#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 -0.09 0.23 1.61 1.04 -1.26 -5.19 113.70 110.04 1wff s SER 2 Ca 0.00 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 1wff s SER 2 Cb 0.00 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1wff s SER 2 CO 0.00 -0.40 0.41 -0.55 0.98 0.00 0.00 173.24 173.68 1wff s SER 3 N -2.93 -0.05 0.00 7.02 0.15 -1.26 -5.18 113.70 111.46 1wff s SER 3 Ca 0.13 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1wff s SER 3 Cb 0.03 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wff s SER 3 CO -0.03 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 173.95 1wff n GLY 4 N -0.34 3.83 3.64 9.45 0.00 -1.26 -5.17 105.19 115.34 1wff n GLY 4 Ca -0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 1wff n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wff s SER 5 N 0.00 -0.71 -0.12 1.61 0.01 -1.26 -5.18 113.70 108.05 1wff s SER 5 Ca 0.00 1.21 -0.32 0.00 1.31 0.00 0.00 55.95 58.15 1wff s SER 5 Cb 0.00 1.27 0.13 0.00 0.21 0.00 0.00 66.02 67.63 1wff s SER 5 CO 0.00 -0.20 1.08 -0.94 0.41 0.00 0.00 173.24 173.59 1wff s SER 6 N 1.09 -0.23 0.00 2.44 1.04 -1.26 -5.15 113.70 111.62 1wff s SER 6 Ca -0.06 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1wff s SER 6 Cb -0.05 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1wff s SER 6 CO -0.12 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1wff n GLY 7 N -0.09 -1.31 3.15 7.32 0.00 -1.26 -5.15 105.19 107.85 1wff n GLY 7 Ca -0.04 0.99 -0.33 0.00 0.00 0.00 0.00 46.02 46.64 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 2.28 -0.24 -0.61 1.01 -1.26 -5.09 121.20 117.29 1wff s ILE 8 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 1wff s ILE 8 Cb 0.00 -2.01 0.07 0.00 0.01 0.00 0.00 42.46 40.53 1wff s ILE 8 CO 0.00 0.47 0.59 -2.28 0.00 0.00 0.00 174.94 173.72 1wff s HIS 9 N 1.30 -0.84 -0.29 3.97 2.46 -1.26 -5.16 115.29 115.48 1wff s HIS 9 Ca 0.04 1.77 -0.20 0.00 0.47 0.00 0.00 55.06 57.14 1wff s HIS 9 Cb -0.14 0.43 0.17 0.00 -0.13 0.00 0.00 32.58 32.91 1wff s HIS 9 CO -0.11 -0.42 1.18 -1.58 -2.47 0.00 0.00 174.74 171.34 1wff s HIS 10 N 1.23 -0.29 -0.20 3.88 5.04 -1.26 -5.15 115.29 118.54 1wff s HIS 10 Ca -0.07 0.63 0.00 0.00 -1.54 0.00 0.00 55.06 54.08 1wff s HIS 10 Cb -0.06 0.30 0.02 0.00 0.04 0.00 0.00 32.58 32.89 1wff s HIS 10 CO -0.13 -0.14 -0.16 -1.17 -2.34 0.00 0.00 174.74 170.80 1wff s LEU 11 N 0.70 2.42 0.82 8.88 2.96 -1.26 -5.12 118.68 128.08 1wff s LEU 11 Ca -0.02 -0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 53.09 1wff s LEU 11 Cb -0.04 -1.54 0.08 0.00 0.50 0.00 0.00 46.19 45.20 1wff s LEU 11 CO -0.12 -0.03 1.09 -2.16 -1.32 0.00 0.00 176.35 173.81 1wff s PRO 12 N 1.30 1.91 0.48 0.98 0.04 -1.26 -5.05 135.00 133.39 1wff s PRO 12 Ca 0.04 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.05 1wff s PRO 12 Cb -0.14 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.65 1wff s PRO 12 CO -0.10 -1.86 0.42 -0.35 0.04 0.00 0.00 177.00 175.15 1wff n PRO 13 N -3.65 -1.85 -3.69 0.56 -0.04 -1.26 -5.10 135.00 119.97 1wff n PRO 13 Ca 0.08 -0.67 -0.11 0.00 -0.04 0.00 0.00 63.50 62.76 1wff n PRO 13 Cb 0.54 -0.63 -0.10 0.00 -0.04 0.00 0.00 33.50 33.27 1wff n PRO 13 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wff s VAL 14 N -1.76 -0.01 -0.17 0.52 0.11 -1.26 -5.16 120.40 112.66 1wff s VAL 14 Ca 0.27 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 59.08 1wff s VAL 14 Cb -0.03 -0.69 0.09 0.00 -1.53 0.00 0.00 36.38 34.23 1wff s VAL 14 CO 0.21 0.02 0.83 -1.59 -3.33 0.00 0.00 175.10 171.24 1wff s LYS 15 N 0.93 0.79 -0.07 1.54 -2.85 -1.26 -5.17 119.74 113.66 1wff s LYS 15 Ca -0.05 0.49 -0.03 0.00 -1.00 0.00 0.00 55.97 55.37 1wff s LYS 15 Cb -0.06 0.38 0.04 0.00 -2.06 0.00 0.00 37.83 36.13 1wff s LYS 15 CO -0.08 -0.19 0.15 0.00 0.10 0.00 0.00 175.35 175.33 1wff s ALA 16 N -0.50 -0.23 -2.00 0.59 0.00 -1.26 -5.01 121.76 113.35 1wff s ALA 16 Ca -0.03 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1wff s ALA 16 Cb -0.02 -0.56 0.25 0.00 0.00 0.00 0.00 23.12 22.78 1wff s ALA 16 CO 0.03 -0.28 0.71 -0.35 0.00 0.00 0.00 175.76 175.88 1wff n PRO 17 N 4.54 0.49 -2.41 0.00 -0.04 -1.26 -4.61 135.00 131.70 1wff n PRO 17 Ca -0.20 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.89 1wff n PRO 17 Cb 0.51 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.80 1wff n PRO 17 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wff s LEU 18 N -1.26 3.39 -0.07 1.53 1.02 -1.26 -4.90 118.68 117.12 1wff s LEU 18 Ca 0.06 -1.15 -0.26 0.00 0.02 0.00 0.00 54.13 52.81 1wff s LEU 18 Cb 0.03 -2.57 0.06 0.00 0.02 0.00 0.00 46.19 43.73 1wff s LEU 18 CO 0.05 -1.88 0.58 -1.10 0.02 0.00 0.00 176.35 174.01 1wff s GLN 19 N 5.61 0.91 -0.16 1.70 -1.52 -1.26 -5.16 119.66 119.78 1wff s GLN 19 Ca 0.52 0.23 0.01 0.00 -1.95 0.00 0.00 55.36 54.17 1wff s GLN 19 Cb -0.02 0.43 0.00 0.00 -0.22 0.00 0.00 33.01 33.20 1wff s GLN 19 CO -0.06 -0.26 -0.17 0.95 -0.25 0.00 0.00 175.29 175.51 1wff s THR 20 N -1.00 2.48 -0.15 -0.19 -4.23 -1.26 -5.09 115.64 106.20 1wff s THR 20 Ca -0.10 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1wff s THR 20 Cb -0.02 -2.04 0.07 0.00 1.34 0.00 0.00 72.50 71.85 1wff s THR 20 CO 0.07 0.52 0.18 -0.54 -0.54 0.00 0.00 174.62 174.31 1wff s LYS 21 N 0.97 0.11 -0.29 3.99 1.02 -1.26 -5.13 119.74 119.16 1wff s LYS 21 Ca -0.03 0.33 -0.16 0.00 0.02 0.00 0.00 55.97 56.14 1wff s LYS 21 Cb -0.15 -0.87 0.12 0.00 -0.52 0.00 0.00 37.83 36.42 1wff s LYS 21 CO -0.03 -0.50 0.87 -1.59 -0.92 0.00 0.00 175.35 173.18 1wff s LYS 22 N 2.29 0.50 0.04 1.68 -2.85 -1.26 -5.17 119.74 114.97 1wff s LYS 22 Ca 0.04 0.86 0.09 0.00 -1.00 0.00 0.00 55.97 55.96 1wff s LYS 22 Cb -0.14 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.70 1wff s LYS 22 CO -0.09 -0.10 -0.25 0.15 0.10 0.00 0.00 175.35 175.15 1wff s LYS 23 N 1.43 1.74 0.01 1.78 -0.14 -1.26 -5.09 