#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 -0.46 0.01 1.61 0.01 -1.26 -5.19 113.70 108.43 1wff s SER 2 Ca 0.00 0.62 -0.29 0.00 1.31 0.00 0.00 55.95 57.59 1wff s SER 2 Cb 0.00 0.53 0.11 0.00 0.21 0.00 0.00 66.02 66.87 1wff s SER 2 CO 0.00 -0.34 1.24 -0.55 0.41 0.00 0.00 173.24 174.00 1wff s SER 3 N -0.74 -0.04 0.00 2.44 0.15 -1.26 -5.19 113.70 109.06 1wff s SER 3 Ca -0.02 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1wff s SER 3 Cb -0.02 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wff s SER 3 CO 0.01 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1wff n GLY 4 N -0.64 4.66 3.59 9.45 0.00 -1.26 -5.18 105.19 115.81 1wff n GLY 4 Ca -0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 1wff n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wff s SER 5 N 0.00 -0.17 -0.15 1.61 0.15 -1.26 -5.19 113.70 108.68 1wff s SER 5 Ca 0.00 0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.41 1wff s SER 5 Cb 0.00 0.17 0.14 0.00 -1.71 0.00 0.00 66.02 64.61 1wff s SER 5 CO 0.00 -0.24 1.09 -0.55 1.20 0.00 0.00 173.24 174.74 1wff s SER 6 N -1.79 -0.24 0.00 5.45 0.15 -1.26 -5.17 113.70 110.84 1wff s SER 6 Ca 0.07 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1wff s SER 6 Cb -0.01 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wff s SER 6 CO -0.05 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wff n GLY 7 N 0.23 0.93 2.91 9.45 0.00 -1.26 -5.17 105.19 112.28 1wff n GLY 7 Ca -0.05 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 1wff n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wff s ILE 8 N 0.00 -0.10 -0.10 -0.61 1.09 -1.26 -5.14 121.20 115.08 1wff s ILE 8 Ca 0.00 0.22 -0.05 0.00 -1.10 0.00 0.00 60.65 59.72 1wff s ILE 8 Cb 0.00 -0.26 0.05 0.00 -1.06 0.00 0.00 42.46 41.19 1wff s ILE 8 CO 0.00 0.09 0.23 -1.38 -0.10 0.00 0.00 174.94 173.78 1wff s HIS 9 N 1.43 -0.31 -0.08 3.97 -3.43 -1.26 -5.15 115.29 110.47 1wff s HIS 9 Ca -0.06 0.75 -0.30 0.00 -0.80 0.00 0.00 55.06 54.65 1wff s HIS 9 Cb -0.12 -0.01 0.09 0.00 -1.43 0.00 0.00 32.58 31.12 1wff s HIS 9 CO -0.06 -0.25 0.81 -1.58 -2.00 0.00 0.00 174.74 171.66 1wff s HIS 10 N 1.51 -0.53 -0.30 0.38 5.04 -1.26 -5.16 115.29 114.97 1wff s HIS 10 Ca -0.07 0.84 -0.14 0.00 -1.54 0.00 0.00 55.06 54.16 1wff s HIS 10 Cb -0.11 0.44 0.17 0.00 0.04 0.00 0.00 32.58 33.12 1wff s HIS 10 CO -0.08 -0.52 0.97 -1.17 -2.34 0.00 0.00 174.74 171.60 1wff s LEU 11 N -1.32 -0.62 0.26 8.88 1.98 -1.26 -5.16 118.68 121.44 1wff s LEU 11 Ca -0.06 0.73 -0.30 0.00 -2.89 0.00 0.00 54.13 51.62 1wff s LEU 11 Cb -0.00 1.66 -0.09 0.00 0.66 0.00 0.00 46.19 48.41 1wff s LEU 11 CO 0.04 -0.12 1.26 -2.16 -1.89 0.00 0.00 176.35 173.49 1wff s PRO 12 N 2.56 4.43 0.76 0.98 0.04 -1.26 -5.02 135.00 137.49 1wff s PRO 12 Ca -0.01 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1wff s PRO 12 Cb -0.07 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.36 1wff s PRO 12 CO -0.17 -0.13 1.09 -1.25 0.04 0.00 0.00 177.00 176.58 1wff s PRO 13 N -0.90 2.33 -0.06 