#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 2.24 -0.15 1.61 1.04 -1.26 -5.07 113.70 112.11 1wff s SER 2 Ca 0.00 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 55.56 1wff s SER 2 Cb 0.00 -0.10 -0.07 0.00 0.10 0.00 0.00 66.02 65.95 1wff s SER 2 CO 0.00 -0.08 -0.20 -0.24 0.98 0.00 0.00 173.24 173.70 1wff n SER 3 N 0.59 1.09 0.00 7.02 2.88 -1.26 -5.15 113.62 118.79 1wff n SER 3 Ca -0.16 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wff n SER 3 Cb 0.56 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wff n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wff n GLY 4 N 2.05 -0.42 3.60 0.46 0.00 -1.26 -5.12 105.19 104.51 1wff n GLY 4 Ca -0.30 -2.25 -0.08 0.00 0.00 0.00 0.00 46.02 43.39 1wff n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wff s SER 5 N -2.31 -0.26 0.27 1.61 1.04 -1.26 -5.19 113.70 107.60 1wff s SER 5 Ca 0.00 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.73 1wff s SER 5 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1wff s SER 5 CO 0.00 -0.23 0.24 -0.55 0.98 0.00 0.00 173.24 173.67 1wff s SER 6 N -1.03 0.80 0.11 7.02 0.15 -1.26 -5.18 113.70 114.30 1wff s SER 6 Ca 0.02 -1.52 -0.26 0.00 0.70 0.00 0.00 55.95 54.90 1wff s SER 6 Cb -0.01 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.86 1wff s SER 6 CO -0.02 -0.98 0.82 -0.83 1.20 0.00 0.00 173.24 173.42 1wff s GLY 7 N -3.24 -0.40 -0.02 9.45 0.00 -1.26 -5.17 107.32 106.68 1wff s GLY 7 Ca 0.38 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.60 1wff s GLY 7 CO 0.19 0.16 0.04 -0.42 0.00 0.00 0.00 173.10 173.07 1wff s ILE 8 N -3.41 -0.00 0.28 0.90 1.01 -1.26 -5.16 121.20 113.56 1wff s ILE 8 Ca 0.07 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1wff s ILE 8 Cb -0.02 -0.07 -0.03 0.00 0.01 0.00 0.00 42.46 42.35 1wff s ILE 8 CO -0.05 0.00 0.21 -1.38 0.00 0.00 0.00 174.94 173.72 1wff s HIS 9 N 0.08 1.53 -0.08 3.97 -3.43 -1.26 -5.18 115.29 110.93 1wff s HIS 9 Ca -0.01 -1.53 -0.31 0.00 -0.80 0.00 0.00 55.06 52.41 1wff s HIS 9 Cb -0.01 -0.68 0.12 0.00 -1.43 0.00 0.00 32.58 30.57 1wff s HIS 9 CO -0.00 -0.74 1.07 -1.01 -2.00 0.00 0.00 174.74 172.05 1wff s HIS 10 N -3.71 -0.21 -0.15 0.38 3.76 -1.26 -5.18 115.29 108.92 1wff s HIS 10 Ca 0.39 0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 55.30 1wff s HIS 10 Cb 0.04 0.54 0.05 0.00 1.11 0.00 0.00 32.58 34.32 1wff s HIS 10 CO 0.21 -0.39 0.39 -1.17 -0.85 0.00 0.00 174.74 172.93 1wff s LEU 11 N -2.42 0.21 0.07 0.89 2.96 -1.26 -5.14 118.68 113.99 1wff s LEU 11 Ca 0.08 0.82 -0.31 0.00 -0.22 0.00 0.00 54.13 54.50 1wff s LEU 11 Cb -0.01 1.29 -0.07 0.00 0.50 0.00 0.00 46.19 47.91 1wff s LEU 11 CO -0.06 -0.17 1.39 -2.16 -1.32 0.00 0.00 176.35 174.04 1wff s PRO 12 N 0.87 4.31 1.04 0.98 0.04 -1.26 -5.02 135.00 135.96 1wff s PRO 12 Ca -0.05 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 1wff s PRO 12 Cb -0.06 -3.37 0.26 0.00 0.04 0.00 0.00 34.50 31.37 1wff s PRO 12 CO -0.07 -0.48 0.93 -0.35 0.04 0.00 0.00 177.00 177.07 1wff n PRO 13 