#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2row s SER 2 N 0.00 6.22 -0.13 4.31 0.15 -1.26 -5.05 113.70 117.94 2row s SER 2 Ca 0.00 -2.95 -0.06 0.00 0.70 0.00 0.00 55.95 53.64 2row s SER 2 Cb 0.00 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 2row s SER 2 CO 0.00 -0.43 0.08 -0.75 1.20 0.00 0.00 173.24 173.34 2row s LYS 3 N -0.22 3.53 -0.30 5.44 2.20 -1.26 -5.07 119.74 124.05 2row s LYS 3 Ca 0.20 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 2row s LYS 3 Cb -0.13 -3.11 0.19 0.00 -1.51 0.00 0.00 37.83 33.26 2row s LYS 3 CO -0.07 0.59 0.70 0.21 -0.36 0.00 0.00 175.35 176.42 2row s LYS 4 N -0.52 0.48 -0.13 4.03 2.36 -1.26 -5.14 119.74 119.56 2row s LYS 4 Ca 0.11 0.70 -0.29 0.00 -2.55 0.00 0.00 55.97 53.93 2row s LYS 4 Cb -0.12 0.37 -0.01 0.00 -1.05 0.00 0.00 37.83 37.02 2row s LYS 4 CO 0.02 -0.66 1.08 -1.83 1.55 0.00 0.00 175.35 175.51 2row s GLU 5 N 2.87 4.36 1.01 4.03 -1.05 -1.26 -5.04 118.70 123.62 2row s GLU 5 Ca 0.15 1.47 -0.16 0.00 -0.15 0.00 0.00 54.97 56.29 2row s GLU 5 Cb -0.12 -3.59 0.20 0.00 -0.44 0.00 0.00 34.13 30.19 2row s GLU 5 CO -0.21 -0.45 1.19 -1.25 0.95 0.00 0.00 175.26 175.50 2row s PRO 6 N 2.44 0.27 0.19 -4.83 0.04 -1.26 -4.83 135.00 127.02 2row s PRO 6 Ca 0.50 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2row s PRO 6 Cb -0.19 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2row s PRO 6 CO 0.16 -2.72 0.00 -1.91 0.04 0.00 0.00 177.00 172.57 2row n GLU 7 N -4.06 -5.11 -2.77 4.56 2.13 -1.26 -4.88 120.64 109.26 2row n GLU 7 Ca 0.12 3.66 -0.02 0.00 0.66 0.00 0.00 57.16 61.58 2row n GLU 7 Cb 0.59 -3.89 0.00 0.00 0.27 0.00 0.00 31.44 28.42 2row n GLU 7 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2row n PHE 8 N 1.73 -3.80 -1.36 4.31 -0.00 -1.26 -5.00 117.46 112.08 2row n PHE 8 Ca 0.00 1.65 -0.29 0.00 -0.00 0.00 0.00 57.45 58.81 2row n PHE 8 Cb 0.00 -3.95 0.17 0.00 -0.00 0.00 0.00 39.48 35.71 2row n PHE 8 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2row s PRO 9 N -1.83 0.45 0.00 -7.13 0.04 -1.26 -4.60 135.00 120.68 2row s PRO 9 Ca 0.05 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2row s PRO 9 Cb -0.01 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2row s PRO 9 CO 0.76 -2.66 0.00 1.55 0.04 0.00 0.00 177.00 176.70 2row n VAL 10 N -4.08 -0.83 -3.00 -0.36 3.14 -1.26 -4.84 118.33 107.11 2row n VAL 10 Ca 0.08 0.18 -0.43 0.00 -2.96 0.00 0.00 64.34 61.21 2row n VAL 10 Cb 0.59 -1.33 -0.05 0.00 -1.06 0.00 0.00 33.84 31.98 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 -0.37 3.27 0.42 1.45 -1.05 -1.26 -5.05 118.70 116.11 2row s GLU 11 Ca 0.00 -0.44 -0.07 0.00 -0.15 0.00 0.00 54.97 54.31 2row s GLU 11 Cb 0.00 -4.03 0.10 0.00 -0.44 0.00 0.00 34.13 29.77 2row s GLU 11 CO 0.00 -1.25 0.35 -0.35 0.95 0.00 0.00 175.26 174.96 2row n PRO 12 N 6.72 -1.91 -4.12 -4.83 -0.04 -1.26 -5.03 135.00 124.53 2row n PRO 12 Ca -0.01 -0.56 -0.35 0.00 -0.04 0.00 0.00 63.50 62.53 2row n PRO 12 Cb 0.47 -0.55 -0.09 0.00 -0.04 0.00 0.00 33.50 33.28 2row n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2row s VAL 13 N -1.61 4.69 0.00 0.52 -7.23 -1.26 -5.00 120.40 110.51 2row s VAL 13 Ca 0.23 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2row s VAL 13 Cb -0.03 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.86 2row s VAL 13 CO 0.18 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.11 2row n GLY 14 N 2.91 3.84 0.06 2.32 0.00 -1.26 -4.97 105.19 108.08 2row n GLY 14 Ca -0.18 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 2row n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2row h GLU 15 N 0.00 0.06 -5.29 1.61 5.08 -2.05 -3.41 114.58 110.58 2row h GLU 15 Ca 0.00 -0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.74 2row h GLU 15 Cb 0.00 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.09 2row h GLU 15 CO 0.00 0.07 -0.55 0.15 -1.00 0.00 0.00 179.01 177.69 2row s LYS 16 N -6.06 4.01 -0.10 2.33 1.02 -1.26 -5.09 119.74 114.59 2row s LYS 16 Ca -0.13 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 55.55 2row s LYS 16 Cb 0.06 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.14 2row s LYS 16 CO 0.67 0.29 -0.11 -1.12 -0.92 0.00 0.00 175.35 174.16 2row s SER 17 N 0.33 2.13 0.73 2.83 0.01 -1.26 -5.12 113.70 113.34 2row s SER 17 Ca 0.04 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.91 2row s SER 17 Cb -0.12 -0.91 0.11 0.00 0.21 0.00 0.00 66.02 65.30 2row s SER 17 CO -0.00 -0.03 1.02 0.20 0.41 0.00 0.00 173.24 174.84 2row s ASN 18 N 1.17 4.40 -0.11 2.44 0.02 -1.26 -5.05 114.94 116.54 2row s ASN 18 Ca -0.04 0.01 -0.01 0.00 -1.02 0.00 0.00 52.86 51.80 2row s ASN 18 Cb -0.14 -0.49 0.03 0.00 0.02 0.00 0.00 41.25 40.67 2row s ASN 18 CO -0.03 -1.83 -0.04 -0.31 0.02 0.00 0.00 177.10 174.91 2row s TYR 19 N -3.24 1.25 -0.44 2.20 1.51 -1.26 -4.16 117.35 113.21 2row s TYR 19 Ca 0.65 -0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 55.78 2row s TYR 19 Cb -0.07 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2row s TYR 19 CO 0.45 -0.48 1.37 0.42 -1.11 0.00 0.00 175.55 176.20 2row s ILE 20 N 1.78 3.93 0.10 2.71 1.09 0.28 -4.84 121.20 126.27 2row s ILE 20 Ca 0.04 0.93 -0.30 0.00 -1.10 0.00 0.00 60.65 60.22 2row s ILE 20 Cb -0.13 -4.29 -0.06 0.00 -1.06 0.00 0.00 42.46 36.92 2row s ILE 20 CO -0.07 -0.85 0.96 0.00 -0.10 0.00 0.00 174.94 174.88 2row s HIS 22 N 0.06 -1.09 -0.22 0.00 5.04 0.32 -4.97 115.29 114.42 2row s HIS 22 Ca 0.47 1.20 -0.20 0.00 -1.54 0.00 0.00 55.06 54.99 2row s HIS 22 Cb -0.23 0.40 0.03 0.00 0.04 0.00 0.00 32.58 32.82 2row s HIS 22 CO 0.30 -0.59 0.33 0.36 -2.34 0.00 0.00 174.74 172.80 2row n LYS 23 N 5.44 -0.96 -1.11 2.88 2.85 -1.26 0.11 118.16 126.10 2row n LYS 23 Ca -0.04 0.71 -0.04 0.00 -1.05 0.00 0.00 58.31 57.89 2row n LYS 23 Cb 0.52 -1.00 -0.02 0.00 -0.65 0.00 0.00 35.03 33.89 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 -0.08 0.44 3.16 2.58 0.00 -1.26 -3.65 105.19 106.37 2row n GLY 24 Ca -0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.48 1.94 -0.62 1.61 4.02 0.29 -3.07 115.29 117.98 2row s HIS 25 Ca 0.00 -0.62 0.06 0.00 1.02 0.00 0.00 55.06 55.52 2row s HIS 25 Cb 0.00 -1.31 0.23 0.00 -1.02 0.00 0.00 32.58 30.48 2row s HIS 25 CO 0.00 -0.23 0.65 0.39 1.02 0.00 0.00 174.74 176.57 2row n GLU 26 N 3.25 2.08 -0.86 1.40 1.02 -1.24 0.12 120.64 126.41 2row n GLU 26 Ca -0.19 -4.41 -0.31 0.00 -0.02 0.00 0.00 57.16 52.23 2row n GLU 26 Cb 0.53 -2.12 0.15 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.01 1.89 -0.05 -0.32 0.08 0.01 -3.40 117.98 114.18 2row s PHE 27 Ca 0.36 1.72 0.03 0.00 0.12 0.00 0.00 56.93 59.15 2row s PHE 27 Cb 0.11 -3.26 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2row s PHE 27 CO -0.06 -2.54 -0.12 0.42 -0.10 0.00 0.00 175.22 172.81 2row s ILE 28 N -2.72 1.10 -0.26 0.64 -1.09 0.35 0.10 121.20 119.32 2row s ILE 28 Ca 0.65 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 58.29 2row s ILE 28 Cb -0.21 -0.99 -0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2row s ILE 28 CO 0.57 0.34 1.72 -2.16 -1.23 0.00 0.00 174.94 174.18 2row s PRO 29 N 0.39 3.58 0.20 2.79 0.04 -1.26 0.09 135.00 140.84 2row s PRO 29 Ca -0.09 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 2row s PRO 29 Cb -0.13 -4.12 0.01 0.00 0.04 0.00 0.00 34.50 30.31 2row s PRO 29 CO 0.02 -1.55 0.47 -0.08 0.04 0.00 0.00 177.00 175.90 2row s THR 30 N 5.99 0.03 0.20 1.26 -1.32 0.71 -4.90 115.64 117.61 2row s THR 30 Ca 0.76 -1.05 0.08 0.00 -1.21 0.00 0.00 61.69 60.27 2row s THR 30 Cb -0.24 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 2row s THR 30 CO 0.32 -0.13 0.01 -0.76 -2.21 0.00 0.00 174.62 171.85 2row s LEU 31 N -2.92 3.30 -0.16 9.08 1.43 -1.26 -0.73 118.68 127.41 2row s LEU 31 Ca 0.14 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2row s LEU 31 Cb -0.00 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2row s LEU 31 CO 0.01 0.06 0.05 -0.31 0.23 0.00 0.00 176.35 176.38 2row s TYR 32 N -1.91 0.66 -0.40 0.29 2.02 -1.26 -4.99 117.35 111.77 2row s TYR 32 Ca 0.29 -0.53 0.23 0.00 -0.37 0.00 0.00 57.07 56.69 2row s TYR 32 Cb -0.08 -0.86 0.23 0.00 -0.40 0.00 0.00 41.96 40.85 2row s TYR 32 CO 0.19 -0.52 1.36 0.45 -1.57 0.00 0.00 175.55 175.47 2row h HIS 33 N 8.32 0.00 -2.26 2.71 3.86 -1.95 -3.00 115.15 122.83 2row h HIS 33 Ca -0.16 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.61 2row h HIS 33 Cb 1.13 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.64 2row h HIS 33 CO 0.28 0.00 -0.10 -0.06 0.86 0.00 0.00 177.93 178.91 2row s PHE 34 N -3.26 2.89 -0.59 2.45 0.08 -1.26 -4.38 117.98 113.91 2row s PHE 34 Ca 0.04 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.74 2row s PHE 34 Cb 0.08 -2.