#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 -0.63 0.01 1.61 0.01 -1.26 -5.18 113.70 108.26 1wff s SER 2 Ca 0.00 0.85 -0.29 0.00 1.31 0.00 0.00 55.95 57.82 1wff s SER 2 Cb 0.00 0.73 0.10 0.00 0.21 0.00 0.00 66.02 67.07 1wff s SER 2 CO 0.00 -0.47 1.11 -0.94 0.41 0.00 0.00 173.24 173.35 1wff s SER 3 N -0.75 -0.15 0.00 2.44 1.04 -1.26 -5.18 113.70 109.83 1wff s SER 3 Ca -0.07 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1wff s SER 3 Cb -0.01 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1wff s SER 3 CO 0.06 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1wff n GLY 4 N -0.38 4.20 3.62 7.32 0.00 -1.26 -5.19 105.19 113.50 1wff n GLY 4 Ca -0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.22 0.23 1.61 0.15 -1.26 -5.19 113.70 109.02 1wff s SER 5 Ca 0.00 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.75 1wff s SER 5 Cb 0.00 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 1wff s SER 5 CO 0.00 -0.16 0.96 -0.44 1.20 0.00 0.00 173.24 174.80 1wff s SER 6 N -0.68 -0.03 0.00 5.45 0.01 -1.26 -5.15 113.70 112.04 1wff s SER 6 Ca 0.04 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1wff s SER 6 Cb -0.02 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1wff s SER 6 CO -0.05 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1wff n GLY 7 N -0.61 2.35 2.99 3.44 0.00 -1.26 -5.16 105.19 106.94 1wff n GLY 7 Ca -0.05 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 1wff n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wff s ILE 8 N 0.00 0.71 -0.28 -0.61 -4.36 -1.26 -5.14 121.20 110.26 1wff s ILE 8 Ca 0.00 -0.34 -0.18 0.00 -0.26 0.00 0.00 60.65 59.88 1wff s ILE 8 Cb 0.00 -0.63 0.11 0.00 1.25 0.00 0.00 42.46 43.20 1wff s ILE 8 CO 0.00 0.22 0.86 -1.38 0.24 0.00 0.00 174.94 174.88 1wff s HIS 9 N 0.11 -0.75 -0.29 1.37 -3.43 -1.26 -5.17 115.29 105.86 1wff s HIS 9 Ca -0.01 1.55 -0.24 0.00 -0.80 0.00 0.00 55.06 55.55 1wff s HIS 9 Cb -0.07 0.45 0.17 0.00 -1.43 0.00 0.00 32.58 31.69 1wff s HIS 9 CO 0.00 -0.37 1.29 -3.38 -2.00 0.00 0.00 174.74 170.28 1wff s HIS 10 N 1.26 -0.21 -0.19 0.38 -3.43 -1.26 -5.16 115.29 106.68 1wff s HIS 10 Ca -0.07 0.50 -0.07 0.00 -0.80 0.00 0.00 55.06 54.62 1wff s HIS 10 Cb -0.04 0.42 0.09 0.00 -1.43 0.00 0.00 32.58 31.61 1wff s HIS 10 CO -0.15 -0.10 0.40 -0.51 -2.00 0.00 0.00 174.74 172.38 1wff s LEU 11 N 0.19 -0.58 -0.11 5.38 1.43 -1.26 -5.13 118.68 118.61 1wff s LEU 11 Ca 0.05 0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 1wff s LEU 11 Cb -0.05 1.27 -0.04 0.00 0.03 0.00 0.00 46.19 47.40 1wff s LEU 11 CO -0.12 -0.23 1.54 -2.16 0.23 0.00 0.00 176.35 175.60 1wff s PRO 12 N 2.53 4.15 0.52 1.29 0.04 -1.26 -4.99 135.00 137.28 1wff s PRO 12 Ca -0.02 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1wff s PRO 12 Cb -0.12 -3.93 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 1wff s PRO 12 CO -0.12 -0.86 1.14 -1.25 0.04 0.00 0.00 177.00 175.95 1wff