51 2row s HIS 25 Cb 0.00 -1.35 0.24 0.00 -1.02 0.00 0.00 32.58 30.45 2row s HIS 25 CO 0.00 -0.22 0.68 0.39 1.02 0.00 0.00 174.74 176.61 2row n GLU 26 N 3.19 2.16 -0.76 1.40 1.02 -1.24 0.12 120.64 126.53 2row n GLU 26 Ca -0.18 -4.43 -0.31 0.00 -0.02 0.00 0.00 57.16 52.22 2row n GLU 26 Cb 0.53 -2.10 0.16 0.00 -0.02 0.00 0.00 31.44 30.00 2row n GLU 26 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2row s PHE 27 N -2.14 1.73 -0.05 -0.32 0.08 0.09 -3.49 117.98 113.88 2row s PHE 27 Ca 0.37 1.74 0.03 0.00 0.12 0.00 0.00 56.93 59.19 2row s PHE 27 Cb 0.13 -3.30 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 2row s PHE 27 CO -0.05 -2.72 -0.12 0.42 -0.10 0.00 0.00 175.22 172.65 2row s ILE 28 N -2.68 1.09 -0.23 0.64 -1.09 0.39 0.11 121.20 119.44 2row s ILE 28 Ca 0.66 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 58.30 2row s ILE 28 Cb -0.22 -0.98 -0.03 0.00 -1.58 0.00 0.00 42.46 39.65 2row s ILE 28 CO 0.58 0.34 1.62 -2.16 -1.23 0.00 0.00 174.94 174.09 2row s PRO 29 N 0.44 3.77 0.24 2.79 0.04 -1.26 -0.01 135.00 141.01 2row s PRO 29 Ca -0.10 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 2row s PRO 29 Cb -0.13 -4.04 0.01 0.00 0.04 0.00 0.00 34.50 30.38 2row s PRO 29 CO 0.03 -1.32 0.56 -0.08 0.04 0.00 0.00 177.00 176.23 2row s THR 30 N 5.27 0.01 0.22 1.26 -1.32 0.67 -4.72 115.64 117.03 2row s THR 30 Ca 0.72 -1.06 0.08 0.00 -1.21 0.00 0.00 61.69 60.21 2row s THR 30 Cb -0.25 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 2row s THR 30 CO 0.29 -0.04 0.02 -0.76 -2.21 0.00 0.00 174.62 171.92 2row s LEU 31 N -2.94 3.31 -0.17 9.08 1.43 -1.26 -0.28 118.68 127.85 2row s LEU 31 Ca 0.14 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2row s LEU 31 Cb -0.02 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.35 2row s LEU 31 CO 0.04 0.04 0.04 -0.31 0.23 0.00 0.00 176.35 176.40 2row s TYR 32 N -2.00 0.78 -0.81 0.29 2.02 -1.26 -4.85 117.35 111.52 2row s TYR 32 Ca 0.29 -0.64 0.25 0.00 -0.37 0.00 0.00 57.07 56.61 2row s TYR 32 Cb -0.08 -0.92 0.59 0.00 -0.40 0.00 0.00 41.96 41.15 2row s TYR 32 CO 0.20 -0.55 1.50 0.72 -1.57 0.00 0.00 175.55 175.85 2row n HIS 33 N 5.12 0.37 -3.78 2.71 8.25 -1.26 -2.70 115.22 123.92 2row n HIS 33 Ca -0.08 0.11 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 2row n HIS 33 Cb 0.48 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 2row n HIS 33 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2row s PHE 34 N -3.09 2.90 -0.42 4.41 -0.71 -1.26 -4.40 117.98 115.40 2row s PHE 34 Ca 0.09 -0.31 -0.27 0.00 -1.04 0.00 0.00 56.93 55.40 2row s PHE 34 Cb 0.15 -1.83 -0.07 0.00 -1.21 0.00 0.00 43.02 40.06 2row s PHE 34 CO 0.67 0.15 2.37 -2.30 -1.34 0.00 0.00 175.22 174.77 2row n PRO 35 N -1.40 1.27 -5.18 1.99 -0.02 -1.26 -4.60 135.00 125.80 2row n PRO 35 Ca -0.01 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.31 2row n PRO 35 Cb 0.60 -3.32 -0.16 0.00 -0.02 0.00 0.00 33.50 30.61 2row n PRO 35 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2row s THR 36 N 10.96 2.11 -0.00 3.45 2.01 -0.34 -5.02 115.64 128.80 2row s THR 36 Ca 1.00 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 2row s THR 36 Cb -0.27 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2row s THR 36 CO 0.30 0.52 0.16 0.20 -0.69 0.00 0.00 174.62 175.10 2row s ASN 37 N -0.80 6.19 0.02 3.53 0.01 -1.26 0.92 114.94 123.55 2row s ASN 37 Ca 0.11 0.29 -0.09 0.00 -0.71 0.00 0.00 52.86 52.45 2row s ASN 37 Cb -0.10 -1.90 -0.05 0.00 0.41 0.00 0.00 41.25 39.61 2row s ASN 37 CO -0.00 0.26 0.33 0.00 -1.51 0.00 0.00 177.10 176.18 2row h GLU 39 N 4.06 0.34 0.00 0.00 4.39 -1.88 -3.41 114.58 118.07 2row h GLU 39 Ca -0.50 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 58.62 2row h GLU 39 Cb 1.20 