119.74 118.21 1wff s LYS 23 Ca -0.09 -1.08 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 1wff s LYS 23 Cb -0.04 -1.90 -0.08 0.00 -1.68 0.00 0.00 37.83 34.13 1wff s LYS 23 CO -0.17 0.49 1.96 0.42 -0.76 0.00 0.00 175.35 177.30 1wff s ILE 24 N -0.80 3.07 -0.47 2.17 1.01 -1.26 -4.95 121.20 119.97 1wff s ILE 24 Ca 0.11 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1wff s ILE 24 Cb -0.10 -3.05 0.14 0.00 0.01 0.00 0.00 42.46 39.46 1wff s ILE 24 CO 0.02 -0.01 0.27 -0.04 0.00 0.00 0.00 174.94 175.18 1wff s MET 25 N 4.58 1.47 0.84 2.79 -1.94 -1.26 -4.97 119.30 120.80 1wff s MET 25 Ca 0.88 -2.22 -0.11 0.00 -1.71 0.00 0.00 55.69 52.54 1wff s MET 25 Cb -0.41 -2.52 0.10 0.00 2.01 0.00 0.00 34.83 34.01 1wff s MET 25 CO 0.40 -1.18 1.12 0.15 -0.01 0.00 0.00 175.02 175.51 1wff s LYS 26 N 0.08 1.66 -0.27 2.03 1.02 -1.25 -4.88 119.74 118.13 1wff s LYS 26 Ca 0.19 1.39 -0.23 0.00 0.02 0.00 0.00 55.97 57.34 1wff s LYS 26 Cb -0.21 -1.81 0.09 0.00 -0.52 0.00 0.00 37.83 35.37 1wff s LYS 26 CO -0.02 -2.13 0.79 -3.38 -0.92 0.00 0.00 175.35 169.69 1wff s HIS 27 N -2.72 -0.76 0.55 3.18 -3.43 -1.26 -2.84 115.29 108.00 1wff s HIS 27 Ca 0.65 1.77 -0.18 0.00 -0.80 0.00 0.00 55.06 56.50 1wff s HIS 27 Cb -0.21 0.35 -0.14 0.00 -1.43 0.00 0.00 32.58 31.15 1wff s HIS 27 CO 0.56 -0.37 -0.13 0.00 -2.00 0.00 0.00 174.74 172.80 1wff n PHE 29 N -1.61 0.00 0.05 0.00 7.35 0.15 -3.30 117.46 120.10 1wff n PHE 29 Ca 0.07 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.74 1wff n PHE 29 Cb 0.48 -0.67 -0.01 0.00 0.35 0.00 0.00 39.48 39.62 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 -0.15 0.04 -2.13 5.85 -1.91 -3.41 115.31 113.60 1wff h LEU 30 Ca -0.21 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.22 1wff h LEU 30 Cb 1.45 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 1wff h LEU 30 CO 0.01 0.10 -1.66 0.00 -0.34 0.00 0.00 178.44 176.55 1wff n GLY 32 N 1.64 1.99 3.81 0.00 0.00 -1.21 -5.04 105.19 106.38 1wff n GLY 32 Ca -0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.68 4.28 0.27 1.61 2.20 -1.26 -4.70 119.74 121.46 1wff s LYS 33 Ca 0.00 0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 1wff s LYS 33 Cb 0.00 -2.90 -0.11 0.00 -1.51 0.00 0.00 37.83 33.31 1wff s LYS 33 CO 0.00 0.40 1.57 -1.59 -0.36 0.00 0.00 175.35 175.37 1wff s LYS 34 N -1.93 4.16 0.06 4.03 0.00 -1.26 -1.28 119.74 123.51 1wff s LYS 34 Ca 0.43 2.51 0.00 0.00 0.00 0.00 0.00 55.97 58.91 1wff s LYS 34 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 37.83 34.61 1wff s LYS 34 CO 0.21 -0.60 0.00 0.25 0.00 0.00 0.00 175.35 175.21 1wff n THR 35 N 2.43 0.41 0.00 3.79 -2.24 -1.16 -4.88 114.28 112.64 1wff n THR 35 Ca 0.09 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1wff n THR 35 Cb 0.38 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 2.88 1.18 1.42 3.38 0.00 -1.13 -3.82 105.19 109.09 1wff n GLY 36 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.24 