0.56 0.04 -1.26 -5.06 135.00 130.65 1wff s PRO 13 Ca 0.52 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1wff s PRO 13 Cb -0.36 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 1wff s PRO 13 CO 0.43 -1.59 -0.18 0.54 0.04 0.00 0.00 177.00 176.24 1wff s VAL 14 N -2.82 1.57 -0.15 -0.36 0.11 -1.26 -5.13 120.40 112.36 1wff s VAL 14 Ca 0.62 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1wff s VAL 14 Cb -0.18 -1.36 0.11 0.00 -1.53 0.00 0.00 36.38 33.43 1wff s VAL 14 CO 0.54 0.45 0.91 -1.59 -3.33 0.00 0.00 175.10 172.08 1wff s LYS 15 N 0.19 0.71 -0.25 1.54 -2.85 -1.26 -5.17 119.74 112.65 1wff s LYS 15 Ca -0.09 0.26 -0.12 0.00 -1.00 0.00 0.00 55.97 55.03 1wff s LYS 15 Cb -0.14 0.34 0.09 0.00 -2.06 0.00 0.00 37.83 36.06 1wff s LYS 15 CO 0.04 -0.20 0.58 0.00 0.10 0.00 0.00 175.35 175.86 1wff s ALA 16 N -0.91 -1.62 0.11 0.59 0.00 -1.26 -5.15 121.76 113.52 1wff s ALA 16 Ca -0.03 2.07 -0.31 0.00 0.00 0.00 0.00 51.96 53.68 1wff s ALA 16 Cb -0.01 -1.39 -0.08 0.00 0.00 0.00 0.00 23.12 21.65 1wff s ALA 16 CO 0.03 -0.54 1.36 -1.25 0.00 0.00 0.00 175.76 175.36 1wff s PRO 17 N 2.03 4.34 -0.17 0.00 0.04 -1.26 -5.02 135.00 134.97 1wff s PRO 17 Ca -0.08 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 1wff s PRO 17 Cb -0.08 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.28 1wff s PRO 17 CO -0.17 -0.40 0.24 -0.51 0.04 0.00 0.00 177.00 176.19 1wff s LEU 18 N 1.02 -0.20 0.15 -3.56 1.43 -1.26 -5.15 118.68 111.11 1wff s LEU 18 Ca 0.63 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1wff s LEU 18 Cb -0.36 0.52 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1wff s LEU 18 CO 0.31 -0.29 0.10 -1.10 0.23 0.00 0.00 176.35 175.60 1wff s GLN 19 N 2.37 1.03 0.20 1.70 -0.21 -1.26 -5.17 119.66 118.31 1wff s GLN 19 Ca 0.05 -1.48 0.09 0.00 0.02 0.00 0.00 55.36 54.05 1wff s GLN 19 Cb -0.14 0.26 -0.04 0.00 1.00 0.00 0.00 33.01 34.09 1wff s GLN 19 CO -0.10 -0.31 -0.10 0.95 -2.12 0.00 0.00 175.29 173.61 1wff s THR 20 N -4.08 3.12 0.01 -0.19 -4.23 -1.26 -5.14 115.64 103.87 1wff s THR 20 Ca 0.28 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1wff s THR 20 Cb 0.07 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1wff s THR 20 CO 0.05 -0.17 0.15 -0.54 -0.54 0.00 0.00 174.62 173.56 1wff s LYS 21 N -3.00 0.52 -0.06 3.99 -0.14 -1.26 -5.16 119.74 114.63 1wff s LYS 21 Ca 0.26 -0.44 -0.10 0.00 -1.36 0.00 0.00 55.97 54.34 1wff s LYS 21 Cb -0.08 0.22 -0.05 0.00 -1.68 0.00 0.00 37.83 36.24 1wff s LYS 21 CO 0.16 -0.13 0.25 0.15 -0.76 0.00 0.00 175.35 175.02 1wff s LYS 22 N -1.58 3.63 -0.19 1.68 1.02 -1.26 -5.08 119.74 117.96 1wff s LYS 22 Ca -0.13 0.07 -0.35 0.00 0.02 0.00 0.00 55.97 55.58 1wff s LYS 22 Cb -0.06 -3.19 0.14 0.00 -0.52 0.00 0.00 37.83 34.20 1wff s LYS 22 CO 0.01 0.73 1.20 -1.59 -0.92 0.00 0.00 175.35 174.78 1wff s LYS 23 N -1.13 0.32 0.40 1.68 -2.85 -1.26 -5.15 119.74 111.75 1wff s LYS 23 Ca 0.20 -0.11 -0.24 0.00 -1.00 0.00 0.00 55.97 54.81 1wff s LYS 23 Cb -0.14 0.15 -0.11 0.00 -2.06 0.00 0.00 