s PRO 13 N 3.96 3.49 -0.10 0.56 0.04 -1.26 -5.05 135.00 136.63 1wff s PRO 13 Ca 0.68 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 1wff s PRO 13 Cb -0.29 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1wff s PRO 13 CO 0.25 -0.75 0.04 0.08 0.04 0.00 0.00 177.00 176.66 1wff s VAL 14 N -1.70 0.17 0.01 -0.36 1.01 -1.26 -5.14 120.40 113.13 1wff s VAL 14 Ca 0.70 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1wff s VAL 14 Cb -0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1wff s VAL 14 CO 0.29 0.05 -0.03 -1.59 0.00 0.00 0.00 175.10 173.83 1wff s LYS 15 N 2.04 0.23 -0.28 2.72 0.00 -1.26 -5.15 119.74 118.05 1wff s LYS 15 Ca 0.03 -0.23 -0.23 0.00 0.00 0.00 0.00 55.97 55.55 1wff s LYS 15 Cb -0.14 -0.14 0.10 0.00 0.00 0.00 0.00 37.83 37.65 1wff s LYS 15 CO -0.06 0.03 0.87 0.00 0.00 0.00 0.00 175.35 176.20 1wff s ALA 16 N -0.39 -1.92 1.12 0.59 0.00 -1.26 -5.18 121.76 114.72 1wff s ALA 16 Ca -0.03 2.03 -0.16 0.00 0.00 0.00 0.00 51.96 53.80 1wff s ALA 16 Cb -0.03 -1.37 0.25 0.00 0.00 0.00 0.00 23.12 21.97 1wff s ALA 16 CO -0.00 -0.30 1.10 -1.25 0.00 0.00 0.00 175.76 175.31 1wff s PRO 17 N 0.55 -0.55 -0.62 0.00 0.04 -1.26 -5.02 135.00 128.13 1wff s PRO 17 Ca -0.01 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.25 1wff s PRO 17 Cb -0.05 -1.65 0.15 0.00 0.04 0.00 0.00 34.50 32.99 1wff s PRO 17 CO -0.06 -3.32 0.39 -0.51 0.04 0.00 0.00 177.00 173.55 1wff s LEU 18 N -6.75 4.61 -0.30 -3.56 2.01 -1.26 -5.01 118.68 108.42 1wff s LEU 18 Ca 0.69 -3.48 -0.10 0.00 0.01 0.00 0.00 54.13 51.25 1wff s LEU 18 Cb -0.14 -1.64 0.17 0.00 0.01 0.00 0.00 46.19 44.59 1wff s LEU 18 CO 0.57 -0.15 0.82 0.00 1.01 0.00 0.00 176.35 178.59 1wff s GLN 19 N -0.94 0.41 -0.06 1.70 -2.07 -1.26 -5.06 119.66 112.38 1wff s GLN 19 Ca 0.21 0.90 -0.04 0.00 -1.82 0.00 0.00 55.36 54.61 1wff s GLN 19 Cb -0.14 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1wff s GLN 19 CO -0.09 -0.28 -0.10 2.41 -1.32 0.00 0.00 175.29 175.91 1wff n THR 20 N 5.31 0.59 -4.00 3.63 -1.04 -1.26 -5.08 114.28 112.43 1wff n THR 20 Ca -0.07 -0.02 -0.23 0.00 -2.04 0.00 0.00 64.05 61.69 1wff n THR 20 Cb 0.52 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 67.33 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 -2.16 2.36 -0.24 -2.82 1.02 -1.26 -5.07 119.74 111.56 1wff s LYS 21 Ca -0.10 -1.65 -0.07 0.00 0.02 0.00 0.00 55.97 54.17 1wff s LYS 21 Cb 0.03 -2.15 -0.13 0.00 -0.52 0.00 0.00 37.83 35.07 1wff s LYS 21 CO 0.13 -0.03 -0.28 0.36 -0.92 0.00 0.00 175.35 174.61 1wff n LYS 22 N -1.26 0.55 -3.65 1.68 2.85 -1.26 -5.07 118.16 112.01 1wff n LYS 22 Ca -0.01 0.19 -0.05 0.00 -1.05 0.00 0.00 58.31 57.40 1wff n LYS 22 Cb 0.63 -1.42 -0.07 0.00 -0.65 0.00 0.00 35.03 33.51 1wff n LYS 22 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1wff s LYS 23 N -2.46 0.18 -0.35 -1.58 -2.85 -1.26 -5.12 119.74 106.30 1wff s LYS 23 Ca -0.34 0.21 -0.41 0.00 -1.00 0.00 0.00 55.97 