#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wff s SER 2 N 0.00 -0.05 0.09 1.61 0.15 -1.26 -5.19 113.70 109.05 1wff s SER 2 Ca 0.00 -0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.19 1wff s SER 2 Cb 0.00 0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.60 1wff s SER 2 CO 0.00 -0.39 1.15 -0.44 1.20 0.00 0.00 173.24 174.76 1wff s SER 3 N -3.19 -0.02 0.09 5.45 0.01 -1.26 -5.20 113.70 109.59 1wff s SER 3 Ca 0.18 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.76 1wff s SER 3 Cb 0.03 0.34 0.09 0.00 0.21 0.00 0.00 66.02 66.68 1wff s SER 3 CO -0.02 -0.66 1.14 -0.83 0.41 0.00 0.00 173.24 173.28 1wff s GLY 4 N -3.42 -0.10 -0.27 3.44 0.00 -1.26 -5.18 107.32 100.53 1wff s GLY 4 Ca 0.22 0.02 -0.27 0.00 0.00 0.00 0.00 44.72 44.69 1wff s GLY 4 CO 0.02 2.53 1.24 -0.45 0.00 0.00 0.00 173.10 176.43 1wff s SER 5 N -3.37 -0.21 0.26 1.64 0.15 -1.26 -5.19 113.70 105.71 1wff s SER 5 Ca 0.21 0.35 -0.07 0.00 0.70 0.00 0.00 55.95 57.15 1wff s SER 5 Cb -0.00 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1wff s SER 5 CO 0.02 -0.11 0.38 -0.94 1.20 0.00 0.00 173.24 173.78 1wff s SER 6 N -0.31 0.26 0.02 5.45 1.04 -1.26 -5.18 113.70 113.71 1wff s SER 6 Ca 0.05 -1.21 -0.08 0.00 0.48 0.00 0.00 55.95 55.19 1wff s SER 6 Cb -0.03 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wff s SER 6 CO -0.09 -1.09 0.15 -0.83 0.98 0.00 0.00 173.24 172.36 1wff s GLY 7 N -3.12 0.06 0.03 7.32 0.00 -1.26 -5.17 107.32 105.18 1wff s GLY 7 Ca 0.29 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.82 1wff s GLY 7 CO 0.13 -0.36 -0.07 -0.42 0.00 0.00 0.00 173.10 172.38 1wff s ILE 8 N -1.83 0.47 -0.23 0.90 1.09 -1.26 -5.16 121.20 115.18 1wff s ILE 8 Ca -0.11 -0.97 -0.29 0.00 -1.10 0.00 0.00 60.65 58.18 1wff s ILE 8 Cb -0.05 -0.53 0.16 0.00 -1.06 0.00 0.00 42.46 40.98 1wff s ILE 8 CO -0.00 -0.35 1.20 -2.28 -0.10 0.00 0.00 174.94 173.41 1wff s HIS 9 N -1.26 -0.19 0.00 3.97 2.46 -1.26 -5.19 115.29 113.82 1wff s HIS 9 Ca -0.10 0.33 -0.29 0.00 0.47 0.00 0.00 55.06 55.47 1wff s HIS 9 Cb -0.09 0.47 0.11 0.00 -0.13 0.00 0.00 32.58 32.94 1wff s HIS 9 CO 0.00 -0.17 1.26 -1.58 -2.47 0.00 0.00 174.74 171.78 1wff s HIS 10 N -1.02 -0.02 -0.10 3.88 5.04 -1.26 -5.17 115.29 116.64 1wff s HIS 10 Ca 0.04 -0.11 -0.07 0.00 -1.54 0.00 0.00 55.06 53.39 1wff s HIS 10 Cb -0.01 0.56 0.04 0.00 0.04 0.00 0.00 32.58 33.21 1wff s HIS 10 CO -0.04 -0.33 0.25 -1.17 -2.34 0.00 0.00 174.74 171.12 1wff s LEU 11 N -3.22 0.64 -0.01 8.88 2.96 -1.26 -5.13 118.68 121.54 1wff s LEU 11 Ca 0.18 0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 54.32 1wff s LEU 11 Cb 0.03 0.80 -0.06 0.00 0.50 0.00 0.00 46.19 47.46 1wff s LEU 11 CO -0.02 -0.14 1.45 -2.16 -1.32 0.00 0.00 176.35 174.16 1wff s PRO 12 N 0.83 4.26 0.73 0.98 0.04 -1.26 -5.01 135.00 135.57 1wff s PRO 12 Ca -0.06 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 1wff s PRO 12 Cb -0.07 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.87 1wff s PRO 12 CO -0.05 -0.63 1.10 -1.25 0.04 0.00 0.00 177.00 176.20 1wff