#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 -0.14 0.14 1.61 1.04 -1.26 -5.19 113.70 109.90 1wff s SER 2 Ca 0.00 -0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 1wff s SER 2 Cb 0.00 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.34 1wff s SER 2 CO 0.00 -0.24 1.03 -0.55 0.98 0.00 0.00 173.24 174.46 1wff s SER 3 N -2.20 -0.10 0.00 7.02 0.15 -1.26 -5.18 113.70 112.13 1wff s SER 3 Ca 0.09 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1wff s SER 3 Cb -0.01 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1wff s SER 3 CO -0.05 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1wff n GLY 4 N -0.55 4.44 3.91 9.45 0.00 -1.26 -5.19 105.19 115.99 1wff n GLY 4 Ca -0.05 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.01 0.11 1.61 0.15 -1.26 -5.20 113.70 109.11 1wff s SER 5 Ca 0.00 -0.27 -0.25 0.00 0.70 0.00 0.00 55.95 56.13 1wff s SER 5 Cb 0.00 0.21 0.08 0.00 -1.71 0.00 0.00 66.02 64.60 1wff s SER 5 CO 0.00 -0.41 1.12 -0.94 1.20 0.00 0.00 173.24 174.20 1wff s SER 6 N -3.59 -0.02 -0.30 5.45 1.04 -1.26 -5.16 113.70 109.86 1wff s SER 6 Ca 0.25 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 1wff s SER 6 Cb 0.00 0.38 0.18 0.00 0.10 0.00 0.00 66.02 66.68 1wff s SER 6 CO -0.00 -0.75 0.95 -0.83 0.98 0.00 0.00 173.24 173.59 1wff s GLY 7 N -3.42 -0.70 -0.05 7.32 0.00 -1.26 -5.16 107.32 104.05 1wff s GLY 7 Ca 0.22 2.27 0.03 0.00 0.00 0.00 0.00 44.72 47.24 1wff s GLY 7 CO 0.03 3.84 -0.13 -0.42 0.00 0.00 0.00 173.10 176.41 1wff s ILE 8 N 2.93 1.16 0.03 0.90 -1.09 -1.26 -5.13 121.20 118.74 1wff s ILE 8 Ca 0.12 -0.54 -0.28 0.00 -2.23 0.00 0.00 60.65 57.72 1wff s ILE 8 Cb -0.08 -1.03 0.07 0.00 -1.58 0.00 0.00 42.46 39.84 1wff s ILE 8 CO -0.18 0.35 0.67 -1.38 -1.23 0.00 0.00 174.94 173.17 1wff s HIS 9 N 0.33 -0.59 -0.29 3.97 -3.43 -1.26 -5.17 115.29 108.86 1wff s HIS 9 Ca -0.08 0.76 -0.14 0.00 -0.80 0.00 0.00 55.06 54.80 1wff s HIS 9 Cb -0.13 0.48 0.10 0.00 -1.43 0.00 0.00 32.58 31.60 1wff s HIS 9 CO 0.02 -0.69 0.70 -3.38 -2.00 0.00 0.00 174.74 169.39 1wff s HIS 10 N -2.27 -1.12 -0.29 0.38 -3.43 -1.26 -5.16 115.29 102.14 1wff s HIS 10 Ca -0.05 2.14 -0.21 0.00 -0.80 0.00 0.00 55.06 56.14 1wff s HIS 10 Cb -0.00 0.67 0.15 0.00 -1.43 0.00 0.00 32.58 31.97 1wff s HIS 10 CO -0.00 -0.56 1.10 -1.17 -2.00 0.00 0.00 174.74 172.11 1wff s LEU 11 N 1.99 -0.37 0.78 5.38 2.96 -1.26 -5.17 118.68 122.98 1wff s LEU 11 Ca -0.09 0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1wff s LEU 11 Cb -0.07 1.63 0.06 0.00 0.50 0.00 0.00 46.19 48.31 1wff s LEU 11 CO -0.19 -0.11 1.09 -2.16 -1.32 0.00 0.00 176.35 173.66 1wff s PRO 12 N 0.69 2.24 0.79 0.98 0.04 -1.26 -5.03 135.00 133.45 1wff s PRO 12 Ca -0.02 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 1wff s PRO 12 Cb -0.04 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1wff s PRO 12 CO -0.11 -1.66 1.09 -1.25 0.04 0.00 0.00 177.00 175.11 1wff s PRO 13 N -4.90 2.15 -0.07 0.56 