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 2row s PHE 34 CO 0.72 -0.69 2.09 -2.14 -0.10 0.00 0.00 175.22 175.10 2row s PRO 35 N -4.63 2.39 -0.06 0.24 0.02 -1.26 -4.58 135.00 127.12 2row s PRO 35 Ca 0.55 0.85 0.03 0.00 0.02 0.00 0.00 61.00 62.46 2row s PRO 35 Cb -0.10 -4.51 -0.02 0.00 0.02 0.00 0.00 34.50 29.89 2row s PRO 35 CO 0.37 -3.03 -0.14 0.99 -0.33 0.00 0.00 177.00 174.86 2row s THR 36 N 10.49 3.06 -0.11 0.99 2.01 -0.41 -5.01 115.64 126.66 2row s THR 36 Ca 0.79 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 2row s THR 36 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2row s THR 36 CO 0.21 0.58 0.17 0.20 -0.69 0.00 0.00 174.62 175.09 2row s ASN 37 N -0.53 6.43 0.14 3.53 0.01 -1.26 1.00 114.94 124.26 2row s ASN 37 Ca 0.07 0.51 -0.21 0.00 -0.71 0.00 0.00 52.86 52.52 2row s ASN 37 Cb -0.12 -2.09 -0.07 0.00 0.41 0.00 0.00 41.25 39.38 2row s ASN 37 CO 0.01 0.39 0.67 0.00 -1.51 0.00 0.00 177.10 176.67 2row h GLU 39 N 4.19 0.49 0.00 0.00 4.39 -1.84 -3.41 114.58 118.40 2row h GLU 39 Ca -0.48 -0.79 0.00 0.00 0.34 0.00 0.00 59.36 58.43 2row h GLU 39 Cb 1.21 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2row h GLU 39 CO 0.65 1.37 0.00 0.00 -1.16 0.00 0.00 179.01 179.87 2row n ALA 40 N -2.66 0.00 -1.43 3.43 0.00 -1.26 -4.86 120.51 113.72 2row n ALA 40 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2row n ALA 40 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 -0.80 0.66 -1.35 0.00 0.00 -1.26 -4.71 117.12 109.66 2row n MET 42 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 57.70 57.25 2row n MET 42 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 33.22 31.73 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 -2.48 0.47 -1.11 0.03 5.02 -1.26 -4.84 118.16 113.98 2row n LYS 43 Ca -0.13 0.21 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 2row n LYS 43 Cb 0.76 -2.09 0.24 0.00 -0.02 0.00 0.00 35.03 33.93 2row n LYS 43 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2row s PRO 44 N -3.09 -1.22 -0.26 1.97 0.04 -1.26 -3.85 135.00 127.32 2row s PRO 44 Ca 0.71 -0.11 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 2row s PRO 44 Cb -0.35 -1.60 0.13 0.00 0.04 0.00 0.00 34.50 32.72 2row s PRO 44 CO 0.52 -3.70 0.32 -1.17 0.04 0.00 0.00 177.00 173.01 2row s LEU 45 N -6.92 -0.38 0.00 -3.56 2.96 0.28 -4.63 118.68 106.43 2row s LEU 45 Ca 0.71 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2row s LEU 45 Cb -0.09 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.31 2row s LEU 45 CO 0.56 -0.35 0.00 -2.67 -1.32 0.00 0.00 176.35 172.57 2row n TRP 46 N 5.33 0.00 0.00 5.38 4.27 -1.26 -1.29 117.44 129.87 2row n TRP 46 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 2row n TRP 46 Cb 0.48 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.43 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 0.45 0.00 -0.03 -2.67 -0.00 -1.13 -4.74 115.22 107.09 2row n HIS 47 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2row n HIS 47 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 2row n HIS 47 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2row n MET 48 N -0.05 0.66 -0.00 1.57 2.81 -1.26 -4.22 117.12 116.62 2row n MET 48 Ca 0.00 0.25 -0.00 0.00 -1.81 0.00 0.00 