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2row h GLU 39 CO 0.65 1.24 0.00 0.00 -1.16 0.00 0.00 179.01 179.74 2row n ALA 40 N -2.67 0.00 -1.19 3.43 0.00 -1.26 -4.86 120.51 113.95 2row n ALA 40 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2row n ALA 40 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2row n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2row n MET 42 N -0.99 0.65 -1.08 0.00 0.00 -1.26 -4.74 117.12 109.69 2row n MET 42 Ca 0.00 0.01 -0.34 0.00 0.00 0.00 0.00 57.70 57.37 2row n MET 42 Cb 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 33.22 31.68 2row n MET 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2row n LYS 43 N -2.63 0.11 0.00 0.03 5.02 -1.26 -4.86 118.16 114.57 2row n LYS 43 Ca -0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2row n LYS 43 Cb 0.81 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2row n LYS 43 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2row n PRO 44 N -1.97 -0.49 -3.15 1.97 -0.04 -1.26 -3.90 135.00 126.16 2row n PRO 44 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2row n PRO 44 Cb 0.51 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2row n PRO 44 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2row s LEU 45 N 0.00 -1.49 0.00 1.53 2.96 0.26 -4.46 118.68 117.48 2row s LEU 45 Ca 0.00 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 2row s LEU 45 Cb 0.00 2.07 0.00 0.00 0.50 0.00 0.00 46.19 48.76 2row s LEU 45 CO 0.00 -0.27 0.00 -2.67 -1.32 0.00 0.00 176.35 172.09 2row n TRP 46 N 5.42 0.00 0.00 5.38 4.27 -1.26 -1.20 117.44 130.05 2row n TRP 46 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 2row n TRP 46 Cb 0.53 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 2row n TRP 46 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 2row n HIS 47 N -0.47 0.00 -0.05 -2.67 -0.00 -1.10 -4.77 115.22 106.16 2row n HIS 47 Ca 0.00 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 2row n HIS 47 Cb 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.74 2row n HIS 47 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2row h MET 48 N 0.00 0.08 0.00 1.57 2.86 -1.87 -3.32 114.93 114.25 2row h MET 48 Ca 0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2row h MET 48 Cb 0.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2row h MET 48 CO 0.00 1.06 0.00 1.19 1.06 0.00 0.00 176.91 180.22 2row n PHE 49 N -4.43 0.00 -3.93 -0.22 3.72 -1.26 -4.66 117.46 106.69 2row n PHE 49 Ca -0.16 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.94 2row n PHE 49 Cb 0.62 -0.34 -0.14 0.00 -0.94 0.00 0.00 39.48 38.68 2row n PHE 49 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2row s LYS 50 N -1.76 1.67 -0.04 -1.08 -0.14 -1.26 -5.09 119.74 112.03 2row s LYS 50 Ca 0.00 -2.23 -0.30 0.00 -1.36 0.00 0.00 55.97 52.09 2row s LYS 50 Cb 0.00 -3.09 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 2row s LYS 50 CO 0.00 -1.05 1.73 -1.25 -0.76 0.00 0.00 175.35 174.01 2row s PRO 51 N 0.27 4.16 0.67 -1.68 0.04 -1.25 -4.81 135.00 132.40 2row s PRO 51 Ca 0.15 2.27 -0.15 0.00 0.04 0.00 0.00 61.00 63.31 2row s PRO 51 Cb -0.23 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.29 2row s PRO 51 CO -0.04 -0.89 1.13 -1.25 0.04 0.00 0.00 177.00 175.99 2row s PRO 52 N 4.16 2.67 -0.70 0.56 0.04 -1.26 -4.85 135.00 135.62 2row s PRO 52 Ca 0.77 1.46 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 2row s PRO 52 Cb -0.35 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 2row s PRO 52 CO 0.32 -1.37 2.19 -1.25 0.04 0.00 0.00 177.00 176.94 2row s PRO 53 N -4.05 2.16 0.38 0.56 0.04 -1.26 -4.54 135.00 128.29 2row s PRO 53 Ca 0.68 0.