0.04 -1.26 -5.06 135.00 126.46 1wff s PRO 13 Ca 0.61 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1wff s PRO 13 Cb -0.17 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1wff s PRO 13 CO 0.56 -1.71 -0.16 0.08 0.04 0.00 0.00 177.00 175.82 1wff s VAL 14 N -2.91 1.40 0.27 -0.36 1.01 -1.26 -5.14 120.40 113.41 1wff s VAL 14 Ca 0.61 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1wff s VAL 14 Cb -0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1wff s VAL 14 CO 0.56 0.41 0.17 -0.54 0.00 0.00 0.00 175.10 175.71 1wff s LYS 15 N 0.53 1.46 0.03 2.72 1.02 -1.26 -5.18 119.74 119.07 1wff s LYS 15 Ca -0.15 -1.81 -0.17 0.00 0.02 0.00 0.00 55.97 53.85 1wff s LYS 15 Cb -0.16 0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1wff s LYS 15 CO 0.05 -0.46 0.39 0.00 -0.92 0.00 0.00 175.35 174.41 1wff s ALA 16 N -3.80 -0.95 0.47 5.17 0.00 -1.26 -5.16 121.76 116.23 1wff s ALA 16 Ca 0.38 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1wff s ALA 16 Cb 0.05 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.38 1wff s ALA 16 CO 0.17 -0.41 1.16 -1.25 0.00 0.00 0.00 175.76 175.43 1wff s PRO 17 N -2.24 3.71 -0.25 0.00 0.04 -1.26 -5.05 135.00 129.96 1wff s PRO 17 Ca -0.07 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1wff s PRO 17 Cb -0.01 -2.36 0.13 0.00 0.04 0.00 0.00 34.50 32.30 1wff s PRO 17 CO -0.01 -0.58 0.36 -0.51 0.04 0.00 0.00 177.00 176.30 1wff s LEU 18 N -3.11 -0.57 -0.63 -3.56 1.43 -1.26 -5.03 118.68 105.95 1wff s LEU 18 Ca 0.65 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1wff s LEU 18 Cb -0.28 1.00 0.43 0.00 0.03 0.00 0.00 46.19 47.37 1wff s LEU 18 CO 0.34 -0.32 1.84 1.67 0.23 0.00 0.00 176.35 180.11 1wff n GLN 19 N 5.35 2.90 -3.69 1.70 -0.06 -1.26 -4.91 117.38 117.41 1wff n GLN 19 Ca -0.03 -3.55 -0.20 0.00 -2.00 0.00 0.00 57.00 51.22 1wff n GLN 19 Cb 0.50 -2.28 -0.18 0.00 -4.06 0.00 0.00 30.24 24.22 1wff n GLN 19 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1wff s THR 20 N -4.87 -0.06 0.00 1.69 -4.23 -1.26 -5.07 115.64 101.84 1wff s THR 20 Ca 0.59 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1wff s THR 20 Cb 0.47 -0.17 0.00 0.00 1.34 0.00 0.00 72.50 74.14 1wff s THR 20 CO -0.09 0.18 0.00 0.29 -0.54 0.00 0.00 174.62 174.46 1wff n LYS 21 N 5.14 0.00 -3.84 3.99 4.76 -1.26 -5.07 118.16 121.88 1wff n LYS 21 Ca -0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.25 1wff n LYS 21 Cb 0.50 -0.22 -0.14 0.00 -1.84 0.00 0.00 35.03 33.33 1wff n LYS 21 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wff s LYS 22 N -0.48 0.03 0.24 1.97 1.02 -1.26 -5.16 119.74 116.10 1wff s LYS 22 Ca 0.00 0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.99 1wff s LYS 22 Cb 0.00 -0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.27 1wff s LYS 22 CO 0.00 -0.03 0.38 0.15 -0.92 0.00 0.00 175.35 174.92 1wff s LYS 23 N 0.20 1.48 -0.13 1.68 1.02 -1.26 -5.14 119.74 117.59 1wff s LYS 23 Ca -0.02 -1.41 -0.25 