57.70 56.14 2row n MET 48 Cb 0.00 -1.74 -0.00 0.00 -0.71 0.00 0.00 33.22 30.77 2row n MET 48 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2row h PHE 49 N 0.01 0.00 -3.26 2.03 -1.00 -1.96 -3.46 116.94 109.30 2row h PHE 49 Ca -0.34 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.82 2row h PHE 49 Cb 2.04 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 41.20 2row h PHE 49 CO 0.01 0.00 -0.71 0.15 -1.61 0.00 0.00 178.31 176.15 2row s LYS 50 N -1.01 1.39 0.01 1.51 -0.14 -1.26 -5.10 119.74 115.15 2row s LYS 50 Ca -0.00 -1.96 -0.30 0.00 -1.36 0.00 0.00 55.97 52.35 2row s LYS 50 Cb 0.00 -2.69 -0.08 0.00 -1.68 0.00 0.00 37.83 33.38 2row s LYS 50 CO 0.00 -1.07 1.80 -1.25 -0.76 0.00 0.00 175.35 174.07 2row s PRO 51 N 0.54 4.16 0.64 -1.68 0.04 -1.26 -4.83 135.00 132.61 2row s PRO 51 Ca 0.15 2.42 -0.15 0.00 0.04 0.00 0.00 61.00 63.46 2row s PRO 51 Cb -0.22 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 2row s PRO 51 CO -0.06 -0.88 1.09 -1.25 0.04 0.00 0.00 177.00 175.94 2row s PRO 52 N 3.96 2.96 -0.70 0.56 0.04 -1.26 -4.89 135.00 135.66 2row s PRO 52 Ca 0.81 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.91 2row s PRO 52 Cb -0.39 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 2row s PRO 52 CO 0.36 -1.12 2.26 -1.25 0.04 0.00 0.00 177.00 177.29 2row s PRO 53 N -4.11 2.03 0.40 0.56 0.04 -1.26 -4.62 135.00 128.03 2row s PRO 53 Ca 0.66 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2row s PRO 53 Cb -0.19 -4.73 -0.04 0.00 0.04 0.00 0.00 34.50 29.58 2row s PRO 53 CO 0.40 -3.72 0.66 0.00 0.04 0.00 0.00 177.00 174.38 2row s ALA 54 N 12.55 3.54 -0.27 8.56 0.00 0.09 0.13 121.76 146.36 2row s ALA 54 Ca 0.87 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.21 2row s ALA 54 Cb -0.13 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.68 2row s ALA 54 CO 0.13 -0.11 -0.09 -0.51 0.00 0.00 0.00 175.76 175.18 2row s LEU 55 N -4.34 3.55 -0.17 0.00 1.43 -0.35 -0.21 118.68 118.60 2row s LEU 55 Ca 0.44 -1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.03 2row s LEU 55 Cb -0.10 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2row s LEU 55 CO 0.38 -0.21 0.21 -0.70 0.23 0.00 0.00 176.35 176.26 2row s GLU 56 N 1.12 4.15 0.19 1.70 2.12 0.11 -0.30 118.70 127.79 2row s GLU 56 Ca -0.08 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 2row s GLU 56 Cb -0.20 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 2row s GLU 56 CO -0.04 0.33 1.14 0.00 -0.54 0.00 0.00 175.26 176.14 2row n ARG 58 N 2.28 2.03 0.00 0.00 1.85 -1.22 -3.38 116.66 118.22 2row n ARG 58 Ca 0.03 -2.45 0.00 0.00 -1.00 0.00 0.00 57.85 54.43 2row n ARG 58 Cb 0.45 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 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 -0.82 0.00 0.05 2.89 1.74 -1.26 -4.91 116.66 114.35 2row n ARG 59 Ca 0.49 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.69 2row n ARG 59 Cb 1.42 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 33.07 