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 2row s PRO 53 Cb -0.22 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.57 2row s PRO 53 CO 0.42 -3.54 0.65 0.00 0.04 0.00 0.00 177.00 174.58 2row s ALA 54 N 11.86 3.54 -0.29 8.56 0.00 0.61 0.14 121.76 146.19 2row s ALA 54 Ca 0.84 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2row s ALA 54 Cb -0.13 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.67 2row s ALA 54 CO 0.14 -0.07 -0.04 -0.51 0.00 0.00 0.00 175.76 175.28 2row s LEU 55 N -4.22 3.75 -0.14 0.00 1.43 0.74 -0.24 118.68 120.01 2row s LEU 55 Ca 0.45 -1.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 2row s LEU 55 Cb -0.10 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2row s LEU 55 CO 0.37 -0.24 0.25 -0.70 0.23 0.00 0.00 176.35 176.26 2row s GLU 56 N 1.17 4.04 0.15 1.70 2.12 0.98 -0.05 118.70 128.81 2row s GLU 56 Ca -0.06 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 2row s GLU 56 Cb -0.20 -3.35 -0.07 0.00 0.26 0.00 0.00 34.13 30.77 2row s GLU 56 CO -0.03 0.41 1.07 0.00 -0.54 0.00 0.00 175.26 176.17 2row n ARG 58 N 2.62 2.06 0.00 0.00 1.85 -1.23 -3.35 116.66 118.61 2row n ARG 58 Ca 0.03 -2.24 0.00 0.00 -1.00 0.00 0.00 57.85 54.64 2row n ARG 58 Cb 0.47 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 2row n ARG 58 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2row n ARG 59 N -0.64 0.00 0.00 2.89 1.74 -1.26 -4.90 116.66 114.49 2row n ARG 59 Ca 0.43 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.64 2row n ARG 59 Cb 1.34 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 33.29 2row n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2row n HIS 61 N -1.28 -2.31 -3.66 0.00 8.25 -1.21 -5.02 115.22 109.98 2row n HIS 61 Ca 0.10 1.18 -0.10 0.00 -0.26 0.00 0.00 57.72 58.63 2row n HIS 61 Cb 0.31 -2.86 -0.08 0.00 1.12 0.00 0.00 29.99 28.49 2row n HIS 61 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2row s ILE 62 N -0.65 -0.01 0.01 1.59 -4.36 -1.26 -4.88 121.20 111.65 2row s ILE 62 Ca -0.07 0.02 -0.01 0.00 -0.26 0.00 0.00 60.65 60.33 2row s ILE 62 Cb 0.00 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.82 2row s ILE 62 CO 0.43 0.01 0.15 -0.54 0.24 0.00 0.00 174.94 175.23 2row s LYS 63 N 1.08 3.28 -0.27 0.37 3.01 -1.25 0.52 119.74 126.48 2row s LYS 63 Ca -0.06 -0.42 -0.07 0.00 -1.01 0.00 0.00 55.97 54.41 2row s LYS 63 Cb -0.05 -2.99 0.13 0.00 -1.01 0.00 0.00 37.83 33.91 2row s LYS 63 CO -0.10 0.65 0.57 0.00 0.51 0.00 0.00 175.35 176.98 2row n HIS 65 N 5.43 0.31 -0.16 0.00 -0.00 -1.26 -0.19 115.22 119.35 2row n HIS 65 Ca -0.09 0.91 0.26 0.00 -0.00 0.00 0.00 57.72 58.80 2row n HIS 65 Cb 0.50 -1.80 0.69 0.00 -0.00 0.00 0.00 29.99 29.38 2row n HIS 65 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2row h LYS 66 N 2.18 0.05 -0.75 -0.41 3.64 0.97 -0.30 116.57 121.95 2row h LYS 66 Ca -0.39 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2row h LYS 66 Cb 1.25 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 2row h LYS 66 CO 0.55 0.03 0.20 -0.44 -2.27 0.00 0.00 179.45 177.52 2row h ASP 67 N 0.05 0.04 -0.30 4.20 3.32 -1.86 -0.08 116.42 121.79 2row h ASP 67 Ca 0.40 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.66 2row h ASP 67 Cb 1.52 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 41.20 2row h ASP 67 CO -0.03 -0.03 -0.10 0.45 -1.72 0.00 0.00 179.24 177.81 2row h HIS 68 N 0.28 -0.22 -0.03 4.55 3.86 -1.37 0.27 115.15 122.49 2row h HIS 68 Ca 0.43 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.66 2row h HIS 68 Cb 0.74 0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 2row h HIS 68 CO -0.25 -0.16 0.01 1.98 0.86 0.00 0.00 177.93 180.37 2row h MET 69 N -0.03 0.05 -0.14 2.45 1.85 -1.38 0.20 114.93 117.93 2row h MET 69 Ca 0.15 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.27 2row h MET 69 Cb 0.26 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 2row h MET 69 CO -0.33 0.23 0.10 0.22 -0.40 0.00 0.00 176.91 176.73 2row h ASP 70 N -0.14 0.00 0.77 1.39 1.82 -0.68 -0.26 116.42 119.33 2row h ASP 70 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2row h ASP 70 Cb 0.