54.43 1wff s LYS 23 Cb 0.11 0.09 -0.16 0.00 -2.06 0.00 0.00 37.83 35.81 1wff s LYS 23 CO 0.48 -0.02 1.77 -0.89 0.10 0.00 0.00 175.35 176.79 1wff n ILE 24 N 1.77 0.22 -3.84 3.79 5.41 -1.26 -4.90 119.36 120.55 1wff n ILE 24 Ca -0.11 -0.06 -0.28 0.00 1.00 0.00 0.00 62.75 63.30 1wff n ILE 24 Cb 0.57 -1.07 -0.12 0.00 -0.71 0.00 0.00 39.64 38.31 1wff n ILE 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 1wff s MET 25 N 3.79 2.22 0.93 0.38 1.75 -1.26 -4.74 119.30 122.37 1wff s MET 25 Ca 1.02 -3.12 -0.12 0.00 -1.25 0.00 0.00 55.69 52.22 1wff s MET 25 Cb -1.17 -3.15 0.15 0.00 2.84 0.00 0.00 34.83 33.49 1wff s MET 25 CO 0.68 -1.28 1.10 0.15 -0.65 0.00 0.00 175.02 175.02 1wff s LYS 26 N -1.15 0.99 -0.04 4.11 1.02 -1.20 -4.80 119.74 118.67 1wff s LYS 26 Ca 0.25 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.54 1wff s LYS 26 Cb -0.06 -1.80 0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1wff s LYS 26 CO -0.15 -2.37 0.72 -3.38 -0.92 0.00 0.00 175.35 169.24 1wff s HIS 27 N -3.02 -0.60 0.69 3.18 -3.43 -1.26 -1.67 115.29 109.18 1wff s HIS 27 Ca 0.64 0.96 -0.17 0.00 -0.80 0.00 0.00 55.06 55.68 1wff s HIS 27 Cb -0.17 0.44 -0.10 0.00 -1.43 0.00 0.00 32.58 31.31 1wff s HIS 27 CO 0.56 -0.60 0.05 0.00 -2.00 0.00 0.00 174.74 172.75 1wff n PHE 29 N -2.06 0.05 0.00 0.00 7.35 0.30 -3.47 117.46 119.64 1wff n PHE 29 Ca 0.07 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1wff n PHE 29 Cb 0.50 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.37 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 -2.72 0.09 -0.04 -2.13 7.94 -1.26 -4.58 117.00 114.31 1wff n LEU 30 Ca -0.30 0.65 -0.20 0.00 -1.11 0.00 0.00 56.01 55.06 1wff n LEU 30 Cb 1.10 -0.48 -0.13 0.00 0.53 0.00 0.00 43.42 44.44 1wff n LEU 30 CO 0.43 -0.48 -0.21 0.00 -1.11 0.00 0.00 177.39 176.03 1wff n GLY 32 N 1.62 1.92 3.82 0.00 0.00 -1.23 -5.04 105.19 106.28 1wff n GLY 32 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.66 3.89 0.23 1.61 2.20 -1.26 -4.65 119.74 121.10 1wff s LYS 33 Ca 0.00 1.16 -0.31 0.00 -0.36 0.00 0.00 55.97 56.46 1wff s LYS 33 Cb 0.00 -2.12 -0.11 0.00 -1.51 0.00 0.00 37.83 34.09 1wff s LYS 33 CO 0.00 -0.33 1.60 -1.59 -0.36 0.00 0.00 175.35 174.67 1wff s LYS 34 N -3.58 4.17 0.03 4.03 -2.85 -1.26 -1.65 119.74 118.63 1wff s LYS 34 Ca 0.63 2.49 0.00 0.00 -1.00 0.00 0.00 55.97 58.09 1wff s LYS 34 Cb -0.12 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.56 1wff s LYS 34 CO 0.24 -0.63 0.00 0.25 0.10 0.00 0.00 175.35 175.31 1wff n THR 35 N 3.22 0.14 0.00 3.79 -2.24 -1.18 -4.87 114.28 113.14 1wff n THR 35 Ca 0.12 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1wff n THR 35 Cb 0.37 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 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 2.56 1.71 1.20 3.38 0.00 -0.67 -3.50 105.19 109.87 1wff n GLY 36 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.23 0.46 0.99 4.32 -1.26 -3.26 117.00 