N 4.46 -2.84 -5.09 0.56 -0.04 -1.26 -5.06 135.00 125.73 1wff n PRO 13 Ca 0.12 -1.48 -0.32 0.00 -0.04 0.00 0.00 63.50 61.78 1wff n PRO 13 Cb 0.43 -1.39 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 1wff n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wff s VAL 14 N -2.67 2.45 0.04 0.52 1.01 -1.26 -5.13 120.40 115.36 1wff s VAL 14 Ca 0.60 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1wff s VAL 14 Cb -0.06 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1wff s VAL 14 CO 0.46 0.56 -0.11 -0.54 0.00 0.00 0.00 175.10 175.47 1wff s LYS 15 N -0.12 0.75 -0.10 2.72 1.02 -1.26 -5.15 119.74 117.60 1wff s LYS 15 Ca -0.04 -0.73 -0.10 0.00 0.02 0.00 0.00 55.97 55.12 1wff s LYS 15 Cb -0.14 -0.69 0.03 0.00 -0.52 0.00 0.00 37.83 36.50 1wff s LYS 15 CO 0.04 0.16 0.29 0.00 -0.92 0.00 0.00 175.35 174.92 1wff s ALA 16 N -0.98 -0.71 0.84 5.17 0.00 -1.26 -5.16 121.76 119.66 1wff s ALA 16 Ca -0.02 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1wff s ALA 16 Cb -0.08 -0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.74 1wff s ALA 16 CO 0.01 -0.15 1.09 -1.25 0.00 0.00 0.00 175.76 175.46 1wff s PRO 17 N -0.06 1.67 -0.13 0.00 0.04 -1.26 -5.07 135.00 130.20 1wff s PRO 17 Ca -0.02 0.97 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 1wff s PRO 17 Cb -0.03 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.72 1wff s PRO 17 CO 0.01 -2.00 0.09 -0.51 0.04 0.00 0.00 177.00 174.64 1wff s LEU 18 N -6.10 0.23 0.02 -3.56 1.43 -1.26 -5.14 118.68 104.30 1wff s LEU 18 Ca 0.62 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1wff s LEU 18 Cb -0.18 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 1wff s LEU 18 CO 0.57 -0.31 0.03 0.00 0.23 0.00 0.00 176.35 176.86 1wff s GLN 19 N 2.17 0.39 -0.04 1.70 -2.07 -1.26 -5.16 119.66 115.39 1wff s GLN 19 Ca 0.03 -0.59 0.02 0.00 -1.82 0.00 0.00 55.36 53.00 1wff s GLN 19 Cb -0.15 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 31.93 1wff s GLN 19 CO -0.07 -0.08 -0.08 0.99 -1.32 0.00 0.00 175.29 174.73 1wff s THR 20 N -1.63 0.78 0.08 3.63 2.01 -1.26 -5.15 115.64 114.11 1wff s THR 20 Ca -0.14 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1wff s THR 20 Cb -0.08 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1wff s THR 20 CO -0.01 0.26 0.14 -0.54 -0.69 0.00 0.00 174.62 173.78 1wff s LYS 21 N 0.51 0.79 -0.01 4.92 -0.14 -1.26 -5.17 119.74 119.39 1wff s LYS 21 Ca -0.08 -1.03 0.01 0.00 -1.36 0.00 0.00 55.97 53.50 1wff s LYS 21 Cb -0.12 0.31 0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1wff s LYS 21 CO 0.01 -0.23 -0.03 -1.59 -0.76 0.00 0.00 175.35 172.75 1wff s LYS 22 N -3.88 0.35 0.02 1.68 0.00 -1.26 -5.15 119.74 111.51 1wff s LYS 22 Ca 0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 55.97 55.64 1wff s LYS 22 Cb 0.06 -0.38 0.11 0.00 0.00 0.00 0.00 37.83 37.62 1wff s LYS 22 CO -0.10 0.04 1.21 -1.59 0.00 0.00 0.00 175.35 174.90 1wff s LYS 23 N 0.17 0.59 -0.07 1.78 0.00 -1.26 -5.13 119.74 115.82 1wff s LYS 23 Ca -0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 55.97 55.33 1wff s LYS 23 Cb -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 37.83 37.94 1wff s LYS 23 CO -0.00 -0.27 1.49 0.42 0.00 0.00 0.00 175.35 176.99 1wff s ILE 24 N -2.60 3.79 -0.91 3.79 1.09 -1.26 -4.96 121.20 120.14 1wff s ILE 24 Ca 0.14 1.01 -0.14 0.00 -1.10 0.00 0.00 60.65 60.57 1wff s ILE 24 Cb 0.03 -3.65 0.21 0.00 -1.06 0.00 0.00 42.46 37.99 1wff s ILE 24 CO -0.02 -0.07 0.92 -0.32 -0.10 0.00 0.00 174.94 175.34 1wff s MET 25 N 3.54 3.74 -0.09 2.79 1.75 -1.26 -4.89 119.30 124.88 1wff s MET 25 Ca 0.66 -2.50 -0.04 0.00 -1.25 0.00 0.00 55.69 52.56 1wff s MET 25 Cb -0.30 -4.56 0.05 0.00 2.84 0.00 0.00 34.83 32.86 1wff s MET 25 CO 0.25 -1.38 0.21 0.15 -0.65 0.00 0.00 175.02 173.60 1wff s LYS 26 N 0.36 0.14 -0.02 4.11 1.02 -1.25 -5.11 119.74 119.00 1wff s LYS 26 Ca 0.24 0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.74 1wff s LYS 26 Cb -0.09 -0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.09 1wff s LYS 26 CO -0.08 -0.20 0.03 -3.38 -0.92 0.00 0.00 175.35 170.80 1wff s HIS 27 N 1.52 -0.02 0.48 3.18 -3.43 -1.26 -0.15 115.29 115.61 1wff s HIS 27 Ca -0.06 0.11 -0.15 0.00 -0.80 0.00 0.00 55.06 54.16 1wff s HIS 27 Cb -0.11 -0.07 -0.12 0.00 -1.43 0.00 0.00 32.58 30.84 1wff s HIS 27 CO -0.07 -0.05 -0.19 0.00 -2.00 0.00 0.00 174.74 172.43 1wff n PHE 29 N -1.36 0.21 0.06 0.00 7.35 -0.37 -3.26 117.46 120.08 1wff n PHE 29 Ca 0.05 0.07 -0.03 0.00 -0.76 0.00 0.00 57.45 56.79 1wff n PHE 29 Cb 0.40 -0.95 -0.01 0.00 0.35 0.00 0.00 39.48 39.27 1wff n PHE 29 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1wff h LEU 30 N 0.00 -0.14 0.02 -2.13 5.85 -1.91 -3.41 115.31 113.60 1wff h LEU 30 Ca -0.40 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.00 1wff h LEU 30 Cb 1.96 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.98 1wff h LEU 30 CO 0.03 -0.05 -1.82 0.00 -0.34 0.00 0.00 178.44 176.27 1wff n GLY 32 N 1.56 1.85 3.70 0.00 0.00 -1.20 -5.03 105.19 106.06 1wff n GLY 32 Ca -0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.21 4.44 -0.45 1.61 2.20 -1.26 -4.57 119.74 121.50 1wff s LYS 33 Ca 0.00 1.57 -0.45 0.00 -0.36 0.00 0.00 55.97 56.73 1wff s LYS 33 Cb 0.00 -3.48 -0.19 0.00 -1.51 0.00 0.00 37.83 32.65 1wff s LYS 33 CO 0.00 -0.27 1.64 1.63 -0.36 0.00 0.00 175.35 177.99 1wff n LYS 34 N 4.52 0.29 -4.00 4.03 4.76 -1.26 -1.66 118.16 124.84 1wff n LYS 34 Ca 0.09 0.11 -0.31 0.00 -2.87 0.00 0.00 58.31 55.32 1wff n LYS 34 Cb 0.48 -1.65 -0.15 0.00 -1.84 0.00 0.00 35.03 31.87 1wff n LYS 34 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wff s THR 35 N 3.18 1.95 0.00 -0.18 -4.23 0.78 -4.83 115.64 112.31 1wff s THR 35 Ca 1.04 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1wff s THR 35 Cb -1.39 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1wff s THR 35 CO 0.78 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1wff n GLY 36 N 4.47 1.67 0.84 3.99 0.00 -1.26 -3.97 105.19 110.93 1wff n GLY 36 