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.21 2row h ASP 70 CO -0.00 0.00 -0.79 0.29 -1.61 0.00 0.00 179.24 177.13 2row n LYS 71 N -4.48 0.34 -3.02 0.28 4.76 0.90 -4.96 118.16 111.97 2row n LYS 71 Ca 0.00 0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.35 2row n LYS 71 Cb 0.23 -1.68 0.04 0.00 -1.84 0.00 0.00 35.03 31.77 2row n LYS 71 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2row n LYS 72 N -2.16 -4.53 -1.70 1.97 0.00 0.61 -4.94 118.16 107.41 2row n LYS 72 Ca 0.02 0.63 -0.42 0.00 0.00 0.00 0.00 58.31 58.55 2row n LYS 72 Cb 0.46 -4.96 0.00 0.00 0.00 0.00 0.00 35.03 30.52 2row n LYS 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2row n GLU 73 N -3.39 2.08 -1.06 1.64 1.02 -0.65 -4.87 120.64 115.40 2row n GLU 73 Ca -0.04 0.73 -0.22 0.00 -0.02 0.00 0.00 57.16 57.61 2row n GLU 73 Cb 0.57 -2.37 0.03 0.00 -0.02 0.00 0.00 31.44 29.65 2row n GLU 73 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2row n GLU 74 N 0.34 2.05 -0.02 3.49 0.28 -1.26 -3.96 120.64 121.56 2row n GLU 74 Ca 0.05 -2.00 -0.03 0.00 -0.16 0.00 0.00 57.16 55.02 2row n GLU 74 Cb 0.38 -1.81 -0.03 0.00 1.43 0.00 0.00 31.44 31.40 2row n GLU 74 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2row n ILE 75 N 0.17 0.32 -2.00 3.84 -5.35 -1.26 -5.02 119.36 110.06 2row n ILE 75 Ca 0.39 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 62.28 2row n ILE 75 Cb 0.58 -0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 37.63 2row n ILE 75 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2row s ILE 76 N -2.11 2.53 0.34 7.28 1.01 -1.25 -4.79 121.20 124.20 2row s ILE 76 Ca -0.04 0.50 0.09 0.00 0.00 0.00 0.00 60.65 61.21 2row s ILE 76 Cb 0.02 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.11 2row s ILE 76 CO 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 174.94 175.19 2row s ALA 77 N -0.74 3.09 0.86 9.38 0.00 -1.26 -5.11 121.76 127.98 2row s ALA 77 Ca 0.53 -2.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.39 2row s ALA 77 Cb -0.42 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.55 2row s ALA 77 CO 0.52 0.09 1.15 -1.25 0.00 0.00 0.00 175.76 176.26 2row s PRO 78 N -3.67 1.42 0.55 0.00 0.04 -1.26 -4.90 135.00 127.18 2row s PRO 78 Ca 0.34 1.52 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 2row s PRO 78 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2row s PRO 78 CO 0.18 -2.33 1.33 0.00 0.04 0.00 0.00 177.00 176.22 2row h LYS 80 N 1.35 0.32 0.02 0.00 2.10 -1.92 -3.39 116.57 115.04 2row h LYS 80 Ca -0.51 -0.55 -0.02 0.00 -2.00 0.00 0.00 60.65 57.57 2row h LYS 80 Cb 1.31 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 2row h LYS 80 CO 0.57 1.26 -0.10 -0.39 -2.00 0.00 0.00 179.45 178.79 2row h VAL 81 N -0.06 1.75 0.00 0.07 -1.51 -1.92 -3.46 116.25 111.12 2row h VAL 81 Ca -0.34 -2.34 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 2row h VAL 81 Cb 1.96 3.34 0.00 0.00 -2.13 0.00 0.00 31.29 34.46 2row h VAL 81 CO 0.12 0.61 0.00 0.00 -1.23 0.00 0.00 177.57 177.07 2row n TYR 82 N -4.56 0.00 0.00 5.19 4.19 -1.26 -3.22 117.16 117.50 2row n TYR 82 Ca -0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.11 2row n TYR 82 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 2row n TYR 82 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2row n TYR 83 N 0.00 0.00 0.00 2.98 4.02 -1.26 -5.04 117.16 117.86 2row n TYR 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2row n TYR 83 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 2row n TYR 83 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38