s PRO 13 N 2.66 2.47 -0.32 0.56 0.04 -1.26 -5.05 135.00 134.11 1wff s PRO 13 Ca 0.66 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1wff s PRO 13 Cb -0.32 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.41 1wff s PRO 13 CO 0.27 -1.49 0.13 0.08 0.04 0.00 0.00 177.00 176.04 1wff s VAL 14 N -2.67 0.65 -0.16 -0.36 1.01 -1.26 -5.11 120.40 112.50 1wff s VAL 14 Ca 0.64 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wff s VAL 14 Cb -0.19 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1wff s VAL 14 CO 0.50 -0.75 -0.14 -0.54 0.00 0.00 0.00 175.10 174.18 1wff s LYS 15 N 1.52 3.25 -0.17 2.72 1.02 -1.26 -5.11 119.74 121.71 1wff s LYS 15 Ca 0.11 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 1wff s LYS 15 Cb -0.18 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1wff s LYS 15 CO -0.22 -0.00 0.12 0.00 -0.92 0.00 0.00 175.35 174.32 1wff s ALA 16 N 0.87 3.67 0.15 5.17 0.00 -1.26 -5.07 121.76 125.29 1wff s ALA 16 Ca -0.04 -0.69 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 1wff s ALA 16 Cb -0.15 -2.05 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 1wff s ALA 16 CO -0.01 0.29 1.34 -1.25 0.00 0.00 0.00 175.76 176.13 1wff s PRO 17 N -0.02 4.36 0.27 0.00 0.04 -1.26 -5.03 135.00 133.36 1wff s PRO 17 Ca 0.09 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.19 1wff s PRO 17 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1wff s PRO 17 CO -0.00 -0.34 0.17 -0.51 0.04 0.00 0.00 177.00 176.36 1wff s LEU 18 N 0.58 1.49 0.37 -3.56 1.43 -1.26 -5.18 118.68 112.55 1wff s LEU 18 Ca 0.61 -1.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.26 1wff s LEU 18 Cb -0.36 0.32 -0.03 0.00 0.03 0.00 0.00 46.19 46.15 1wff s LEU 18 CO 0.34 -0.89 0.27 -1.10 0.23 0.00 0.00 176.35 175.19 1wff s GLN 19 N -3.89 2.51 -0.49 1.70 -0.21 -1.26 -5.02 119.66 113.01 1wff s GLN 19 Ca 0.38 -1.50 -0.01 0.00 0.02 0.00 0.00 55.36 54.24 1wff s GLN 19 Cb 0.05 -2.31 0.32 0.00 1.00 0.00 0.00 33.01 32.08 1wff s GLN 19 CO 0.17 -0.02 2.03 2.41 -2.12 0.00 0.00 175.29 177.77 1wff n THR 20 N -1.35 3.19 -4.23 -0.19 -1.04 -1.26 -4.89 114.28 104.50 1wff n THR 20 Ca -0.00 -2.26 -0.17 0.00 -2.04 0.00 0.00 64.05 59.57 1wff n THR 20 Cb 0.61 -1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 67.74 1wff n THR 20 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wff s LYS 21 N -2.77 0.68 -0.27 -2.82 -0.14 -1.26 -5.15 119.74 108.01 1wff s LYS 21 Ca 0.47 -0.58 -0.25 0.00 -1.36 0.00 0.00 55.97 54.26 1wff s LYS 21 Cb 0.37 -0.60 0.07 0.00 -1.68 0.00 0.00 37.83 35.98 1wff s LYS 21 CO -0.01 0.15 0.71 -1.59 -0.76 0.00 0.00 175.35 173.85 1wff s LYS 22 N -0.93 0.83 -0.42 1.68 -2.85 -1.26 -5.13 119.74 111.66 1wff s LYS 22 Ca -0.01 0.99 -0.18 0.00 -1.00 0.00 0.00 55.97 55.76 1wff s LYS 22 Cb -0.07 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 1wff s LYS 22 CO 0.00 -0.10 0.51 0.15 0.10 0.00 0.00 175.35 176.01 1wff s LYS 23 N 0.37 3.22 0.12 1.78 1.02 -1.26 -5.02 119.74 119.96 1wff s LYS 23 Ca -0.00 -0.57 -0.34 0.00 0.02 0.00 0.00 55.97 