0.26 0.99 0.00 -1.26 -3.87 117.00 113.35 1wff n LEU 37 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 56.01 55.97 1wff n LEU 37 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 43.42 43.33 1wff n LEU 37 CO 0.00 -0.44 0.64 0.00 0.00 0.00 0.00 177.39 177.59 1wff h ALA 38 N 0.00 -0.63 -0.41 1.96 0.00 -2.04 -3.14 119.26 115.00 1wff h ALA 38 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1wff h ALA 38 Cb 0.35 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wff h ALA 38 CO 0.00 -0.79 -0.19 1.15 0.00 0.00 0.00 179.25 179.41 1wff h THR 39 N -0.75 1.27 -2.44 0.00 2.02 -1.90 -3.43 112.91 107.67 1wff h THR 39 Ca -0.06 -1.30 -0.55 0.00 0.77 0.00 0.00 66.41 65.26 1wff h THR 39 Cb 0.54 1.16 0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1wff h THR 39 CO 0.11 0.44 0.92 -1.54 0.37 0.00 0.00 175.52 175.81 1wff n SER 40 N -4.12 3.56 -4.50 4.18 3.41 -1.19 -4.23 113.62 110.73 1wff n SER 40 Ca 0.00 1.06 -0.24 0.00 -0.26 0.00 0.00 58.87 59.44 1wff n SER 40 Cb 0.42 -1.50 -0.10 0.00 -0.26 0.00 0.00 64.21 62.77 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 1.25 2.21 -0.14 7.33 0.08 -1.22 -4.84 117.98 122.64 1wff s PHE 41 Ca 0.78 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 57.25 1wff s PHE 41 Cb -0.59 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 1wff s PHE 41 CO 0.36 0.45 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.74 1wff s GLU 42 N -3.66 3.13 0.34 0.44 2.12 -1.26 -3.74 118.70 116.07 1wff s GLU 42 Ca 0.31 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.86 1wff s GLU 42 Cb 0.03 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 1wff s GLU 42 CO 0.15 0.04 0.52 0.00 -0.54 0.00 0.00 175.26 175.43 1wff h ARG 44 N 0.79 0.28 -0.07 0.00 3.08 -1.93 0.40 114.38 116.91 1wff h ARG 44 Ca -0.49 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.35 1wff h ARG 44 Cb 1.23 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1wff h ARG 44 CO 0.60 0.18 -0.76 0.00 -1.07 0.00 0.00 179.97 178.91 1wff n GLY 46 N 0.63 0.84 3.68 0.00 0.00 0.14 -5.05 105.19 105.43 1wff n GLY 46 Ca -0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 2.43 -4.69 1.61 3.02 -1.26 -4.47 115.26 111.90 1wff n ASN 47 Ca 0.00 1.16 -0.39 0.00 -0.03 0.00 0.00 54.58 55.32 1wff n ASN 47 Cb 0.00 -1.46 -0.06 0.00 -0.61 0.00 0.00 39.78 37.65 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 -0.44 6.64 0.34 6.41 2.47 -1.26 -3.41 114.94 125.69 1wff s ASN 48 Ca 0.58 0.77 0.04 0.00 0.42 0.00 0.00 52.86 54.68 1wff s ASN 48 Cb -0.56 -2.30 -0.07 0.00 -1.45 0.00 0.00 41.25 36.88 1wff s ASN 48 CO 0.60 -0.10 0.05 -0.36 -3.72 0.00 0.00 177.10 173.58 1wff s PHE 49 N 1.13 2.07 0.58 0.43 0.08 -1.25 0.32 117.98 121.34 1wff s PHE 49 Ca 0.26 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.32 1wff s PHE 49 Cb -0.15 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1wff s PHE 49 CO 0.10 0.09 0.93 0.00 -0.10 0.00 0.00 175.22 