118.48 1wff n LEU 37 Ca 0.00 0.05 -0.18 0.00 -0.02 0.00 0.00 56.01 55.87 1wff n LEU 37 Cb 0.00 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 41.66 1wff n LEU 37 CO 0.00 -0.27 0.52 0.00 -1.22 0.00 0.00 177.39 176.42 1wff h ALA 38 N 0.00 -1.29 0.72 -1.18 0.00 -2.01 -3.29 119.26 112.21 1wff h ALA 38 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1wff h ALA 38 Cb 0.60 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wff h ALA 38 CO 0.00 -1.20 -0.37 1.15 0.00 0.00 0.00 179.25 178.83 1wff h THR 39 N -1.19 0.25 -0.72 0.00 2.02 -1.90 -3.43 112.91 107.94 1wff h THR 39 Ca -0.12 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.46 1wff h THR 39 Cb 0.89 0.25 0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1wff h THR 39 CO 0.20 0.00 0.23 -1.54 0.37 0.00 0.00 175.52 174.78 1wff n SER 40 N -5.52 0.36 -4.42 4.18 3.41 -1.23 -4.66 113.62 105.73 1wff n SER 40 Ca -0.14 0.85 -0.27 0.00 -0.26 0.00 0.00 58.87 59.05 1wff n SER 40 Cb 0.41 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.90 2.30 -0.16 7.33 0.08 -1.17 -4.88 117.98 122.36 1wff s PHE 41 Ca 0.70 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 57.34 1wff s PHE 41 Cb -0.99 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1wff s PHE 41 CO 0.49 0.48 0.00 -1.21 -0.10 0.00 0.00 175.22 174.88 1wff s GLU 42 N -2.61 3.76 0.20 0.44 8.01 -1.26 -3.30 118.70 123.93 1wff s GLU 42 Ca 0.20 -0.44 0.02 0.00 0.01 0.00 0.00 54.97 54.76 1wff s GLU 42 Cb -0.08 -3.02 -0.04 0.00 -4.31 0.00 0.00 34.13 26.68 1wff s GLU 42 CO 0.09 0.28 0.34 0.00 0.01 0.00 0.00 175.26 175.99 1wff h ARG 44 N 1.77 0.56 -0.38 0.00 2.47 -1.95 0.25 114.38 117.11 1wff h ARG 44 Ca -0.49 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.05 1wff h ARG 44 Cb 1.20 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 1wff h ARG 44 CO 0.66 0.37 -0.32 0.00 0.56 0.00 0.00 179.97 181.24 1wff n GLY 46 N -0.03 2.62 3.67 0.00 0.00 0.88 -5.04 105.19 107.29 1wff n GLY 46 Ca -0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 2.48 -4.73 1.61 3.02 -1.26 -4.40 115.26 111.98 1wff n ASN 47 Ca 0.00 1.19 -0.37 0.00 -0.03 0.00 0.00 54.58 55.37 1wff n ASN 47 Cb 0.00 -1.44 -0.07 0.00 -0.61 0.00 0.00 39.78 37.67 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 -0.25 6.54 0.21 6.41 2.47 -1.26 -3.18 114.94 125.88 1wff s ASN 48 Ca 0.58 0.64 0.04 0.00 0.42 0.00 0.00 52.86 54.54 1wff s ASN 48 Cb -0.61 -2.22 -0.05 0.00 -1.45 0.00 0.00 41.25 36.92 1wff s ASN 48 CO 0.60 0.07 -0.02 -0.36 -3.72 0.00 0.00 177.10 173.67 1wff s PHE 49 N 0.45 1.48 0.97 0.43 0.08 -1.21 0.11 117.98 120.29 1wff s PHE 49 Ca 0.20 -0.90 -0.15 0.00 0.12 0.00 0.00 56.93 56.20 1wff s PHE 49 Cb -0.14 -0.84 0.18 0.00 -0.57 0.00 0.00 43.02 41.65 1wff s PHE 49 CO 0.07 -0.04 1.20 0.00 -0.10 0.00 0.00 175.22 176.35 1wff h ALA 51 N -1.69 2.03 0.01 0.00 0.00 -1.96 2.01 119.26 119.66 1wff h ALA 51 Ca -0.47 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 