0.00 0.02 0.00 0.00 55.97 54.31 1wff s LYS 23 Cb -0.02 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.68 1wff s LYS 23 CO -0.01 -0.58 0.83 0.42 -0.92 0.00 0.00 175.35 175.09 1wff s ILE 24 N -3.97 4.91 -0.05 2.17 1.09 -1.26 -5.04 121.20 119.05 1wff s ILE 24 Ca 0.28 1.65 -0.12 0.00 -1.10 0.00 0.00 60.65 61.36 1wff s ILE 24 Cb 0.02 -4.14 0.02 0.00 -1.06 0.00 0.00 42.46 37.30 1wff s ILE 24 CO 0.11 0.08 0.28 -0.04 -0.10 0.00 0.00 174.94 175.27 1wff s MET 25 N 1.80 0.51 0.13 2.79 -1.94 -1.26 -5.17 119.30 116.17 1wff s MET 25 Ca 0.40 0.03 0.11 0.00 -1.71 0.00 0.00 55.69 54.51 1wff s MET 25 Cb -0.17 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.86 1wff s MET 25 CO 0.15 -0.12 -0.26 0.15 -0.01 0.00 0.00 175.02 174.93 1wff s LYS 26 N -0.73 1.46 -0.28 2.03 1.02 -1.26 -5.13 119.74 116.84 1wff s LYS 26 Ca -0.08 -1.32 -0.20 0.00 0.02 0.00 0.00 55.97 54.38 1wff s LYS 26 Cb -0.04 -1.93 0.11 0.00 -0.52 0.00 0.00 37.83 35.45 1wff s LYS 26 CO 0.02 0.46 0.90 -3.38 -0.92 0.00 0.00 175.35 172.43 1wff s HIS 27 N -1.06 -0.67 0.43 3.18 -3.43 -1.26 -3.12 115.29 109.37 1wff s HIS 27 Ca 0.14 1.46 -0.13 0.00 -0.80 0.00 0.00 55.06 55.73 1wff s HIS 27 Cb -0.10 0.40 -0.11 0.00 -1.43 0.00 0.00 32.58 31.34 1wff s HIS 27 CO 0.06 -0.33 -0.18 0.00 -2.00 0.00 0.00 174.74 172.29 1wff n PHE 29 N -1.23 0.29 0.04 0.00 7.35 -0.02 -3.27 117.46 120.63 1wff n PHE 29 Ca 0.04 0.10 -0.02 0.00 -0.76 0.00 0.00 57.45 56.81 1wff n PHE 29 Cb 0.36 -0.94 -0.01 0.00 0.35 0.00 0.00 39.48 39.24 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 -0.11 0.02 -2.13 5.85 -1.90 -3.42 115.31 113.62 1wff h LEU 30 Ca -0.34 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.04 1wff h LEU 30 Cb 1.85 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 1wff h LEU 30 CO 0.03 -0.01 -1.90 0.00 -0.34 0.00 0.00 178.44 176.22 1wff n GLY 32 N 1.53 1.85 3.69 0.00 0.00 -1.20 -5.02 105.19 106.04 1wff n GLY 32 Ca -0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1wff n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wff n LYS 33 N -0.38 1.30 -2.08 1.61 3.00 -1.26 -4.48 118.16 115.87 1wff n LYS 33 Ca 0.00 0.49 -0.28 0.00 -0.00 0.00 0.00 58.31 58.52 1wff n LYS 33 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 35.03 32.60 1wff n LYS 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1wff s LYS 34 N -2.84 2.60 -0.90 1.64 -2.85 -1.26 -1.50 119.74 114.63 1wff s LYS 34 Ca 0.74 -0.51 -0.15 0.00 -1.00 0.00 0.00 55.97 55.05 1wff s LYS 34 Cb -0.42 -5.11 0.20 0.00 -2.06 0.00 0.00 37.83 30.43 1wff s LYS 34 CO 0.48 -3.44 0.93 0.95 0.10 0.00 0.00 175.35 174.37 1wff s THR 35 N 10.01 5.37 0.00 3.79 -4.23 -1.18 -4.94 115.64 124.47 1wff s THR 35 Ca 0.69 -2.31 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1wff s THR 35 Cb -0.05 -4.59 0.00 0.00 1.34 0.00 0.00 72.50 69.20 1wff s THR 35 CO 0.02 -1.20 0.00 0.61 -0.54 0.00 0.00 174.62 173.50 1wff n GLY 36 N 4.30 -0.95 0.89 3.99 0.00 -1.26 -4.01 