55.08 1wff s LYS 23 Cb -0.05 -3.94 -0.18 0.00 -0.52 0.00 0.00 37.83 33.14 1wff s LYS 23 CO 0.01 -0.87 0.91 -0.89 -0.92 0.00 0.00 175.35 173.59 1wff n ILE 24 N 5.57 0.94 -3.76 2.17 5.41 -1.26 -4.97 119.36 123.46 1wff n ILE 24 Ca -0.05 -0.24 -0.13 0.00 1.00 0.00 0.00 62.75 63.33 1wff n ILE 24 Cb 0.48 -0.25 -0.10 0.00 -0.71 0.00 0.00 39.64 39.06 1wff n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wff s MET 25 N -0.46 0.53 0.19 0.38 0.23 -1.26 -5.18 119.30 113.73 1wff s MET 25 Ca 0.77 0.14 -0.05 0.00 -1.03 0.00 0.00 55.69 55.52 1wff s MET 25 Cb -1.03 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 32.48 1wff s MET 25 CO 0.55 -0.11 0.20 0.15 -2.03 0.00 0.00 175.02 173.78 1wff s LYS 26 N -0.58 1.19 -0.24 3.16 1.02 -1.26 -5.11 119.74 117.93 1wff s LYS 26 Ca -0.07 -1.44 -0.28 0.00 0.02 0.00 0.00 55.97 54.21 1wff s LYS 26 Cb -0.04 0.32 0.15 0.00 -0.52 0.00 0.00 37.83 37.74 1wff s LYS 26 CO 0.02 -0.41 1.13 -3.38 -0.92 0.00 0.00 175.35 171.80 1wff s HIS 27 N -4.07 -0.30 0.29 3.18 -3.43 -1.26 -2.37 115.29 107.33 1wff s HIS 27 Ca 0.29 0.62 -0.25 0.00 -0.80 0.00 0.00 55.06 54.92 1wff s HIS 27 Cb 0.05 0.44 -0.16 0.00 -1.43 0.00 0.00 32.58 31.47 1wff s HIS 27 CO 0.07 -0.21 0.33 0.00 -2.00 0.00 0.00 174.74 172.93 1wff n PHE 29 N -0.45 0.92 0.00 0.00 7.35 0.57 -2.81 117.46 123.04 1wff n PHE 29 Ca 0.15 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1wff n PHE 29 Cb 0.32 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.19 1wff n PHE 29 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1wff n LEU 30 N -2.69 0.44 -0.04 -2.13 7.94 -1.26 -4.65 117.00 114.61 1wff n LEU 30 Ca -0.02 0.45 -0.16 0.00 -1.11 0.00 0.00 56.01 55.17 1wff n LEU 30 Cb 0.60 -0.42 -0.13 0.00 0.53 0.00 0.00 43.42 43.99 1wff n LEU 30 CO 0.41 -0.42 0.20 0.00 -1.11 0.00 0.00 177.39 176.46 1wff n GLY 32 N 1.61 1.76 3.80 0.00 0.00 -1.12 -5.04 105.19 106.19 1wff n GLY 32 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1wff n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wff s LYS 33 N -0.13 4.43 0.61 1.61 2.20 -1.26 -4.65 119.74 122.55 1wff s LYS 33 Ca 0.00 1.13 -0.18 0.00 -0.36 0.00 0.00 55.97 56.56 1wff s LYS 33 Cb 0.00 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.48 1wff s LYS 33 CO 0.00 0.31 0.99 0.36 -0.36 0.00 0.00 175.35 176.65 1wff n LYS 34 N 0.55 0.91 -3.67 4.03 -0.00 -1.26 0.50 118.16 119.21 1wff n LYS 34 Ca 0.01 0.35 -0.14 0.00 -0.00 0.00 0.00 58.31 58.53 1wff n LYS 34 Cb 0.51 -2.20 -0.14 0.00 -0.00 0.00 0.00 35.03 33.20 1wff n LYS 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wff s THR 35 N -1.50 -0.36 0.16 0.58 -4.23 -1.00 -4.65 115.64 104.63 1wff s THR 35 Ca 0.77 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1wff s THR 35 Cb -0.41 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.01 1wff s THR 35 CO 0.46 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 1wff n GLY 36 N 5.26 -1.80 3.55 3.99 0.00 -1.26 -4.19 105.19 110.75 1wff n GLY 36 Ca -0.07 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 1wff