1wff h ALA 51 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wff h ALA 51 CO 0.49 -0.08 -0.96 1.03 0.00 0.00 0.00 179.25 179.72 1wff h SER 52 N 0.21 0.49 -0.26 0.00 0.87 -1.99 -3.27 113.55 109.60 1wff h SER 52 Ca 0.14 -0.40 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1wff h SER 52 Cb 0.28 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1wff h SER 52 CO -0.02 1.21 -0.08 1.41 -0.53 0.00 0.00 176.83 178.82 1wff n HIS 53 N -3.72 0.83 0.21 2.24 -0.00 -0.55 -4.62 115.22 109.62 1wff n HIS 53 Ca -0.06 -1.31 0.08 0.00 -0.00 0.00 0.00 57.72 56.43 1wff n HIS 53 Cb 0.85 -0.38 0.45 0.00 -0.00 0.00 0.00 29.99 30.91 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 1.12 0.00 -7.22 -0.41 0.11 0.31 -3.39 114.38 104.89 1wff h ARG 54 Ca 0.11 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.69 1wff h ARG 54 Cb 1.47 0.00 0.10 0.00 1.11 0.00 0.00 29.97 32.65 1wff h ARG 54 CO 0.27 0.28 0.37 0.71 0.10 0.00 0.00 179.97 181.69 1wff s TYR 55 N -3.79 2.69 0.02 4.08 1.51 -1.26 -4.80 117.35 115.79 1wff s TYR 55 Ca -0.01 1.54 -0.28 0.00 -1.01 0.00 0.00 57.07 57.31 1wff s TYR 55 Cb 0.12 -3.11 -0.16 0.00 -0.11 0.00 0.00 41.96 38.69 1wff s TYR 55 CO 0.66 -1.61 1.18 0.00 -1.11 0.00 0.00 175.55 174.67 1wff h ALA 56 N -0.13 -1.01 -1.01 3.71 0.00 -1.97 -3.17 119.26 115.68 1wff h ALA 56 Ca -0.46 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.34 1wff h ALA 56 Cb 1.24 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1wff h ALA 56 CO 0.54 -0.94 0.64 1.05 0.00 0.00 0.00 179.25 180.54 1wff h GLU 57 N -1.26 0.99 -1.08 0.00 4.11 -1.93 0.13 114.58 115.55 1wff h GLU 57 Ca -0.10 -0.06 0.35 0.00 0.07 0.00 0.00 59.36 59.62 1wff h GLU 57 Cb 0.77 -0.22 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1wff h GLU 57 CO 0.17 0.66 0.64 0.00 0.07 0.00 0.00 179.01 180.55 1wff h ALA 58 N 1.53 2.17 -0.53 1.06 0.00 -1.88 0.34 119.26 121.95 1wff h ALA 58 Ca 0.49 0.17 -0.38 0.00 0.00 0.00 0.00 54.91 55.18 1wff h ALA 58 Cb 0.45 0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.12 1wff h ALA 58 CO -0.25 -0.78 -0.57 -2.39 0.00 0.00 0.00 179.25 175.26 1wff n HIS 59 N -4.95 1.92 -4.23 0.00 1.44 -0.52 -4.97 115.22 103.92 1wff n HIS 59 Ca 0.33 -2.03 -0.31 0.00 -2.01 0.00 0.00 57.72 53.70 1wff n HIS 59 Cb 1.10 -0.40 -0.09 0.00 0.12 0.00 0.00 29.99 30.72 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 -0.87 -0.17 3.02 -1.39 0.00 0.12 -4.78 105.19 101.12 1wff n GLY 60 Ca 0.38 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 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 2.90 1.91 0.23 0.00 2.85 -1.26 -4.76 115.26 117.13 1wff n ASN 62 Ca 0.03 -3.16 0.13 0.00 -0.11 0.00 0.00 54.58 51.47 1wff n ASN 62 Cb 0.50 -0.43 0.37 0.00 1.24 0.00 0.00 39.78 41.45 1wff n ASN 62 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1wff h TYR 63 N 1.29 0.00 -4.36 1.20 5.03 -1.96 -3.48 116.97 114.70 1wff h TYR 63 Ca -0.03 