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 -2.02 -0.79 -3.70 0.00 -0.00 -1.22 -5.05 115.22 102.45 2row n HIS 61 Ca 0.04 0.35 -0.11 0.00 0.46 0.00 0.00 57.72 58.45 2row n HIS 61 Cb 0.42 -2.00 -0.10 0.00 -0.12 0.00 0.00 29.99 28.19 2row n HIS 61 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 2row s ILE 62 N -0.38 -0.01 0.01 3.57 -4.36 -1.26 -4.89 121.20 113.88 2row s ILE 62 Ca 0.00 0.04 -0.01 0.00 -0.26 0.00 0.00 60.65 60.43 2row s ILE 62 Cb -0.00 -0.68 -0.04 0.00 1.25 0.00 0.00 42.46 42.99 2row s ILE 62 CO 0.15 0.02 0.13 -0.54 0.24 0.00 0.00 174.94 174.94 2row s LYS 63 N 0.95 3.23 -0.29 0.37 3.01 -1.25 0.32 119.74 126.07 2row s LYS 63 Ca -0.06 -0.43 -0.05 0.00 -1.01 0.00 0.00 55.97 54.43 2row s LYS 63 Cb -0.06 -2.96 0.16 0.00 -1.01 0.00 0.00 37.83 33.96 2row s LYS 63 CO -0.08 0.65 0.58 0.00 0.51 0.00 0.00 175.35 177.01 2row n HIS 65 N 5.43 0.06 -0.08 0.00 -0.00 -1.26 -1.21 115.22 118.16 2row n HIS 65 Ca -0.05 0.64 0.22 0.00 -0.00 0.00 0.00 57.72 58.53 2row n HIS 65 Cb 0.50 -1.27 0.67 0.00 -0.00 0.00 0.00 29.99 29.89 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 1.28 0.06 -0.78 -0.41 3.64 0.86 -0.76 116.57 120.47 2row h LYS 66 Ca -0.25 -0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2row h LYS 66 Cb 0.90 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.59 2row h LYS 66 CO 0.38 0.04 0.24 -0.44 -2.27 0.00 0.00 179.45 177.40 2row h ASP 67 N 0.06 0.11 -0.42 4.20 5.19 -1.85 -0.54 116.42 123.17 2row h ASP 67 Ca 0.32 0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.95 2row h ASP 67 Cb 1.21 0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.83 2row h ASP 67 CO -0.02 -0.01 0.04 0.45 -3.12 0.00 0.00 179.24 176.57 2row h HIS 68 N 0.32 0.06 0.10 4.55 3.86 -1.44 0.70 115.15 123.29 2row h HIS 68 Ca 0.45 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 2row h HIS 68 Cb 0.78 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2row h HIS 68 CO -0.23 -0.04 -0.05 1.98 0.86 0.00 0.00 177.93 180.46 2row h MET 69 N 0.16 -0.13 -0.36 2.45 1.85 -1.29 0.59 114.93 118.20 2row h MET 69 Ca 0.21 0.01 0.10 0.00 -0.61 0.00 0.00 59.70 59.41 2row h MET 69 Cb 0.28 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 2row h MET 69 CO -0.31 0.08 0.27 0.22 -0.40 0.00 0.00 176.91 176.77 2row h ASP 70 N -0.31 0.00 0.55 1.39 1.82 -0.79 0.24 116.42 119.31 2row h ASP 70 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2row h ASP 70 Cb 0.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2row h ASP 70 CO 0.02 0.00 -1.29 0.29 -1.61 0.00 0.00 179.24 176.65 2row n LYS 71 N -4.32 0.53 -2.88 0.28 4.76 0.21 -5.01 118.16 111.73 2row n LYS 71 Ca 0.06 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 2row n LYS 71 Cb 0.45 -1.67 0.05 0.00 -1.84 0.00 0.00 35.03 32.01 2row n LYS 71 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2row n LYS 72 N -2.35 -1.67 -3.02 1.97 4.76 0.20 -4.97 118.16 113.08 2row n LYS 72 Ca -0.01 0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 