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.72 0.11 0.99 7.94 -1.26 -4.29 117.00 121.21 1wff n LEU 37 Ca 0.00 0.11 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 1wff n LEU 37 Cb 0.00 -0.26 -0.08 0.00 0.53 0.00 0.00 43.42 43.61 1wff n LEU 37 CO 0.00 -0.18 0.62 0.00 -1.11 0.00 0.00 177.39 176.72 1wff h ALA 38 N -0.20 -0.28 0.00 1.96 0.00 -2.03 -2.89 119.26 115.83 1wff h ALA 38 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wff h ALA 38 Cb 0.77 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wff h ALA 38 CO -0.05 -0.51 0.00 -2.37 0.00 0.00 0.00 179.25 176.32 1wff n THR 39 N -5.08 0.55 -3.32 0.00 5.66 -1.26 -4.73 114.28 106.10 1wff n THR 39 Ca -0.09 0.14 -0.38 0.00 -3.05 0.00 0.00 64.05 60.66 1wff n THR 39 Cb 0.23 -0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 68.17 1wff n THR 39 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wff s SER 40 N -2.96 6.81 0.11 1.09 1.04 -1.09 -3.03 113.70 115.67 1wff s SER 40 Ca 0.11 0.96 0.04 0.00 0.48 0.00 0.00 55.95 57.54 1wff s SER 40 Cb 0.14 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 1wff s SER 40 CO 0.38 0.11 -0.10 -0.36 0.98 0.00 0.00 173.24 174.25 1wff s PHE 41 N -0.04 1.10 -0.13 5.02 0.40 -1.22 -4.81 117.98 118.29 1wff s PHE 41 Ca 0.27 -0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1wff s PHE 41 Cb -0.16 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 1wff s PHE 41 CO 0.13 0.00 -0.06 -2.00 0.70 0.00 0.00 175.22 174.00 1wff s GLU 42 N -3.26 3.46 0.34 0.44 2.12 -1.26 -3.32 118.70 117.22 1wff s GLU 42 Ca 0.10 -0.55 0.04 0.00 0.36 0.00 0.00 54.97 54.92 1wff s GLU 42 Cb 0.00 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 1wff s GLU 42 CO -0.01 0.32 0.50 0.00 -0.54 0.00 0.00 175.26 175.53 1wff h ARG 44 N 0.82 0.48 -0.04 0.00 2.47 -1.93 0.33 114.38 116.51 1wff h ARG 44 Ca -0.48 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.07 1wff h ARG 44 Cb 1.24 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 1wff h ARG 44 CO 0.57 0.31 -0.61 0.00 0.56 0.00 0.00 179.97 180.81 1wff n GLY 46 N 0.25 1.49 3.67 0.00 0.00 0.12 -5.04 105.19 105.67 1wff n GLY 46 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 0.04 2.39 -4.65 1.61 3.02 -1.26 -4.42 115.26 111.99 1wff n ASN 47 Ca 0.00 1.19 -0.39 0.00 -0.03 0.00 0.00 54.58 55.35 1wff n ASN 47 Cb 0.00 -1.43 -0.07 0.00 -0.61 0.00 0.00 39.78 37.68 1wff n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wff s ASN 48 N -0.29 6.56 0.40 6.41 4.22 -1.26 -3.20 114.94 127.78 1wff s ASN 48 Ca 0.58 0.67 0.07 0.00 -2.14 0.00 0.00 52.86 52.05 1wff s ASN 48 Cb -0.61 -2.30 -0.08 0.00 1.28 0.00 0.00 41.25 39.54 1wff s ASN 48 CO 0.60 -0.21 -0.00 -0.36 -2.04 0.00 0.00 177.10 175.09 1wff s PHE 49 N 1.78 2.50 0.78 1.54 0.08 -1.21 -1.24 117.98 122.21 1wff s PHE 49 Ca 0.24 -0.66 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 1wff s PHE 49 Cb -0.15 -1.73 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1wff s PHE 49 CO 0.10 0.46 1.12 0.00 -0.10 0.00 0.00 175.22 176.80 