37.83 35.66 1wff s LYS 23 CO 0.09 -0.14 0.90 -0.89 0.10 0.00 0.00 175.35 175.41 1wff n ILE 24 N -0.07 2.26 -3.61 3.79 -0.00 -1.26 -4.93 119.36 115.54 1wff n ILE 24 Ca 0.00 -0.50 -0.38 0.00 -0.00 0.00 0.00 62.75 61.88 1wff n ILE 24 Cb 0.58 -0.98 -0.06 0.00 -0.00 0.00 0.00 39.64 39.19 1wff n ILE 24 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 1wff s MET 25 N -1.86 3.25 -0.28 0.38 -1.94 -1.26 -4.84 119.30 112.76 1wff s MET 25 Ca 0.63 -3.09 -0.09 0.00 -1.71 0.00 0.00 55.69 51.43 1wff s MET 25 Cb -0.59 -4.00 0.13 0.00 2.01 0.00 0.00 34.83 32.38 1wff s MET 25 CO 0.57 -1.25 0.59 0.15 -0.01 0.00 0.00 175.02 175.08 1wff s LYS 26 N -1.02 0.52 -0.00 2.03 1.02 -1.26 -4.99 119.74 116.03 1wff s LYS 26 Ca 0.25 1.32 0.01 0.00 0.02 0.00 0.00 55.97 57.58 1wff s LYS 26 Cb -0.10 0.71 -0.00 0.00 -0.52 0.00 0.00 37.83 37.92 1wff s LYS 26 CO -0.10 -0.25 -0.05 -3.38 -0.92 0.00 0.00 175.35 170.65 1wff s HIS 27 N 2.83 0.43 0.49 3.18 -3.43 -1.26 -0.04 115.29 117.49 1wff s HIS 27 Ca -0.03 -0.09 -0.15 0.00 -0.80 0.00 0.00 55.06 53.99 1wff s HIS 27 Cb -0.12 -0.27 -0.13 0.00 -1.43 0.00 0.00 32.58 30.63 1wff s HIS 27 CO -0.18 -0.01 -0.20 0.00 -2.00 0.00 0.00 174.74 172.35 1wff n PHE 29 N -1.41 0.39 0.00 0.00 7.35 -0.19 -3.31 117.46 120.29 1wff n PHE 29 Ca 0.05 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1wff n PHE 29 Cb 0.41 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.20 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 -2.83 0.24 -0.08 -2.13 7.94 -1.26 -4.60 117.00 114.28 1wff n LEU 30 Ca -0.25 0.69 -0.22 0.00 -1.11 0.00 0.00 56.01 55.13 1wff n LEU 30 Cb 1.07 -0.41 -0.12 0.00 0.53 0.00 0.00 43.42 44.49 1wff n LEU 30 CO 0.44 -0.41 -0.62 0.00 -1.11 0.00 0.00 177.39 175.69 1wff n GLY 32 N 1.55 1.86 3.83 0.00 0.00 -1.21 -5.02 105.19 106.19 1wff n GLY 32 Ca -0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.12 3.39 0.19 1.61 2.20 -1.26 -4.52 119.74 121.23 1wff s LYS 33 Ca 0.00 0.99 -0.32 0.00 -0.36 0.00 0.00 55.97 56.28 1wff s LYS 33 Cb 0.00 -2.05 -0.12 0.00 -1.51 0.00 0.00 37.83 34.15 1wff s LYS 33 CO 0.00 -0.73 1.73 1.63 -0.36 0.00 0.00 175.35 177.62 1wff n LYS 34 N -2.39 2.74 0.00 4.03 4.76 -1.26 -0.36 118.16 125.68 1wff n LYS 34 Ca 0.07 0.99 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 1wff n LYS 34 Cb 0.54 -2.84 0.00 0.00 -1.84 0.00 0.00 35.03 30.88 1wff n LYS 34 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1wff n THR 35 N 4.05 0.00 -0.18 -0.18 -2.24 -0.92 -4.79 114.28 110.02 1wff n THR 35 Ca 0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.92 1wff n THR 35 Cb 0.35 -0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1wff n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wff n GLY 36 N 1.53 -1.04 3.15 3.38 0.00 0.94 -0.03 105.19 113.11 1wff n GLY 36 Ca 0.00 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 1wff n GLY 36 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wff n LEU 37 N -4.64 -2.95 -0.08 0.99 7.94 -1.26 -4.37 117.00 112.64 1wff n LEU 37 Ca 0.03 