n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wff s LEU 37 N -5.63 3.26 -1.68 0.99 1.02 -1.26 -3.98 118.68 111.39 1wff s LEU 37 Ca 0.00 -0.35 -0.13 0.00 0.02 0.00 0.00 54.13 53.67 1wff s LEU 37 Cb 0.00 -2.55 0.12 0.00 0.02 0.00 0.00 46.19 43.78 1wff s LEU 37 CO 0.00 -2.14 0.47 0.00 0.02 0.00 0.00 176.35 174.70 1wff n ALA 38 N 11.31 -1.54 0.00 4.21 0.00 -1.26 -4.75 120.51 128.48 1wff n ALA 38 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wff n ALA 38 Cb 0.50 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1wff n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wff n THR 39 N -4.33 0.00 -2.76 0.00 -1.04 -1.26 -4.92 114.28 99.98 1wff n THR 39 Ca -0.07 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 1wff n THR 39 Cb 0.56 -0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 1wff n THR 39 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1wff s SER 40 N -2.19 7.40 0.06 8.00 0.15 -1.26 -2.86 113.70 122.99 1wff s SER 40 Ca 0.00 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.34 1wff s SER 40 Cb 0.00 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1wff s SER 40 CO 0.00 -0.15 -0.06 -0.36 1.20 0.00 0.00 173.24 173.87 1wff s PHE 41 N 0.47 0.66 -0.11 3.44 0.08 -1.19 -4.97 117.98 116.35 1wff s PHE 41 Ca 0.48 -0.67 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 1wff s PHE 41 Cb -0.22 -0.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.80 1wff s PHE 41 CO 0.28 -0.15 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.20 1wff s GLU 42 N -2.42 3.25 0.30 0.44 2.12 -1.26 -3.11 118.70 118.02 1wff s GLU 42 Ca -0.03 -0.52 0.07 0.00 0.36 0.00 0.00 54.97 54.85 1wff s GLU 42 Cb -0.04 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 1wff s GLU 42 CO -0.02 0.45 0.27 0.00 -0.54 0.00 0.00 175.26 175.41 1wff h ARG 44 N 1.32 0.33 -0.40 0.00 3.08 -1.97 -0.75 114.38 115.99 1wff h ARG 44 Ca -0.47 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.41 1wff h ARG 44 Cb 1.25 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1wff h ARG 44 CO 0.59 0.22 -0.37 0.00 -1.07 0.00 0.00 179.97 179.34 1wff n GLY 46 N 0.12 1.95 3.21 0.00 0.00 -0.29 -5.09 105.19 105.09 1wff n GLY 46 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1wff n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wff s ASN 47 N -2.00 3.17 -0.29 1.61 0.01 -1.26 -4.91 114.94 111.27 1wff s ASN 47 Ca 0.00 -0.56 -0.27 0.00 -0.71 0.00 0.00 52.86 51.32 1wff s ASN 47 Cb 0.00 -1.44 0.01 0.00 0.41 0.00 0.00 41.25 40.23 1wff s ASN 47 CO 0.00 0.12 0.96 0.54 -1.51 0.00 0.00 177.10 177.21 1wff s ASN 48 N 0.56 6.87 0.46 -1.22 4.22 -1.26 -3.52 114.94 121.05 1wff s ASN 48 Ca -0.13 0.98 0.05 0.00 -2.14 0.00 0.00 52.86 51.62 1wff s ASN 48 Cb -0.17 -2.49 -0.04 0.00 1.28 0.00 0.00 41.25 39.83 1wff s ASN 48 CO 0.04 -0.73 0.06 -0.36 -2.04 0.00 0.00 177.10 174.08 1wff s PHE 49 N 3.28 2.21 0.57 1.54 0.08 -1.18 -0.31 117.98 124.16 1wff s PHE 49 Ca 0.40 -0.78 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 1wff s PHE 49 Cb -0.14 