1wff h ALA 51 N -0.96 2.23 0.09 0.00 0.00 -1.93 1.91 119.26 120.60 1wff h ALA 51 Ca -0.46 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.16 1wff h ALA 51 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1wff h ALA 51 CO 0.63 -0.67 -1.33 1.03 0.00 0.00 0.00 179.25 178.91 1wff h SER 52 N 0.00 0.29 -0.27 0.00 0.87 -1.91 -3.32 113.55 109.21 1wff h SER 52 Ca 0.22 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1wff h SER 52 Cb 1.09 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1wff h SER 52 CO -0.00 1.29 -0.01 1.41 -0.53 0.00 0.00 176.83 178.99 1wff n HIS 53 N -3.43 0.92 0.18 2.24 -0.00 0.51 -4.60 115.22 111.04 1wff n HIS 53 Ca -0.10 -1.10 0.02 0.00 -0.00 0.00 0.00 57.72 56.54 1wff n HIS 53 Cb 1.02 -0.36 0.32 0.00 -0.00 0.00 0.00 29.99 30.97 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 1.41 0.00 -6.90 -0.41 0.11 0.27 -3.40 114.38 105.47 1wff h ARG 54 Ca 0.07 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.67 1wff h ARG 54 Cb 1.48 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.57 1wff h ARG 54 CO 0.26 0.43 0.40 0.71 0.10 0.00 0.00 179.97 181.87 1wff s TYR 55 N -3.96 3.49 0.10 4.08 2.02 -1.26 -4.67 117.35 117.15 1wff s TYR 55 Ca -0.02 1.71 -0.34 0.00 -0.37 0.00 0.00 57.07 58.05 1wff s TYR 55 Cb 0.13 -3.09 -0.14 0.00 -0.40 0.00 0.00 41.96 38.46 1wff s TYR 55 CO 0.72 -0.31 1.57 0.00 -1.57 0.00 0.00 175.55 175.95 1wff h ALA 56 N 3.04 -0.97 -0.97 3.71 0.00 -1.97 -1.45 119.26 120.66 1wff h ALA 56 Ca -0.47 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.52 1wff h ALA 56 Cb 1.21 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 19.74 1wff h ALA 56 CO 0.64 -1.11 0.62 1.05 0.00 0.00 0.00 179.25 180.45 1wff h GLU 57 N -0.79 0.55 -0.94 0.00 4.11 -1.93 0.09 114.58 115.68 1wff h GLU 57 Ca -0.01 -0.03 0.25 0.00 0.07 0.00 0.00 59.36 59.64 1wff h GLU 57 Cb 0.77 -0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.76 1wff h GLU 57 CO -0.24 0.37 0.45 0.00 0.07 0.00 0.00 179.01 179.66 1wff h ALA 58 N 1.62 1.60 -0.48 1.06 0.00 -1.58 -0.23 119.26 121.25 1wff h ALA 58 Ca 0.53 0.17 -0.34 0.00 0.00 0.00 0.00 54.91 55.27 1wff h ALA 58 Cb 1.08 0.15 -0.26 0.00 0.00 0.00 0.00 17.79 18.76 1wff h ALA 58 CO -0.28 -0.39 -0.60 -2.39 0.00 0.00 0.00 179.25 175.60 1wff n HIS 59 N -5.04 1.73 -3.99 0.00 1.44 -0.11 -4.96 115.22 104.28 1wff n HIS 59 Ca 0.25 -1.97 -0.33 0.00 -2.01 0.00 0.00 57.72 53.67 1wff n HIS 59 Cb 0.75 -0.36 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 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 -0.89 -0.44 3.28 -1.39 0.00 -0.10 -4.74 105.19 100.92 1wff n GLY 60 Ca 0.36 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 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 2.41 2.48 -4.06 0.00 4.13 -1.26 -4.98 115.26 113.98 1wff n ASN 62 Ca 0.10 -0.09 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 1wff n ASN 62 Cb 0.43 -0.31 -0.02 0.00 -1.54 0.00 0.00 39.78 38.34 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wff n TYR 63 N -3.09 -0.81 -2.90 3.10 9.36 -1.26 -4.81 117.16 116.75 1wff n TYR 63 Ca -0.34 0.82 -0.44 0.00 3.32 0.00 0.00 57.90 61.27 1wff n TYR 63 Cb 0.86 -1.78 -0.02 0.00 -0.63 0.00 0.00 39.34 37.77 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 -0.93 6.70 -0.51 2.98 2.15 -1.26 -4.82 116.67 120.98 1wff s ASP 64 Ca 0.58 -2.19 0.02 0.00 0.43 0.00 0.00 52.55 51.40 1wff s ASP 64 Cb -0.80 -2.41 0.60 0.00 -0.30 0.00 0.00 42.92 40.00 1wff s ASP 64 CO 0.53 -1.04 1.94 0.00 -0.17 0.00 0.00 175.17 176.43 1wff n TYR 65 N 6.56 3.07 -1.86 -5.34 0.18 -1.26 -5.00 117.16 113.50 1wff n TYR 65 Ca 0.27 -2.21 -0.38 0.00 1.88 0.00 0.00 57.90 57.47 1wff n TYR 65 Cb 0.48 -1.09 0.04 0.00 -0.38 0.00 0.00 39.34 38.39 1wff n TYR 65 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1wff s LYS 66 N -3.46 3.10 -1.51 -3.48 2.47 -1.26 -2.79 119.74 112.81 1wff s LYS 66 Ca 0.59 2.10 -0.11 0.00 -1.56 0.00 0.00 55.97 56.99 1wff s LYS 66 Cb 0.49 -2.17 0.08 0.00 -1.46 0.00 0.00 37.83 34.76 1wff s LYS 66 CO 0.07 -1.18 0.88 0.45 0.16 0.00 0.00 175.35 175.74 1wff n SER 67 N -1.17 -3.77 -3.63 1.43 2.88 -1.26 -4.96 113.62 103.14 1wff n SER 67 Ca 0.11 -0.83 -0.28 0.00 -1.33 0.00 0.00 58.87 56.55 1wff n SER 67 Cb 0.46 -3.73 -0.16 0.00 -0.75 0.00 0.00 64.21 60.03 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wff s ALA 68 N -3.40 0.73 -0.35 -1.46 0.00 -1.12 -4.96 121.76 111.20 1wff s ALA 68 Ca 0.53 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 1wff s ALA 68 Cb -0.27 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1wff s ALA 68 CO 0.84 -1.36 0.46 0.41 0.00 0.00 0.00 175.76 176.11 1wff n GLY 69 N 5.17 -1.14 3.60 0.00 0.00 -1.26 -5.05 105.19 106.50 1wff n GLY 69 Ca -0.07 0.85 -0.07 0.00 0.00 0.00 0.00 46.02 46.73 1wff n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wff s ARG 70 N -2.32 0.41 -0.09 1.61 1.04 -1.26 -5.08 118.95 113.27 1wff s ARG 70 Ca 0.16 0.06 -0.02 0.00 -1.04 0.00 0.00 55.73 54.90 1wff s ARG 70 Cb -0.05 0.19 -0.05 0.00 -2.04 0.00 0.00 34.95 33.01 1wff s ARG 70 CO 0.58 -0.14 -0.09 2.89 -0.04 0.00 0.00 175.30 178.50 1wff n ARG 71 N 0.55 0.20 -4.32 3.89 1.85 -1.26 -5.05 116.66 112.52 1wff n ARG 71 Ca -0.06 0.06 -0.27 0.00 -1.00 0.00 0.00 57.85 56.59 1wff n ARG 71 Cb 0.58 -1.02 -0.10 0.00 -1.05 0.00 0.00 32.46 30.88 1wff n ARG 71 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1wff s TYR 72 N -2.17 2.57 -0.18 2.89 1.13 -1.26 -5.10 117.35 115.23 1wff s TYR 72 Ca -0.12 -0.25 -0.27 0.00 -1.41 0.00 0.00 57.07 55.03 1wff s TYR 72 Cb 0.04 -1.25 -0.01 0.00 -1.10 0.00 0.00 41.96 39.64 1wff s TYR 72 CO 0.18 0.52 0.91 -0.51 -2.51 0.00 0.00 175.55 174.14 1wff s LEU 73 N -2.85 4.16 0.40 -3.49 1.02 -1.26 -5.01 118.68 111.65 1wff s LEU 73 Ca 0.25 1.27 -0.27 0.00 0.02 0.00 0.00 54.13 55.39 1wff s LEU 73 Cb -0.08 -3.35 -0.10 0.00 0.02 0.00 0.00 46.19 42.67 1wff s LEU 73 CO 0.14 -0.47 1.44 -1.83 0.02 0.00 0.00 176.35 175.65 1wff s GLU 74 N 2.40 3.98 -0.07 1.70 -1.05 -1.26 -4.97 118.70 119.43 1wff s GLU 74 Ca 0.41 