0.04 0.21 0.00 -1.11 0.00 0.00 56.01 55.19 1wff n LEU 37 Cb 0.16 -0.79 0.35 0.00 0.53 0.00 0.00 43.42 43.67 1wff n LEU 37 CO -0.07 -3.50 1.20 0.00 -1.11 0.00 0.00 177.39 173.92 1wff h ALA 38 N -1.42 2.71 -0.92 1.96 0.00 -2.02 0.44 119.26 120.01 1wff h ALA 38 Ca -0.45 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.58 1wff h ALA 38 Cb 1.35 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 1wff h ALA 38 CO 0.29 -1.53 0.53 1.15 0.00 0.00 0.00 179.25 179.68 1wff h THR 39 N 0.00 0.78 -0.43 0.00 2.02 -1.82 -3.42 112.91 110.04 1wff h THR 39 Ca 0.37 -0.26 -0.56 0.00 0.77 0.00 0.00 66.41 66.73 1wff h THR 39 Cb 2.64 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1wff h THR 39 CO -0.00 0.14 0.60 -1.54 0.37 0.00 0.00 175.52 175.08 1wff n SER 40 N -4.77 0.69 -4.78 4.18 3.41 0.15 -4.70 113.62 107.80 1wff n SER 40 Ca 0.19 0.67 -0.28 0.00 -0.26 0.00 0.00 58.87 59.19 1wff n SER 40 Cb 0.44 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1wff n SER 40 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1wff s PHE 41 N 2.66 2.11 -0.03 7.33 0.08 -1.25 -5.07 117.98 123.82 1wff s PHE 41 Ca 0.73 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 57.03 1wff s PHE 41 Cb -0.99 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1wff s PHE 41 CO 0.50 0.06 -0.10 -1.21 -0.10 0.00 0.00 175.22 174.37 1wff s GLU 42 N -3.97 1.11 0.31 0.44 8.01 -1.26 -4.13 118.70 119.21 1wff s GLU 42 Ca 0.27 -0.36 0.07 0.00 0.01 0.00 0.00 54.97 54.97 1wff s GLU 42 Cb 0.02 -1.02 -0.03 0.00 -4.31 0.00 0.00 34.13 28.80 1wff s GLU 42 CO 0.16 0.13 0.27 0.00 0.01 0.00 0.00 175.26 175.83 1wff h ARG 44 N 1.30 0.40 -0.12 0.00 2.47 -1.93 0.21 114.38 116.70 1wff h ARG 44 Ca -0.46 -0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.04 1wff h ARG 44 Cb 1.25 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1wff h ARG 44 CO 0.59 0.26 -0.75 0.00 0.56 0.00 0.00 179.97 180.64 1wff n GLY 46 N 0.62 1.39 3.65 0.00 0.00 0.73 -5.05 105.19 106.52 1wff n GLY 46 Ca -0.06 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1wff n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wff n ASN 47 N 0.00 2.05 -4.71 1.61 3.02 -1.26 -4.44 115.26 111.54 1wff n ASN 47 Ca 0.00 1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 55.34 1wff n ASN 47 Cb 0.00 -1.40 -0.05 0.00 -0.61 0.00 0.00 39.78 37.72 1wff n ASN 47 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1wff s ASN 48 N -0.45 6.80 0.30 6.41 2.47 -1.26 -3.57 114.94 125.64 1wff s ASN 48 Ca 0.57 0.96 0.05 0.00 0.42 0.00 0.00 52.86 54.86 1wff s ASN 48 Cb -0.62 -2.35 -0.06 0.00 -1.45 0.00 0.00 41.25 36.77 1wff s ASN 48 CO 0.61 -0.10 0.01 -0.36 -3.72 0.00 0.00 177.10 173.54 1wff s PHE 49 N 0.95 1.91 0.77 0.43 0.08 -1.26 -1.02 117.98 119.84 1wff s PHE 49 Ca 0.31 -0.87 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 1wff s PHE 49 Cb -0.16 -1.19 0.06 0.00 -0.57 0.00 0.00 43.02 41.16 1wff s PHE 49 CO 0.13 0.09 1.11 0.00 -0.10 0.00 0.00 175.22 176.46 1wff h ALA 51 N -0.95 2.41 0.07 0.00 0.00 -1.91 2.04 119.26 120.93 1wff h ALA 51 Ca -0.46 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 1wff h ALA 51 Cb 1.28 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1wff h ALA 51 CO 0.62 -0.79 -1.27 1.03 0.00 0.00 0.00 179.25 178.85 1wff h SER 52 N 0.00 0.24 -0.26 0.00 0.87 -1.99 -3.31 113.55 109.10 1wff h SER 52 Ca 0.27 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1wff h SER 52 Cb 1.25 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1wff h SER 52 CO -0.00 1.23 -0.00 1.41 -0.53 0.00 0.00 176.83 178.94 1wff n HIS 53 N -3.41 0.92 0.23 2.24 -0.00 0.67 -4.57 115.22 111.29 1wff n HIS 53 Ca -0.08 -0.96 0.10 0.00 -0.00 0.00 0.00 57.72 56.78 1wff n HIS 53 Cb 1.00 -0.33 0.50 0.00 -0.00 0.00 0.00 29.99 31.17 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 1.63 0.00 -6.67 -0.41 0.11 0.30 -3.40 114.38 105.94 1wff h ARG 54 Ca 0.02 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.60 1wff h ARG 54 Cb 1.45 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.52 1wff h ARG 54 CO 0.23 0.22 0.36 0.71 0.10 0.00 0.00 179.97 181.59 1wff s TYR 55 N -3.76 3.90 0.14 4.08 1.51 -1.26 -4.70 117.35 117.26 1wff s TYR 55 Ca -0.00 1.86 -0.27 0.00 -1.01 0.00 0.00 57.07 57.65 1wff s TYR 55 Cb 0.11 -3.02 -0.03 0.00 -0.11 0.00 0.00 41.96 38.91 1wff s TYR 55 CO 0.63 0.32 1.59 0.00 -1.11 0.00 0.00 175.55 176.99 1wff h ALA 56 N 4.76 -0.46 -0.88 3.71 0.00 -1.96 -1.06 119.26 123.38 1wff h ALA 56 Ca -0.44 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.62 1wff h ALA 56 Cb 1.20 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 1wff h ALA 56 CO 0.70 -0.85 0.49 1.05 0.00 0.00 0.00 179.25 180.63 1wff h GLU 57 N -0.42 0.71 -1.04 0.00 -0.00 -1.93 0.15 114.58 112.05 1wff h GLU 57 Ca 0.10 -0.04 0.33 0.00 -0.00 0.00 0.00 59.36 59.74 1wff h GLU 57 Cb 0.59 -0.16 -0.14 0.00 -0.00 0.00 0.00 28.75 29.04 1wff h GLU 57 CO -0.42 0.47 0.61 0.00 -0.00 0.00 0.00 179.01 179.68 1wff h ALA 58 N 1.53 2.06 -0.46 1.06 0.00 -1.52 0.19 119.26 122.13 1wff h ALA 58 Ca 0.46 0.17 -0.33 0.00 0.00 0.00 0.00 54.91 55.20 1wff h ALA 58 Cb 0.57 0.14 -0.26 0.00 0.00 0.00 0.00 17.79 18.25 1wff h ALA 58 CO -0.32 -0.66 -0.67 -2.39 0.00 0.00 0.00 179.25 175.21 1wff n HIS 59 N -4.97 1.66 -4.02 0.00 1.44 -0.31 -4.98 115.22 104.05 1wff n HIS 59 Ca 0.32 -1.94 -0.33 0.00 -2.01 0.00 0.00 57.72 53.76 1wff n HIS 59 Cb 1.02 -0.32 -0.03 0.00 0.12 0.00 0.00 29.99 30.78 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 -0.88 -0.41 3.09 -1.39 0.00 0.66 -4.69 105.19 101.57 1wff n GLY 60 Ca 0.34 0.21 -0.45 0.00 0.00 0.00 0.00 46.02 46.13 1wff n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wff h ASN 62 N 1.14 0.54 -0.78 0.00 7.08 -1.91 -3.46 115.58 118.18 1wff h ASN 62 Ca -0.28 -0.93 -0.67 0.00 -3.08 0.00 0.00 56.30 51.34 1wff h ASN 62 Cb 1.30 -0.18 -0.03 0.00 -2.08 0.00 0.00 38.32 37.34 1wff h ASN 62 CO 0.53 1.80 1.44 0.00 -2.08 0.00 0.00 177.43 179.11 1wff n TYR 63 N -3.60 1.41 -1.82 4.14 9.36 -1.26 -4.82 117.16 120.56 1wff n TYR 63 Ca -0.27 