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1wff s PHE 49 CO 0.12 0.25 0.90 0.00 -0.10 0.00 0.00 175.22 176.39 1wff h ALA 51 N -0.10 1.36 0.03 0.00 0.00 -1.88 2.12 119.26 120.79 1wff h ALA 51 Ca -0.46 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 1wff h ALA 51 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1wff h ALA 51 CO 0.61 -0.36 -1.59 1.03 0.00 0.00 0.00 179.25 178.94 1wff h SER 52 N 0.00 0.11 -0.11 0.00 0.87 -1.91 -3.36 113.55 109.15 1wff h SER 52 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1wff h SER 52 Cb 0.74 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1wff h SER 52 CO 0.00 1.16 0.00 1.41 -0.53 0.00 0.00 176.83 178.87 1wff n HIS 53 N -3.21 0.33 -0.05 2.24 -0.00 0.14 -4.67 115.22 110.00 1wff n HIS 53 Ca -0.16 -0.87 -0.00 0.00 -0.00 0.00 0.00 57.72 56.70 1wff n HIS 53 Cb 1.03 -0.18 0.29 0.00 -0.00 0.00 0.00 29.99 31.13 1wff n HIS 53 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wff h ARG 54 N 0.72 0.65 -7.28 -0.41 0.11 0.30 -3.40 114.38 105.06 1wff h ARG 54 Ca 0.00 -0.11 -0.52 0.00 0.10 0.00 0.00 59.98 59.46 1wff h ARG 54 Cb 1.06 -0.11 0.15 0.00 1.11 0.00 0.00 29.97 32.18 1wff h ARG 54 CO 0.07 0.58 0.30 0.71 0.10 0.00 0.00 179.97 181.73 1wff s TYR 55 N -5.21 2.28 0.00 4.08 1.51 -1.26 -4.84 117.35 113.91 1wff s TYR 55 Ca -0.09 1.63 -0.00 0.00 -1.01 0.00 0.00 57.07 57.60 1wff s TYR 55 Cb 0.16 -3.17 -0.00 0.00 -0.11 0.00 0.00 41.96 38.84 1wff s TYR 55 CO 0.77 -2.12 0.73 0.00 -1.11 0.00 0.00 175.55 173.82 1wff h ALA 56 N -1.17 -0.73 -1.20 3.71 0.00 -1.97 -3.17 119.26 114.73 1wff h ALA 56 Ca -0.44 -0.00 0.42 0.00 0.00 0.00 0.00 54.91 54.89 1wff h ALA 56 Cb 1.25 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1wff h ALA 56 CO 0.49 -0.72 0.74 1.05 0.00 0.00 0.00 179.25 180.80 1wff h GLU 57 N -0.02 0.08 -0.87 0.00 4.11 -1.93 0.72 114.58 116.67 1wff h GLU 57 Ca -0.00 -0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.61 1wff h GLU 57 Cb 0.01 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1wff h GLU 57 CO 0.00 0.05 0.42 0.00 0.07 0.00 0.00 179.01 179.55 1wff h ALA 58 N 1.74 1.35 -0.34 1.06 0.00 -1.86 -0.42 119.26 120.79 1wff h ALA 58 Ca 0.83 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.69 1wff h ALA 58 Cb 2.40 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 20.16 1wff h ALA 58 CO -0.54 -0.21 -0.08 -2.39 0.00 0.00 0.00 179.25 176.03 1wff n HIS 59 N -4.96 1.06 -4.35 0.00 1.44 0.24 -4.96 115.22 103.70 1wff n HIS 59 Ca 0.19 -1.55 -0.33 0.00 -2.01 0.00 0.00 57.72 54.03 1wff n HIS 59 Cb 0.54 -0.48 -0.10 0.00 0.12 0.00 0.00 29.99 30.08 1wff n HIS 59 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wff n GLY 60 N -1.08 -0.17 2.83 -1.39 0.00 -0.17 -4.79 105.19 100.42 1wff n GLY 60 Ca 0.32 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 1wff n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wff n ASN 62 N 3.06 1.66 -4.63 0.00 0.23 -1.26 -4.97 115.26 109.35 1wff n ASN 62 Ca 0.00 0.00 -0.55 0.00 -0.53 0.00 0.00 54.58 53.51 1wff n ASN 62 Cb 0.50 0.86 -0.07 0.00 -2.08 0.00 0.00 39.78 38.99 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wff n TYR 63 N -2.49 1.96 -1.67 -2.53 4.19 -1.26 -4.81 117.16 110.55 1wff n TYR 63 Ca -0.22 0.39 -0.48 0.00 3.31 0.00 0.00 57.90 60.91 1wff n TYR 63 Cb 0.93 -2.51 -0.05 0.00 0.49 0.00 0.00 39.34 38.20 1wff n TYR 63 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1wff n ASP 64 N 6.76 3.11 -4.22 2.98 -0.08 -1.26 -4.91 116.55 118.92 1wff n ASP 64 Ca 0.31 1.04 -0.41 0.00 -1.51 0.00 0.00 54.79 54.22 1wff n ASP 64 Cb 0.17 -1.37 -0.03 0.00 2.34 0.00 0.00 41.12 42.23 1wff n ASP 64 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1wff s TYR 65 N 2.39 4.07 0.19 -0.67 2.02 -1.26 -5.03 117.35 119.06 1wff s TYR 65 Ca 0.86 -2.84 0.08 0.00 -0.37 0.00 0.00 57.07 54.81 1wff s TYR 65 Cb -0.72 -3.54 -0.04 0.00 -0.40 0.00 0.00 41.96 37.25 1wff s TYR 65 CO 0.46 -0.85 -0.17 0.21 -1.57 0.00 0.00 175.55 173.63 1wff s LYS 66 N -1.25 1.32 -1.62 -0.62 2.20 -1.26 -3.28 119.74 115.24 1wff s LYS 66 Ca 0.29 -1.50 -0.19 0.00 -0.36 0.00 0.00 55.97 54.20 1wff s LYS 66 Cb -0.09 -1.28 0.19 0.00 -1.51 0.00 0.00 37.83 35.14 1wff s LYS 66 CO -0.10 0.24 0.47 0.45 -0.36 0.00 0.00 175.35 176.05 1wff n SER 67 N -0.03 -1.35 0.00 1.43 2.88 -1.26 -4.67 113.62 110.62 1wff n SER 67 Ca -0.11 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 1wff n SER 67 Cb 0.59 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wff n ALA 68 N -3.65 2.29 0.00 -1.46 0.00 -1.26 -5.07 120.51 111.36 1wff n ALA 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wff n ALA 68 Cb 0.41 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1wff n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wff n GLY 69 N 2.71 1.59 3.86 0.00 0.00 -1.26 -5.15 105.19 106.95 1wff n GLY 69 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1wff n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wff s ARG 70 N 0.00 2.49 -0.27 1.61 3.00 -1.26 -5.11 118.95 119.40 1wff s ARG 70 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 55.73 54.13 1wff s ARG 70 Cb 0.00 -2.32 0.04 0.00 0.00 0.00 0.00 34.95 32.66 1wff s ARG 70 CO 0.00 -0.19 -0.03 1.03 0.00 0.00 0.00 175.30 176.11 1wff s ARG 71 N -4.10 2.65 0.39 3.54 0.52 -1.26 -4.41 118.95 116.28 1wff s ARG 71 Ca 0.47 -1.11 0.18 0.00 -0.52 0.00 0.00 55.73 54.75 1wff s ARG 71 Cb -0.02 -3.09 1.08 0.00 0.52 0.00 0.00 34.95 33.44 1wff s ARG 71 CO 0.27 -0.51 1.77 0.10 0.02 0.00 0.00 175.30 176.95 1wff h TYR 72 N 8.01 0.69 -0.30 -0.53 -0.00 -1.94 -3.34 116.97 119.57 1wff h TYR 72 Ca -0.27 0.02 -0.08 0.00 -0.00 0.00 0.00 58.73 58.41 1wff h TYR 72 Cb 1.09 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 37.60 1wff h TYR 72 CO 0.60 0.06 0.22 -0.51 -0.00 0.00 0.00 178.16 178.54 1wff s LEU 73 N -9.71 2.70 -0.09 0.10 1.43 -1.26 -4.89 118.68 106.96 1wff s LEU 73 Ca -0.09 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1wff s LEU 73 Cb 0.25 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1wff s LEU 73 CO 0.80 -4.07 -0.18 -0.70 0.23 0.00 0.00 176.35 172.43 1wff s GLU 74 N 