2.48 -0.21 0.00 -0.15 0.00 0.00 54.97 57.49 1wff s GLU 74 Cb -0.16 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.62 1wff s GLU 74 CO 0.12 -0.60 0.61 -2.00 0.95 0.00 0.00 175.26 174.34 1wff s GLU 75 N -2.20 4.39 -0.24 -4.83 2.12 -1.26 -5.04 118.70 111.63 1wff s GLU 75 Ca 0.55 0.73 -0.27 0.00 0.36 0.00 0.00 54.97 56.34 1wff s GLU 75 Cb -0.45 -3.42 0.14 0.00 0.26 0.00 0.00 34.13 30.66 1wff s GLU 75 CO 0.59 0.16 1.10 0.00 -0.54 0.00 0.00 175.26 176.57 1wff s ALA 76 N 0.54 -2.00 -0.13 6.30 0.00 -1.26 -5.15 121.76 120.05 1wff s ALA 76 Ca 0.33 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 1wff s ALA 76 Cb -0.17 -1.21 0.04 0.00 0.00 0.00 0.00 23.12 21.78 1wff s ALA 76 CO 0.16 -0.25 0.01 0.54 0.00 0.00 0.00 175.76 176.22 1wff s ASN 77 N -0.42 2.22 1.24 0.00 4.22 -1.26 -5.15 114.94 115.79 1wff s ASN 77 Ca 0.02 -0.43 -0.21 0.00 -2.14 0.00 0.00 52.86 50.11 1wff s ASN 77 Cb -0.03 -0.53 0.31 0.00 1.28 0.00 0.00 41.25 42.27 1wff s ASN 77 CO -0.05 -0.24 1.11 -2.16 -2.04 0.00 0.00 177.10 173.73 1wff s PRO 78 N 1.91 -1.56 0.02 3.55 0.04 -1.26 -5.09 135.00 132.61 1wff s PRO 78 Ca 0.02 -0.18 0.01 0.00 0.04 0.00 0.00 61.00 60.89 1wff s PRO 78 Cb -0.14 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 1wff s PRO 78 CO -0.07 -3.91 -0.05 0.54 0.04 0.00 0.00 177.00 173.55 1wff s VAL 79 N -3.01 0.31 -0.04 -0.36 0.11 -1.26 -5.15 120.40 110.99 1wff s VAL 79 Ca 0.72 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1wff s VAL 79 Cb -0.08 -0.36 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1wff s VAL 79 CO 0.56 -0.26 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.62 1wff s SER 80 N -1.02 0.72 0.00 3.54 0.01 -1.26 -5.09 113.70 110.60 1wff s SER 80 Ca -0.08 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wff s SER 80 Cb -0.07 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1wff s SER 80 CO -0.00 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1wff n GLY 81 N 4.30 -1.61 3.60 3.44 0.00 -1.26 -5.18 105.19 108.49 1wff n GLY 81 Ca -0.23 1.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 1wff n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wff s PRO 82 N 0.00 -1.05 -0.08 1.61 0.04 -1.26 -5.10 135.00 129.17 1wff s PRO 82 Ca 0.00 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 1wff s PRO 82 Cb 0.00 -1.61 0.11 0.00 0.04 0.00 0.00 34.50 33.04 1wff s PRO 82 CO 0.00 -3.61 0.92 0.45 0.04 0.00 0.00 177.00 174.80 1wff s SER 83 N -3.84 -0.39 0.02 6.66 0.15 -1.26 -5.19 113.70 109.86 1wff s SER 83 Ca 0.70 0.24 -0.28 0.00 0.70 0.00 0.00 55.95 57.31 1wff s SER 83 Cb -0.11 0.36 0.10 0.00 -1.71 0.00 0.00 66.02 64.67 1wff s SER 83 CO 0.56 -0.50 1.23 -0.94 1.20 0.00 0.00 173.24 174.79 1wff s SER 84 N -1.77 -0.04 0.00 5.45 1.04 -1.26 -5.38 113.70 111.74 1wff s SER 84 Ca 0.01 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1wff s SER 84 Cb -0.01 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wff s SER 84 CO -0.03 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.37