0.39 -0.42 0.00 3.32 0.00 0.00 57.90 60.92 1wff n TYR 63 Cb 1.05 -2.47 -0.03 0.00 -0.63 0.00 0.00 39.34 37.26 1wff n TYR 63 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wff s ASP 64 N 7.41 6.41 -0.59 2.98 2.15 -1.26 -4.91 116.67 128.86 1wff s ASP 64 Ca 1.13 2.34 0.05 0.00 0.43 0.00 0.00 52.55 56.50 1wff s ASP 64 Cb -1.00 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 39.44 1wff s ASP 64 CO 0.52 -1.13 1.02 0.00 -0.17 0.00 0.00 175.17 175.41 1wff n TYR 65 N 7.95 3.92 -0.04 -5.34 0.18 -1.26 -4.83 117.16 117.74 1wff n TYR 65 Ca 0.20 -3.81 -0.15 0.00 1.88 0.00 0.00 57.90 56.03 1wff n TYR 65 Cb 0.42 -0.48 -0.12 0.00 -0.38 0.00 0.00 39.34 38.78 1wff n TYR 65 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1wff h LYS 66 N 3.00 0.09 0.00 -3.48 1.79 -1.91 -3.18 116.57 112.88 1wff h LYS 66 Ca 0.18 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1wff h LYS 66 Cb 0.54 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1wff h LYS 66 CO 0.85 0.88 0.03 0.66 -1.08 0.00 0.00 179.45 180.79 1wff h SER 67 N -0.65 0.00 -2.24 0.86 4.64 -1.92 -3.42 113.55 110.82 1wff h SER 67 Ca -0.02 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.82 1wff h SER 67 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1wff h SER 67 CO 0.03 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.53 1wff s ALA 68 N -3.67 3.85 0.00 5.18 0.00 -1.20 -5.07 121.76 120.85 1wff s ALA 68 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1wff s ALA 68 Cb 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1wff s ALA 68 CO 0.24 0.28 0.19 0.41 0.00 0.00 0.00 175.76 176.88 1wff n GLY 69 N -1.25 -1.73 2.87 0.00 0.00 -1.26 -4.61 105.19 99.22 1wff n GLY 69 Ca -0.09 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1wff n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wff n ARG 70 N -0.34 0.00 -3.67 1.61 1.74 -1.26 -4.96 116.66 109.78 1wff n ARG 70 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1wff n ARG 70 Cb 0.00 -0.85 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 1wff n ARG 70 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1wff s ARG 71 N -0.85 0.56 -0.20 5.56 1.70 -1.26 -4.62 118.95 119.85 1wff s ARG 71 Ca 0.54 0.93 -0.33 0.00 -0.47 0.00 0.00 55.73 56.39 1wff s ARG 71 Cb -0.75 0.12 0.15 0.00 -0.57 0.00 0.00 34.95 33.90 1wff s ARG 71 CO 0.49 -0.13 1.20 -0.47 -1.08 0.00 0.00 175.30 175.30 1wff s TYR 72 N 1.18 -0.15 0.12 5.89 6.14 -1.26 -5.15 117.35 124.12 1wff s TYR 72 Ca -0.07 0.14 -0.00 0.00 0.64 0.00 0.00 57.07 57.78 1wff s TYR 72 Cb -0.06 0.50 -0.04 0.00 0.42 0.00 0.00 41.96 42.78 1wff s TYR 72 CO -0.11 -0.20 0.01 -0.51 0.64 0.00 0.00 175.55 175.38 1wff s LEU 73 N -1.88 2.10 -0.01 6.97 1.43 -1.26 -4.93 118.68 121.10 1wff s LEU 73 Ca 0.08 -1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1wff s LEU 73 Cb -0.01 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.36 1wff s LEU 73 CO -0.05 -0.63 0.12 -0.70 0.23 0.00 0.00 176.35 175.32 1wff s GLU 74 N -3.96 0.41 -0.74 1.70 2.56 -1.26 -5.10 