8.25 2.93 0.75 1.70 2.56 -1.26 -5.11 118.70 128.53 1wff s GLU 74 Ca 0.83 -0.77 -0.15 0.00 0.00 0.00 0.00 54.97 54.88 1wff s GLU 74 Cb -0.08 -2.41 0.05 0.00 2.00 0.00 0.00 34.13 33.69 1wff s GLU 74 CO 0.12 0.34 1.24 -2.00 -0.56 0.00 0.00 175.26 174.40 1wff s GLU 75 N -0.02 1.98 0.39 4.30 2.12 -1.26 -4.96 118.70 121.25 1wff s GLU 75 Ca -0.05 1.88 -0.25 0.00 0.36 0.00 0.00 54.97 56.90 1wff s GLU 75 Cb -0.14 -1.80 -0.09 0.00 0.26 0.00 0.00 34.13 32.36 1wff s GLU 75 CO 0.05 -1.99 1.12 0.00 -0.54 0.00 0.00 175.26 173.90 1wff s ALA 76 N -1.86 3.15 -0.29 6.30 0.00 -1.26 -5.05 121.76 122.76 1wff s ALA 76 Ca 0.77 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 53.45 1wff s ALA 76 Cb -0.32 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.56 1wff s ALA 76 CO 0.46 -0.40 0.73 1.21 0.00 0.00 0.00 175.76 177.77 1wff s ASN 77 N -1.25 -0.91 1.08 0.00 2.47 -1.26 -5.18 114.94 109.88 1wff s ASN 77 Ca 0.56 1.42 -0.07 0.00 0.42 0.00 0.00 52.86 55.19 1wff s ASN 77 Cb -0.28 1.53 0.10 0.00 -1.45 0.00 0.00 41.25 41.15 1wff s ASN 77 CO 0.35 -0.22 0.34 -0.81 -3.72 0.00 0.00 177.10 173.05 1wff n PRO 78 N 4.45 -1.70 -3.47 0.43 -0.04 -1.26 -5.00 135.00 128.41 1wff n PRO 78 Ca -0.18 -0.55 -0.39 0.00 -0.04 0.00 0.00 63.50 62.34 1wff n PRO 78 Cb 0.57 -0.52 -0.10 0.00 -0.04 0.00 0.00 33.50 33.42 1wff n PRO 78 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wff s VAL 79 N -1.62 5.23 0.04 0.52 0.11 -1.26 -5.07 120.40 118.34 1wff s VAL 79 Ca 0.22 0.22 0.09 0.00 -2.93 0.00 0.00 61.98 59.59 1wff s VAL 79 Cb -0.02 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1wff s VAL 79 CO 0.17 0.10 -0.26 -0.55 -3.33 0.00 0.00 175.10 171.24 1wff s SER 80 N 1.71 3.19 -0.42 3.54 0.15 -1.26 -5.09 113.70 115.53 1wff s SER 80 Ca 0.11 -0.57 0.04 0.00 0.70 0.00 0.00 55.95 56.23 1wff s SER 80 Cb -0.16 -0.31 0.17 0.00 -1.71 0.00 0.00 66.02 64.00 1wff s SER 80 CO 0.11 0.27 0.33 -0.83 1.20 0.00 0.00 173.24 174.32 1wff s GLY 81 N -1.17 1.23 0.99 9.45 0.00 -1.26 -5.13 107.32 111.43 1wff s GLY 81 Ca 0.12 -2.45 -0.12 0.00 0.00 0.00 0.00 44.72 42.26 1wff s GLY 81 CO 0.02 2.09 1.09 2.56 0.00 0.00 0.00 173.10 178.86 1wff s PRO 82 N 0.09 0.46 0.67 2.90 0.04 -1.26 -5.03 135.00 132.87 1wff s PRO 82 Ca 0.31 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1wff s PRO 82 Cb 0.01 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1wff s PRO 82 CO -0.18 -2.72 1.06 0.45 0.04 0.00 0.00 177.00 175.65 1wff s SER 83 N -3.45 5.71 0.27 6.66 0.15 -1.26 -5.02 113.70 116.76 1wff s SER 83 Ca 0.65 1.42 -0.29 0.00 0.70 0.00 0.00 55.95 58.43 1wff s SER 83 Cb -0.19 -2.35 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 1wff s SER 83 CO 0.58 -1.21 1.11 -0.55 1.20 0.00 0.00 173.24 174.37 1wff s SER 84 N -4.07 7.25 0.00 5.45 0.15 -1.26 -5.34 113.70 115.88 1wff s SER 84 Ca 0.57 2.26 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1wff s SER 84 Cb -0.12 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1wff s SER 84 CO 0.54 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.43