105.19 108.16 1wff n GLY 36 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1wff n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wff n LEU 37 N 0.00 0.88 -0.07 0.99 4.77 -1.26 -4.72 117.00 117.59 1wff n LEU 37 Ca 0.00 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1wff n LEU 37 Cb 0.00 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1wff n LEU 37 CO 0.00 -0.63 0.77 0.00 -1.33 0.00 0.00 177.39 176.19 1wff h ALA 38 N -0.19 0.29 -0.04 -1.18 0.00 -2.00 -3.16 119.26 112.98 1wff h ALA 38 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1wff h ALA 38 Cb 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1wff h ALA 38 CO 0.00 -0.00 -0.32 2.41 0.00 0.00 0.00 179.25 181.34 1wff n THR 39 N -4.69 3.03 -3.84 0.00 -1.04 -1.26 -4.80 114.28 101.68 1wff n THR 39 Ca -0.04 -1.62 -0.12 0.00 -2.04 0.00 0.00 64.05 60.23 1wff n THR 39 Cb 0.22 -1.97 -0.12 0.00 -1.82 0.00 0.00 70.33 66.65 1wff n THR 39 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1wff s SER 40 N 1.87 -0.09 0.15 8.00 0.01 -1.20 -4.11 113.70 118.33 1wff s SER 40 Ca 0.66 0.13 0.01 0.00 1.31 0.00 0.00 55.95 58.07 1wff s SER 40 Cb 0.32 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 1wff s SER 40 CO -0.02 -0.15 0.01 -0.36 0.41 0.00 0.00 173.24 173.13 1wff s PHE 41 N -0.39 1.06 0.07 2.43 0.40 -1.20 -5.02 117.98 115.33 1wff s PHE 41 Ca -0.05 -1.07 0.09 0.00 -0.60 0.00 0.00 56.93 55.30 1wff s PHE 41 Cb -0.03 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.86 1wff s PHE 41 CO 0.01 -0.30 -0.24 -1.83 0.70 0.00 0.00 175.22 173.56 1wff s GLU 42 N -3.95 1.75 0.27 0.44 -1.05 -1.26 -3.38 118.70 111.52 1wff s GLU 42 Ca 0.22 -1.15 0.09 0.00 -0.15 0.00 0.00 54.97 53.98 1wff s GLU 42 Cb 0.06 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 1wff s GLU 42 CO 0.02 0.50 0.05 0.00 0.95 0.00 0.00 175.26 176.78 1wff h ARG 44 N 1.78 0.36 -0.21 0.00 3.08 -1.93 0.14 114.38 117.60 1wff h ARG 44 Ca -0.45 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.40 1wff h ARG 44 Cb 1.25 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1wff h ARG 44 CO 0.61 0.24 -0.61 0.00 -1.07 0.00 0.00 179.97 179.14 1wff n GLY 46 N 0.41 2.40 3.64 0.00 0.00 0.49 -5.05 105.19 107.07 1wff n GLY 46 Ca -0.04 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 1.70 -4.72 1.61 3.02 -1.26 -4.45 115.26 111.16 1wff n ASN 47 Ca 0.00 1.09 -0.37 0.00 -0.03 0.00 0.00 54.58 55.26 1wff n ASN 47 Cb 0.00 -1.39 -0.06 0.00 -0.61 0.00 0.00 39.78 37.71 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 -0.63 6.58 0.35 6.41 4.22 -1.26 -3.26 114.94 127.35 1wff s ASN 48 Ca 0.61 0.69 0.04 0.00 -2.14 0.00 0.00 52.86 52.06 1wff s ASN 48 Cb -0.56 -2.25 -0.05 0.00 1.28 0.00 0.00 41.25 39.66 1wff s ASN 48 CO 0.58 0.02 0.07 -0.36 -2.04 0.00 0.00 177.10 175.37 1wff s PHE 49 N 0.66 1.95 0.80 1.54 0.08 -1.22 -0.84 117.98 120.95 1wff s PHE 49 Ca 0.22 -1.