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.10 1wff h TYR 63 Cb 1.36 0.00 0.11 0.00 1.55 0.00 0.00 36.73 39.76 1wff h TYR 63 CO 0.58 0.06 -0.50 -3.47 -1.32 0.00 0.00 178.16 173.51 1wff n ASP 64 N -3.13 -3.28 0.05 -2.11 2.03 -1.26 -4.86 116.55 103.99 1wff n ASP 64 Ca 0.02 -0.41 0.03 0.00 0.52 0.00 0.00 54.79 54.96 1wff n ASP 64 Cb 0.46 -3.37 0.16 0.00 -0.72 0.00 0.00 41.12 37.65 1wff n ASP 64 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1wff n TYR 65 N -2.76 0.20 -2.08 -0.67 4.01 -1.26 -4.66 117.16 109.95 1wff n TYR 65 Ca -0.12 0.11 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 1wff n TYR 65 Cb 0.59 -0.60 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1wff n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1wff s LYS 66 N -3.05 3.34 -1.57 -0.72 2.47 -1.26 -3.04 119.74 115.92 1wff s LYS 66 Ca -0.01 1.88 -0.13 0.00 -1.56 0.00 0.00 55.97 56.16 1wff s LYS 66 Cb 0.02 -2.19 0.10 0.00 -1.46 0.00 0.00 37.83 34.29 1wff s LYS 66 CO 0.05 -0.92 0.81 0.43 0.16 0.00 0.00 175.35 175.88 1wff n SER 67 N -1.01 -3.35 -4.53 1.43 7.64 -1.26 -4.96 113.62 107.57 1wff n SER 67 Ca 0.10 -0.90 -0.25 0.00 1.01 0.00 0.00 58.87 58.83 1wff n SER 67 Cb 0.48 -3.35 -0.11 0.00 -1.01 0.00 0.00 64.21 60.22 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wff s ALA 68 N -3.42 2.86 0.00 -0.43 0.00 -1.17 -5.14 121.76 114.47 1wff s ALA 68 Ca 0.55 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1wff s ALA 68 Cb -0.29 0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1wff s ALA 68 CO 0.87 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 177.04 1wff n GLY 69 N -0.79 3.61 3.34 0.00 0.00 -1.26 -5.14 105.19 104.94 1wff n GLY 69 Ca -0.05 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.39 -0.44 -3.50 1.61 1.74 -1.26 -4.94 116.66 109.48 1wff n ARG 70 Ca 0.00 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 1wff n ARG 70 Cb 0.00 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 29.63 1wff n ARG 70 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wff s ARG 71 N -3.38 3.74 0.06 5.56 3.00 -1.26 -4.99 118.95 121.68 1wff s ARG 71 Ca 0.54 -0.38 -0.12 0.00 -1.00 0.00 0.00 55.73 54.77 1wff s ARG 71 Cb -0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 34.95 31.00 1wff s ARG 71 CO 0.69 -0.35 0.88 0.66 0.00 0.00 0.00 175.30 177.18 1wff n TYR 72 N 5.19 -0.17 -2.46 5.12 4.01 -1.26 -4.24 117.16 123.36 1wff n TYR 72 Ca -0.12 0.48 -0.39 0.00 -0.16 0.00 0.00 57.90 57.71 1wff n TYR 72 Cb 0.51 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 1wff n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wff s LEU 73 N -7.80 4.44 -0.33 7.72 1.43 -1.26 -4.90 118.68 117.98 1wff s LEU 73 Ca -0.05 2.25 -0.39 0.00 -1.03 0.00 0.00 54.13 54.91 1wff s LEU 73 Cb 0.04 -3.77 -0.15 0.00 0.03 0.00 0.00 46.19 42.35 1wff s LEU 73 CO 0.24 -0.27 1.95 1.21 0.23 0.00 0.00 176.35 179.71 1wff n GLU 74 N 0.84 0.98 -2.26 1.70 2.13 -1.26 -4.89 