176.24 1wff h ALA 51 N -0.15 2.16 0.09 0.00 0.00 -1.97 1.85 119.26 121.25 1wff h ALA 51 Ca -0.45 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 1wff h ALA 51 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1wff h ALA 51 CO 0.62 -0.86 -1.40 1.03 0.00 0.00 0.00 179.25 178.64 1wff h SER 52 N 0.00 0.31 -0.19 0.00 0.87 -1.96 -3.34 113.55 109.25 1wff h SER 52 Ca 0.21 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1wff h SER 52 Cb 1.48 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 1wff h SER 52 CO -0.00 1.32 -0.05 1.41 -0.53 0.00 0.00 176.83 178.98 1wff n HIS 53 N -3.43 0.66 0.20 2.24 -0.00 0.21 -4.64 115.22 110.46 1wff n HIS 53 Ca -0.12 -1.12 0.04 0.00 -0.00 0.00 0.00 57.72 56.52 1wff n HIS 53 Cb 1.02 -0.31 0.42 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 1.08 0.01 -7.17 -0.41 0.11 0.24 -3.40 114.38 104.83 1wff h ARG 54 Ca 0.05 -0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.64 1wff h ARG 54 Cb 1.35 -0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.49 1wff h ARG 54 CO 0.19 0.29 0.38 0.71 0.10 0.00 0.00 179.97 181.64 1wff s TYR 55 N -4.40 2.96 0.03 4.08 1.51 -1.26 -4.72 117.35 115.55 1wff s TYR 55 Ca -0.03 1.52 -0.28 0.00 -1.01 0.00 0.00 57.07 57.27 1wff s TYR 55 Cb 0.15 -3.04 -0.16 0.00 -0.11 0.00 0.00 41.96 38.81 1wff s TYR 55 CO 0.71 -1.12 1.25 0.00 -1.11 0.00 0.00 175.55 175.29 1wff h ALA 56 N 0.63 -1.10 -1.01 3.71 0.00 -1.97 -3.07 119.26 116.45 1wff h ALA 56 Ca -0.47 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.44 1wff h ALA 56 Cb 1.22 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 19.29 1wff h ALA 56 CO 0.57 -1.02 0.60 1.05 0.00 0.00 0.00 179.25 180.46 1wff h GLU 57 N -1.18 0.60 -0.97 0.00 4.11 -1.93 0.16 114.58 115.37 1wff h GLU 57 Ca -0.10 -0.04 0.23 0.00 0.07 0.00 0.00 59.36 59.52 1wff h GLU 57 Cb 0.78 -0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.78 1wff h GLU 57 CO 0.17 0.40 0.55 0.00 0.07 0.00 0.00 179.01 180.19 1wff h ALA 58 N 1.70 1.67 -0.22 1.06 0.00 -1.86 0.00 119.26 121.62 1wff h ALA 58 Ca 0.62 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.54 1wff h ALA 58 Cb 1.15 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1wff h ALA 58 CO -0.44 -0.25 -0.29 -2.39 0.00 0.00 0.00 179.25 175.89 1wff n HIS 59 N -4.91 0.68 -4.17 0.00 1.44 0.40 -4.98 115.22 103.69 1wff n HIS 59 Ca 0.25 -1.60 -0.38 0.00 -2.01 0.00 0.00 57.72 53.97 1wff n HIS 59 Cb 0.69 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 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 -1.11 -0.49 3.18 -1.39 0.00 -0.01 -4.77 105.19 100.60 1wff n GLY 60 Ca 0.28 0.26 -0.39 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 2.36 1.62 -4.33 0.00 3.02 -1.26 -4.97 115.26 111.69 1wff n ASN 62 Ca 0.09 -0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1wff n ASN 62 Cb 0.43 -0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.46 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wff