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.15 1wff s PHE 49 Cb -0.14 -1.30 0.07 0.00 -0.57 0.00 0.00 43.02 41.08 1wff s PHE 49 CO 0.08 -0.02 1.17 0.00 -0.10 0.00 0.00 175.22 176.34 1wff h ALA 51 N -1.00 2.25 0.02 0.00 0.00 -1.95 2.17 119.26 120.74 1wff h ALA 51 Ca -0.46 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1wff h ALA 51 Cb 1.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1wff h ALA 51 CO 0.66 -0.42 -1.02 1.03 0.00 0.00 0.00 179.25 179.49 1wff h SER 52 N 0.25 0.05 -0.25 0.00 0.87 -2.00 -3.28 113.55 109.19 1wff h SER 52 Ca 0.31 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1wff h SER 52 Cb 0.86 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1wff h SER 52 CO -0.07 1.04 -0.02 1.41 -0.53 0.00 0.00 176.83 178.67 1wff n HIS 53 N -3.38 0.87 0.13 2.24 -0.00 0.09 -4.59 115.22 110.58 1wff n HIS 53 Ca -0.01 -1.06 -0.02 0.00 -0.00 0.00 0.00 57.72 56.63 1wff n HIS 53 Cb 0.95 -0.34 0.16 0.00 -0.00 0.00 0.00 29.99 30.75 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 1.39 0.02 -6.67 -0.41 0.11 0.34 -3.39 114.38 105.76 1wff h ARG 54 Ca 0.05 -0.01 -0.51 0.00 0.10 0.00 0.00 59.98 59.61 1wff h ARG 54 Cb 1.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.52 1wff h ARG 54 CO 0.24 0.64 0.43 0.71 0.10 0.00 0.00 179.97 182.09 1wff s TYR 55 N -3.59 3.71 0.08 4.08 2.02 -1.26 -4.66 117.35 117.72 1wff s TYR 55 Ca -0.01 1.71 -0.18 0.00 -0.37 0.00 0.00 57.07 58.22 1wff s TYR 55 Cb 0.13 -3.18 -0.06 0.00 -0.40 0.00 0.00 41.96 38.45 1wff s TYR 55 CO 0.77 -0.23 1.30 0.00 -1.57 0.00 0.00 175.55 175.82 1wff h ALA 56 N 4.87 -0.50 -0.93 3.71 0.00 -1.96 0.71 119.26 125.16 1wff h ALA 56 Ca -0.44 0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.75 1wff h ALA 56 Cb 1.21 1.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.87 1wff h ALA 56 CO 0.71 -0.67 0.37 1.05 0.00 0.00 0.00 179.25 180.71 1wff h GLU 57 N -0.16 0.26 -1.04 0.00 -0.00 -1.93 0.30 114.58 112.02 1wff h GLU 57 Ca 0.05 -0.02 0.37 0.00 -0.00 0.00 0.00 59.36 59.76 1wff h GLU 57 Cb 0.30 -0.06 -0.16 0.00 -0.00 0.00 0.00 28.75 28.84 1wff h GLU 57 CO -0.39 0.18 0.59 0.00 -0.00 0.00 0.00 179.01 179.39 1wff h ALA 58 N 1.80 2.12 -0.71 1.06 0.00 -1.18 0.21 119.26 122.56 1wff h ALA 58 Ca 0.62 0.21 -0.51 0.00 0.00 0.00 0.00 54.91 55.22 1wff h ALA 58 Cb 1.30 0.22 -0.42 0.00 0.00 0.00 0.00 17.79 18.88 1wff h ALA 58 CO -0.63 -0.79 -0.85 -2.39 0.00 0.00 0.00 179.25 174.59 1wff n HIS 59 N -5.07 2.58 -3.94 0.00 1.44 0.97 -4.96 115.22 106.24 1wff n HIS 59 Ca 0.34 -2.20 -0.27 0.00 -2.01 0.00 0.00 57.72 53.58 1wff n HIS 59 Cb 1.14 -0.33 -0.06 0.00 0.12 0.00 0.00 29.99 30.86 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 -0.70 -0.20 2.58 -1.39 0.00 0.75 -4.73 105.19 101.49 1wff n GLY 60 Ca 0.40 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 2.11 2.18 -4.48 0.00 0.23 -1.26 -4.96 115.26 109.08 1wff n ASN 62 Ca 0.05 -0.01 -0.63 0.00 -0.53 0.00 0.00 54.58 53.46 1wff n ASN 62 Cb 0.39 -0.41 -0.11 0.00 -2.08 0.00 0.00 39.78 37.57 