120.64 117.87 1wff n GLU 74 Ca 0.01 0.32 -0.35 0.00 0.66 0.00 0.00 57.16 57.80 1wff n GLU 74 Cb 0.46 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.02 1wff n GLU 74 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wff s GLU 75 N 4.79 3.40 -1.16 5.31 2.12 -1.26 -4.94 118.70 126.96 1wff s GLU 75 Ca 1.05 1.62 -0.18 0.00 0.36 0.00 0.00 54.97 57.82 1wff s GLU 75 Cb -1.06 -2.04 0.10 0.00 0.26 0.00 0.00 34.13 31.39 1wff s GLU 75 CO 0.60 -0.82 1.50 0.00 -0.54 0.00 0.00 175.26 176.01 1wff s ALA 76 N -1.75 3.36 -0.01 6.30 0.00 -1.26 -4.98 121.76 123.42 1wff s ALA 76 Ca 0.72 -2.86 -0.30 0.00 0.00 0.00 0.00 51.96 49.52 1wff s ALA 76 Cb -0.24 -4.40 -0.06 0.00 0.00 0.00 0.00 23.12 18.42 1wff s ALA 76 CO 0.27 -3.19 1.55 1.21 0.00 0.00 0.00 175.76 175.61 1wff s ASN 77 N 3.95 6.72 -0.98 0.00 2.47 -1.26 -4.90 114.94 120.94 1wff s ASN 77 Ca 0.46 2.24 -0.24 0.00 0.42 0.00 0.00 52.86 55.74 1wff s ASN 77 Cb 0.00 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.19 1wff s ASN 77 CO -0.01 -0.84 1.94 -2.16 -3.72 0.00 0.00 177.10 172.32 1wff s PRO 78 N 3.09 2.54 -0.17 0.43 0.04 -1.26 -4.93 135.00 134.74 1wff s PRO 78 Ca 0.70 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1wff s PRO 78 Cb -0.34 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1wff s PRO 78 CO 0.29 -3.55 -0.15 0.54 0.04 0.00 0.00 177.00 174.16 1wff s VAL 79 N 10.36 2.58 -0.19 -0.36 0.11 -1.26 -5.10 120.40 126.54 1wff s VAL 79 Ca 0.70 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1wff s VAL 79 Cb -0.05 -2.10 0.02 0.00 -1.53 0.00 0.00 36.38 32.73 1wff s VAL 79 CO 0.03 0.51 -0.19 -0.55 -3.33 0.00 0.00 175.10 171.57 1wff s SER 80 N 1.00 3.22 0.00 3.54 0.15 -1.26 -5.05 113.70 115.30 1wff s SER 80 Ca -0.02 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1wff s SER 80 Cb -0.15 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1wff s SER 80 CO -0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1wff n GLY 81 N 4.61 0.86 3.76 9.45 0.00 -1.26 -5.11 105.19 117.50 1wff n GLY 81 Ca -0.21 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.48 2.12 -0.35 1.61 0.04 -1.26 -5.05 135.00 130.63 1wff s PRO 82 Ca 0.00 1.12 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 1wff s PRO 82 Cb 0.00 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.77 1wff s PRO 82 CO 0.00 -1.73 0.15 0.45 0.04 0.00 0.00 177.00 175.91 1wff s SER 83 N -3.39 3.75 -0.30 6.66 0.15 -1.26 -5.07 113.70 114.24 1wff s SER 83 Ca 0.61 -1.95 -0.17 0.00 0.70 0.00 0.00 55.95 55.15 1wff s SER 83 Cb -0.17 -0.81 0.18 0.00 -1.71 0.00 0.00 66.02 63.51 1wff s SER 83 CO 0.56 -0.36 1.14 -0.55 1.20 0.00 0.00 173.24 175.23 1wff s SER 84 N 1.24 -0.32 0.00 5.45 0.15 -1.26 -5.32 113.70 113.64 1wff s SER 84 Ca 0.13 0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.48 1wff s SER 84 Cb -0.20 1.35 1.74 0.00 -1.71 0.00 0.00 66.02 67.21 1wff s SER 84 CO -0.16 -0.06 2.08 0.61 1.20 0.00 0.00 173.24 176.91