n TYR 63 N -3.17 -1.99 -3.12 3.10 9.36 -1.26 -4.87 117.16 115.21 1wff n TYR 63 Ca -0.43 0.48 -0.45 0.00 3.32 0.00 0.00 57.90 60.82 1wff n TYR 63 Cb 1.02 -1.80 -0.04 0.00 -0.63 0.00 0.00 39.34 37.90 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 -1.04 6.32 -0.11 2.98 -1.08 -1.26 -4.84 116.67 117.65 1wff s ASP 64 Ca 0.61 -1.70 0.15 0.00 -0.52 0.00 0.00 52.55 51.09 1wff s ASP 64 Cb -0.51 -2.30 0.53 0.00 -1.46 0.00 0.00 42.92 39.19 1wff s ASP 64 CO 0.62 -1.03 1.45 0.00 0.52 0.00 0.00 175.17 176.73 1wff n TYR 65 N 6.00 1.01 -2.73 -5.34 0.18 -1.26 -4.93 117.16 110.09 1wff n TYR 65 Ca -0.02 -0.67 -0.42 0.00 1.88 0.00 0.00 57.90 58.66 1wff n TYR 65 Cb 0.44 -0.21 -0.03 0.00 -0.38 0.00 0.00 39.34 39.16 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 -1.96 4.36 -0.86 -3.48 2.20 -1.26 -3.61 119.74 115.13 1wff s LYS 66 Ca 0.40 1.29 -0.05 0.00 -0.36 0.00 0.00 55.97 57.25 1wff s LYS 66 Cb 0.27 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1wff s LYS 66 CO 0.16 -0.37 0.75 0.43 -0.36 0.00 0.00 175.35 175.96 1wff n SER 67 N 5.30 -4.45 -0.20 1.43 7.64 -1.26 -4.93 113.62 117.15 1wff n SER 67 Ca 0.08 -0.36 -0.08 0.00 1.01 0.00 0.00 58.87 59.53 1wff n SER 67 Cb 0.48 -3.44 0.02 0.00 -1.01 0.00 0.00 64.21 60.26 1wff n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wff h ALA 68 N 0.65 0.73 0.00 -0.43 0.00 -1.92 -3.48 119.26 114.80 1wff h ALA 68 Ca -0.37 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1wff h ALA 68 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wff h ALA 68 CO 0.36 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1wff n GLY 69 N -0.74 4.61 3.51 0.00 0.00 -1.26 -5.18 105.19 106.13 1wff n GLY 69 Ca 0.03 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.85 1.00 -0.30 1.61 1.70 -1.26 -5.14 118.95 111.71 1wff s ARG 70 Ca 0.00 0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.33 1wff s ARG 70 Cb 0.00 0.47 0.09 0.00 -0.57 0.00 0.00 34.95 34.94 1wff s ARG 70 CO 0.00 -0.35 0.02 0.50 -1.08 0.00 0.00 175.30 174.39 1wff s ARG 71 N -1.84 1.39 0.06 3.89 3.00 -1.26 -5.11 118.95 119.08 1wff s ARG 71 Ca -0.06 -1.43 -0.10 0.00 -1.00 0.00 0.00 55.73 53.15 1wff s ARG 71 Cb -0.00 -2.74 -0.06 0.00 0.00 0.00 0.00 34.95 32.15 1wff s ARG 71 CO 0.02 -0.84 0.38 -0.47 0.00 0.00 0.00 175.30 174.40 1wff s TYR 72 N 1.21 3.59 -0.36 5.12 6.14 -1.26 -4.99 117.35 126.80 1wff s TYR 72 Ca 0.05 0.77 -0.41 0.00 0.64 0.00 0.00 57.07 58.13 1wff s TYR 72 Cb -0.19 -2.14 -0.16 0.00 0.42 0.00 0.00 41.96 39.89 1wff s TYR 72 CO -0.11 0.54 1.89 1.28 0.64 0.00 0.00 175.55 179.79 1wff n LEU 73 N 1.00 1.92 -4.40 6.97 4.77 -1.26 -4.78 117.00 121.23 1wff n LEU 73 Ca -0.09 0.88 -0.47 0.00 -0.03 0.00 0.00 56.01 56.30 1wff n LEU 73 Cb 0.52 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1wff n LEU 73 CO 0.42 -0.60 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.23 1wff n GLU 74 N 6.18 0.06 -4.30 3.23 1.02 -1.26 -4.97 120.64 120.59 1wff n GLU 74 Ca 0.35 0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 57.33 1wff n GLU 74 Cb 0.10 -1.04 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 1wff n GLU 74 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1wff s GLU 75 N -1.03 0.77 0.25 3.49 2.12 -1.26 -5.16 118.70 117.89 1wff s GLU 75 Ca 0.63 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 55.44 1wff s GLU 75 Cb -0.89 -0.73 -0.05 0.00 0.26 0.00 0.00 34.13 32.71 1wff s GLU 75 CO 0.57 0.18 -0.04 0.00 -0.54 0.00 0.00 175.26 175.44 1wff s ALA 76 N -0.68 2.04 0.15 6.30 0.00 -1.26 -5.14 121.76 123.18 1wff s ALA 76 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.91 1wff s ALA 76 Cb -0.06 0.31 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1wff s ALA 76 CO 0.00 -0.15 0.76 0.54 0.00 0.00 0.00 175.76 176.91 1wff s ASN 77 N -3.36 7.36 1.22 0.00 4.22 -1.26 -5.07 114.94 118.05 1wff s ASN 77 Ca 0.28 1.61 -0.18 0.00 -2.14 0.00 0.00 52.86 52.43 1wff s ASN 77 Cb 0.04 -2.49 0.27 0.00 1.28 0.00 0.00 41.25 40.36 1wff s ASN 77 CO 0.10 0.21 0.95 -0.81 -2.04 0.00 0.00 177.10 175.51 1wff n PRO 78 N 1.64 -2.87 -3.62 3.55 -0.04 -1.26 -5.10 135.00 127.30 1wff n PRO 78 Ca -0.06 -1.53 -0.05 0.00 -0.04 0.00 0.00 63.50 61.82 1wff n PRO 78 Cb 0.49 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.73 0.00 0.30 0.52 0.11 -1.26 -5.19 120.40 112.15 1wff s VAL 79 Ca 0.62 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 1wff s VAL 79 Cb -0.06 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1wff s VAL 79 CO 0.47 0.00 0.69 -0.44 -3.33 0.00 0.00 175.10 172.50 1wff s SER 80 N -1.04 -0.13 -0.29 3.54 0.01 -1.26 -5.18 113.70 109.35 1wff s SER 80 Ca 0.05 -0.81 -0.21 0.00 1.31 0.00 0.00 55.95 56.28 1wff s SER 80 Cb -0.01 0.74 0.14 0.00 0.21 0.00 0.00 66.02 67.10 1wff s SER 80 CO -0.04 -1.40 1.05 -0.83 0.41 0.00 0.00 173.24 172.43 1wff s GLY 81 N -2.98 -0.03 1.23 3.44 0.00 -1.26 -5.18 107.32 102.54 1wff s GLY 81 Ca 0.14 2.96 -0.20 0.00 0.00 0.00 0.00 44.72 47.62 1wff s GLY 81 CO 0.09 2.16 1.11 2.56 0.00 0.00 0.00 173.10 179.02 1wff s PRO 82 N 0.66 -1.45 0.24 2.90 0.04 -1.26 -5.10 135.00 131.03 1wff s PRO 82 Ca -0.01 -0.16 -0.01 0.00 0.04 0.00 0.00 61.00 60.87 1wff s PRO 82 Cb -0.04 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 1wff s PRO 82 CO -0.11 -3.85 0.21 -1.12 0.04 0.00 0.00 177.00 172.18 1wff s SER 83 N -3.97 0.47 1.21 6.66 0.01 -1.26 -5.16 113.70 111.66 1wff s SER 83 Ca 0.72 -1.42 -0.15 0.00 1.31 0.00 0.00 55.95 56.41 1wff s SER 83 Cb -0.08 0.45 0.28 0.00 0.21 0.00 0.00 66.02 66.88 1wff s SER 83 CO 0.56 -0.94 0.83 -0.24 0.41 0.00 0.00 173.24 173.86 1wff n SER 84 N -0.59 -2.17 0.00 2.44 2.88 -1.26 -5.39 113.62 109.53 1wff n SER 84 Ca 0.03 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1wff n SER 84 Cb 0.65 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1wff n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42