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 -3.33 1.44 -1.95 -2.53 4.19 -1.26 -4.73 117.16 108.99 1wff n TYR 63 Ca -0.38 0.93 -0.24 0.00 3.31 0.00 0.00 57.90 61.51 1wff n TYR 63 Cb 0.86 -2.27 -0.06 0.00 0.49 0.00 0.00 39.34 38.36 1wff n TYR 63 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1wff s ASP 64 N 4.67 4.79 -0.41 2.98 2.15 -1.26 -4.80 116.67 124.79 1wff s ASP 64 Ca 1.13 -0.90 -0.05 0.00 0.43 0.00 0.00 52.55 53.16 1wff s ASP 64 Cb -1.48 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 38.49 1wff s ASP 64 CO 0.73 -3.17 3.10 0.00 -0.17 0.00 0.00 175.17 175.65 1wff n TYR 65 N 15.22 1.09 -0.65 -5.34 0.18 -1.26 -4.97 117.16 121.43 1wff n TYR 65 Ca 0.43 -1.90 -0.23 0.00 1.88 0.00 0.00 57.90 58.07 1wff n TYR 65 Cb 0.46 -1.57 0.12 0.00 -0.38 0.00 0.00 39.34 37.98 1wff n TYR 65 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1wff n LYS 66 N 1.75 -1.59 -0.24 -3.48 5.02 -1.26 -4.66 118.16 113.70 1wff n LYS 66 Ca 0.49 -0.47 0.16 0.00 -2.02 0.00 0.00 58.31 56.48 1wff n LYS 66 Cb 0.65 -1.42 0.30 0.00 -0.02 0.00 0.00 35.03 34.55 1wff n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wff n SER 67 N -0.32 0.07 -4.34 4.39 2.88 -1.26 -4.70 113.62 110.33 1wff n SER 67 Ca 0.03 1.20 -0.38 0.00 -1.33 0.00 0.00 58.87 58.39 1wff n SER 67 Cb 0.45 -0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 63.35 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 -2.93 -1.36 -2.81 -1.46 0.00 -1.26 -2.64 120.51 108.05 1wff n ALA 68 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 1wff n ALA 68 Cb 0.72 -2.74 0.01 0.00 0.00 0.00 0.00 19.45 17.44 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 -1.42 -1.27 3.19 0.00 0.00 -1.26 -5.06 105.19 99.37 1wff n GLY 69 Ca 0.03 1.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.98 1wff n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wff s ARG 70 N -2.60 0.60 -0.34 1.61 6.06 -1.08 -5.14 118.95 118.06 1wff s ARG 70 Ca 0.19 -0.27 -0.14 0.00 -2.50 0.00 0.00 55.73 53.01 1wff s ARG 70 Cb -0.05 0.26 -0.01 0.00 0.06 0.00 0.00 34.95 35.20 1wff s ARG 70 CO 0.72 -0.16 0.32 0.50 -2.50 0.00 0.00 175.30 174.18 1wff s ARG 71 N -1.36 3.55 0.07 5.12 3.52 -1.26 -5.03 118.95 123.56 1wff s ARG 71 Ca -0.14 -0.49 -0.37 0.00 -0.13 0.00 0.00 55.73 54.60 1wff s ARG 71 Cb -0.06 -3.80 -0.17 0.00 -1.56 0.00 0.00 34.95 29.35 1wff s ARG 71 CO 0.03 -0.49 1.28 2.48 -0.81 0.00 0.00 175.30 177.79 1wff n TYR 72 N 5.28 1.33 -0.39 5.12 0.18 -1.26 -4.91 117.16 122.50 1wff n TYR 72 Ca -0.10 0.72 -0.23 0.00 1.88 0.00 0.00 57.90 60.16 1wff n TYR 72 Cb 0.50 -2.28 0.22 0.00 -0.38 0.00 0.00 39.34 37.39 1wff n TYR 72 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1wff n LEU 73 N 2.30 -0.91 -4.04 -3.48 7.99 -1.26 -4.99 117.00 112.61 1wff n LEU 73 Ca 0.19 -0.59 -0.31 0.00 -0.01 0.00 0.00 56.01 55.28 1wff n LEU 73 Cb 0.17 -0.89 -0.15 0.00 -0.11 0.00 0.00 43.42 42.44 1wff n LEU 73 CO 0.62 -3.85 -0.40 -0.70 -1.51 0.00 