55.84 2row n LYS 72 Cb 0.52 -4.98 -0.05 0.00 -1.84 0.00 0.00 35.03 28.68 2row n LYS 72 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2row s GLU 73 N -3.90 4.19 0.62 1.97 2.02 -0.88 -4.92 118.70 117.80 2row s GLU 73 Ca 0.30 0.74 0.32 0.00 0.02 0.00 0.00 54.97 56.35 2row s GLU 73 Cb -0.04 -3.61 1.76 0.00 0.10 0.00 0.00 34.13 32.34 2row s GLU 73 CO 0.60 -0.37 2.08 1.05 0.02 0.00 0.00 175.26 178.64 2row h GLU 74 N 7.61 0.00 -0.93 1.61 4.11 -1.93 -1.80 114.58 123.26 2row h GLU 74 Ca -0.28 0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.42 2row h GLU 74 Cb 1.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2row h GLU 74 CO 0.81 0.00 0.77 -0.84 0.07 0.00 0.00 179.01 179.82 2row h ILE 75 N 0.00 0.35 -3.06 -1.06 3.07 -1.94 -3.38 117.51 111.49 2row h ILE 75 Ca 0.06 0.00 -0.56 0.00 1.55 0.00 0.00 64.86 65.91 2row h ILE 75 Cb 0.52 0.43 -0.04 0.00 -0.27 0.00 0.00 36.82 37.47 2row h ILE 75 CO -0.00 0.00 0.76 -0.63 -1.05 0.00 0.00 178.15 177.23 2row s ILE 76 N -4.79 4.44 0.32 0.16 1.01 -0.68 -4.73 121.20 116.94 2row s ILE 76 Ca -0.04 1.74 0.07 0.00 0.00 0.00 0.00 60.65 62.42 2row s ILE 76 Cb 0.20 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2row s ILE 76 CO 0.69 -0.08 0.32 0.00 0.00 0.00 0.00 174.94 175.87 2row s ALA 77 N 2.76 3.90 0.91 9.38 0.00 -1.26 -5.05 121.76 132.40 2row s ALA 77 Ca 0.52 -1.56 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 2row s ALA 77 Cb -0.21 -1.32 0.14 0.00 0.00 0.00 0.00 23.12 21.74 2row s ALA 77 CO 0.16 0.04 1.11 -1.25 0.00 0.00 0.00 175.76 175.82 2row s PRO 78 N -4.01 1.06 0.52 0.00 0.04 -1.25 -4.91 135.00 126.44 2row s PRO 78 Ca 0.40 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 2row s PRO 78 Cb -0.07 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 2row s PRO 78 CO 0.27 -2.52 1.37 0.00 0.04 0.00 0.00 177.00 176.17 2row h LYS 80 N 1.68 0.22 0.00 0.00 2.10 -1.92 -3.35 116.57 115.29 2row h LYS 80 Ca -0.51 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 57.77 2row h LYS 80 Cb 1.29 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2row h LYS 80 CO 0.58 1.07 0.00 1.33 -2.00 0.00 0.00 179.45 180.43 2row n VAL 81 N -3.40 0.67 -1.07 0.07 0.24 -1.26 -3.15 118.33 110.42 2row n VAL 81 Ca -0.28 0.10 -0.26 0.00 -2.04 0.00 0.00 64.34 61.86 2row n VAL 81 Cb 1.05 -0.86 0.09 0.00 -1.47 0.00 0.00 33.84 32.65 2row n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2row n TYR 82 N -1.81 2.61 0.00 6.34 9.36 -1.26 -4.27 117.16 128.14 2row n TYR 82 Ca 0.04 -2.35 0.00 0.00 3.32 0.00 0.00 57.90 58.91 2row n TYR 82 Cb 0.26 -1.15 0.00 0.00 -0.63 0.00 0.00 39.34 37.83 2row n TYR 82 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2row n TYR 83 N -0.59 -0.73 0.00 2.98 4.01 -1.19 -4.97 117.16 116.67 2row n TYR 83 Ca 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 2row n TYR 83 Cb 0.88 0.37 0.00 0.00 -0.31 0.00 0.00 39.34 40.28 2row n TYR 83 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93