118.70 112.31 1wff s GLU 74 Ca 0.19 -0.31 -0.15 0.00 0.00 0.00 0.00 54.97 54.70 1wff s GLU 74 Cb 0.07 0.17 0.18 0.00 2.00 0.00 0.00 34.13 36.55 1wff s GLU 74 CO -0.01 -0.09 0.70 -1.83 -0.56 0.00 0.00 175.26 173.47 1wff s GLU 75 N -1.12 3.40 -0.06 4.30 -1.05 -1.26 -4.99 118.70 117.91 1wff s GLU 75 Ca -0.12 -2.17 -0.30 0.00 -0.15 0.00 0.00 54.97 52.23 1wff s GLU 75 Cb -0.07 -4.40 0.09 0.00 -0.44 0.00 0.00 34.13 29.31 1wff s GLU 75 CO 0.01 -1.33 0.77 0.00 0.95 0.00 0.00 175.26 175.66 1wff s ALA 76 N 0.78 -1.81 -0.89 -0.84 0.00 -1.26 -5.09 121.76 112.66 1wff s ALA 76 Ca 0.14 1.32 -0.34 0.00 0.00 0.00 0.00 51.96 53.08 1wff s ALA 76 Cb -0.16 -0.12 -0.21 0.00 0.00 0.00 0.00 23.12 22.62 1wff s ALA 76 CO -0.05 -0.40 2.57 0.27 0.00 0.00 0.00 175.76 178.16 1wff n ASN 77 N 0.71 0.40 -4.65 0.00 0.23 -1.26 -4.80 115.26 105.89 1wff n ASN 77 Ca -0.16 0.29 -0.43 0.00 -0.53 0.00 0.00 54.58 53.76 1wff n ASN 77 Cb 0.58 -0.92 -0.03 0.00 -2.08 0.00 0.00 39.78 37.34 1wff n ASN 77 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1wff s PRO 78 N 8.32 4.02 -0.13 -0.53 0.04 -1.26 -5.01 135.00 140.45 1wff s PRO 78 Ca 1.32 1.85 -0.04 0.00 0.04 0.00 0.00 61.00 64.17 1wff s PRO 78 Cb -1.31 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 29.23 1wff s PRO 78 CO 0.53 -1.02 0.00 0.14 0.04 0.00 0.00 177.00 176.69 1wff s VAL 79 N 4.45 4.29 0.02 -0.36 -7.23 -1.26 -5.11 120.40 115.20 1wff s VAL 79 Ca 0.69 -0.23 0.06 0.00 -1.81 0.00 0.00 61.98 60.69 1wff s VAL 79 Cb -0.27 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1wff s VAL 79 CO 0.26 0.54 -0.18 -0.94 -0.31 0.00 0.00 175.10 174.48 1wff s SER 80 N -0.20 2.09 -0.40 4.85 1.04 -1.26 -4.96 113.70 114.86 1wff s SER 80 Ca 0.05 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1wff s SER 80 Cb -0.12 -0.19 0.16 0.00 0.10 0.00 0.00 66.02 65.97 1wff s SER 80 CO 0.02 0.15 0.36 -0.83 0.98 0.00 0.00 173.24 173.92 1wff s GLY 81 N -0.86 0.63 0.38 7.32 0.00 -1.26 -5.13 107.32 108.39 1wff s GLY 81 Ca 0.06 -1.83 -0.26 0.00 0.00 0.00 0.00 44.72 42.69 1wff s GLY 81 CO 0.01 2.40 1.20 2.56 0.00 0.00 0.00 173.10 179.26 1wff s PRO 82 N 0.63 4.14 0.10 2.90 0.04 -1.26 -5.05 135.00 136.49 1wff s PRO 82 Ca 0.26 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.28 1wff s PRO 82 Cb -0.06 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1wff s PRO 82 CO -0.10 -0.28 -0.13 -1.54 0.04 0.00 0.00 177.00 174.99 1wff s SER 83 N -0.97 1.79 -0.09 6.66 1.04 -1.26 -5.15 113.70 115.72 1wff s SER 83 Ca 0.55 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 56.26 1wff s SER 83 Cb -0.33 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1wff s SER 83 CO 0.42 -0.14 -0.19 -0.55 0.98 0.00 0.00 173.24 173.76 1wff s SER 84 N -2.21 3.53 0.00 7.02 0.15 -1.26 -5.33 113.70 115.61 1wff s SER 84 Ca 0.05 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1wff s SER 84 Cb -0.06 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1wff s SER 84 CO 0.02 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.28