0.00 177.39 171.55 1wff s GLU 74 N -4.19 1.86 -0.27 3.23 2.12 -1.26 -5.08 118.70 115.11 1wff s GLU 74 Ca 0.50 -1.59 -0.25 0.00 0.36 0.00 0.00 54.97 54.00 1wff s GLU 74 Cb -0.10 -3.02 0.08 0.00 0.26 0.00 0.00 34.13 31.35 1wff s GLU 74 CO 0.44 -0.75 0.80 -2.00 -0.54 0.00 0.00 175.26 173.22 1wff s GLU 75 N 1.02 0.75 -0.28 4.30 2.12 -1.26 -5.17 118.70 120.18 1wff s GLU 75 Ca 0.00 0.90 -0.15 0.00 0.36 0.00 0.00 54.97 56.08 1wff s GLU 75 Cb -0.19 0.36 0.10 0.00 0.26 0.00 0.00 34.13 34.66 1wff s GLU 75 CO -0.07 -0.09 0.75 0.00 -0.54 0.00 0.00 175.26 175.31 1wff s ALA 76 N 0.36 -2.00 0.02 6.30 0.00 -1.26 -5.17 121.76 120.01 1wff s ALA 76 Ca 0.01 2.37 -0.01 0.00 0.00 0.00 0.00 51.96 54.33 1wff s ALA 76 Cb -0.05 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1wff s ALA 76 CO -0.01 -0.46 -0.01 -0.80 0.00 0.00 0.00 175.76 174.48 1wff s ASN 77 N 1.76 0.23 1.20 0.00 -0.87 -1.26 -5.17 114.94 110.82 1wff s ASN 77 Ca -0.09 -0.49 -0.16 0.00 -1.57 0.00 0.00 52.86 50.54 1wff s ASN 77 Cb -0.06 0.12 0.24 0.00 -0.02 0.00 0.00 41.25 41.53 1wff s ASN 77 CO -0.19 -0.32 0.86 -0.81 -2.57 0.00 0.00 177.10 174.07 1wff n PRO 78 N 1.50 -2.69 -3.62 -0.60 -0.04 -1.26 -5.10 135.00 123.19 1wff n PRO 78 Ca -0.23 -1.38 -0.11 0.00 -0.04 0.00 0.00 63.50 61.74 1wff n PRO 78 Cb 0.55 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.56 0.00 0.95 0.52 0.11 -1.26 -5.17 120.40 112.99 1wff s VAL 79 Ca 0.56 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.50 1wff s VAL 79 Cb -0.05 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.96 1wff s VAL 79 CO 0.43 0.00 1.10 -0.94 -3.33 0.00 0.00 175.10 172.36 1wff s SER 80 N 0.06 2.80 -0.29 3.54 1.04 -1.26 -5.06 113.70 114.53 1wff s SER 80 Ca 0.01 1.81 -0.25 0.00 0.48 0.00 0.00 55.95 58.00 1wff s SER 80 Cb -0.04 -2.40 0.17 0.00 0.10 0.00 0.00 66.02 63.84 1wff s SER 80 CO -0.02 -3.12 1.31 -0.83 0.98 0.00 0.00 173.24 171.56 1wff s GLY 81 N -2.91 0.19 1.25 7.32 0.00 -1.26 -5.18 107.32 106.72 1wff s GLY 81 Ca 0.66 3.25 -0.21 0.00 0.00 0.00 0.00 44.72 48.41 1wff s GLY 81 CO 0.59 1.90 1.11 2.56 0.00 0.00 0.00 173.10 179.26 1wff s PRO 82 N 0.08 -1.57 0.06 2.90 0.04 -1.26 -4.97 135.00 130.27 1wff s PRO 82 Ca 0.06 -0.19 -0.23 0.00 0.04 0.00 0.00 61.00 60.68 1wff s PRO 82 Cb -0.05 -1.57 -0.14 0.00 0.04 0.00 0.00 34.50 32.78 1wff s PRO 82 CO -0.13 -3.92 1.56 1.03 0.04 0.00 0.00 177.00 175.58 1wff h SER 83 N -2.73 0.11 -4.24 6.66 0.87 -2.07 -3.43 113.55 108.72 1wff h SER 83 Ca -0.43 -0.21 -0.52 0.00 -1.23 0.00 0.00 61.79 59.40 1wff h SER 83 Cb 1.28 -0.03 0.17 0.00 -0.44 0.00 0.00 62.40 63.38 1wff h SER 83 CO 0.29 0.29 0.31 -0.94 -0.53 0.00 0.00 176.83 176.25 1wff s SER 84 N -5.50 3.75 0.00 6.23 1.04 -1.26 -5.35 113.70 112.60 1wff s SER 84 Ca -0.14 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1wff s SER 84 Cb 0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1wff s SER 84 CO 0.68 -2.55 0.00 0.61 0.98 0.00 0.00 173.24 172.96