#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 5.90 -0.05 1.61 0.15 -1.26 -5.11 113.70 114.94 1wff s SER 2 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1wff s SER 2 Cb 0.00 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1wff s SER 2 CO 0.00 0.14 -0.04 -0.44 1.20 0.00 0.00 173.24 174.10 1wff s SER 3 N -2.66 1.14 -0.00 5.45 0.01 -1.26 -4.92 113.70 111.46 1wff s SER 3 Ca 0.32 -0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.45 1wff s SER 3 Cb -0.12 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1wff s SER 3 CO 0.25 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1wff n GLY 4 N 4.32 -0.32 3.30 3.44 0.00 -1.26 -5.01 105.19 109.67 1wff n GLY 4 Ca -0.20 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.97 6.80 0.05 1.61 0.15 -1.26 -4.97 113.70 114.10 1wff s SER 5 Ca 0.00 -3.07 -0.27 0.00 0.70 0.00 0.00 55.95 53.30 1wff s SER 5 Cb -0.00 -2.17 0.10 0.00 -1.71 0.00 0.00 66.02 62.24 1wff s SER 5 CO 0.00 -0.44 1.20 -0.55 1.20 0.00 0.00 173.24 174.66 1wff s SER 6 N 1.63 -0.02 0.92 5.45 0.15 -1.26 -5.18 113.70 115.38 1wff s SER 6 Ca 0.23 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1wff s SER 6 Cb -0.11 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wff s SER 6 CO -0.08 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1wff n GLY 7 N -0.71 -1.03 3.67 9.45 0.00 -1.26 -5.06 105.19 110.24 1wff n GLY 7 Ca -0.02 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.89 4.64 -0.68 -0.61 1.01 -1.26 -5.05 121.20 118.36 1wff s ILE 8 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 1wff s ILE 8 Cb 0.00 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.45 1wff s ILE 8 CO 0.00 0.53 1.42 -2.28 0.00 0.00 0.00 174.94 174.62 1wff s HIS 9 N -0.21 2.16 0.01 3.97 2.46 -1.26 -4.99 115.29 117.43 1wff s HIS 9 Ca 0.07 0.23 0.01 0.00 0.47 0.00 0.00 55.06 55.84 1wff s HIS 9 Cb -0.12 -4.47 -0.04 0.00 -0.13 0.00 0.00 32.58 27.82 1wff s HIS 9 CO 0.02 -2.10 0.03 -3.38 -2.47 0.00 0.00 174.74 166.84 1wff s HIS 10 N 6.50 3.15 0.48 3.88 -3.43 -1.26 -5.11 115.29 119.49 1wff s HIS 10 Ca 0.45 0.11 -0.16 0.00 -0.80 0.00 0.00 55.06 54.66 1wff s HIS 10 Cb -0.09 -1.68 -0.08 0.00 -1.43 0.00 0.00 32.58 29.30 1wff s HIS 10 CO 0.18 0.50 0.94 -0.51 -2.00 0.00 0.00 174.74 173.85 1wff s LEU 11 N -1.73 3.70 -0.19 5.38 1.43 -1.26 -5.00 118.68 121.01 1wff s LEU 11 Ca 0.22 1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 1wff s LEU 11 Cb -0.12 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1wff s LEU 11 CO 0.13 -0.52 1.59 -2.16 0.23 0.00 0.00 176.35 175.61 1wff s PRO 12 N -3.91 3.89 1.01 1.29 0.04 -1.26 -5.01 135.00 131.05 1wff s PRO 12 Ca 0.58 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1wff s PRO 12 Cb -0.10 -4.00 0.25 0.00 0.04 0.00 0.00 34.50 30.69 1wff s PRO 12 CO 0.29 -1.18 0.90 -0.35 0.04 0.00 0.00 177.00 176.70 1wff n PRO 13 N 7.49 -2.78 -4.58 0.56 -0.04 -1.26 -5.08 135.00 129.31 1wff n PRO 13 Ca 0.18 -1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.99 1wff n PRO 13 Cb 0.45 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.62 1.02 1.08 0.52 1.01 -1.26 -5.14 120.40 115.01 1wff s VAL 14 Ca 0.58 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 1wff s VAL 14 Cb -0.06 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1wff s VAL 14 CO 0.45 0.29 -0.47 0.29 0.00 0.00 0.00 175.10 175.66 1wff n LYS 15 N 2.89 -1.16 -4.12 2.72 4.76 -1.26 -5.03 118.16 116.97 1wff n LYS 15 Ca -0.15 -0.33 -0.15 0.00 -2.87 0.00 0.00 58.31 54.81 1wff n LYS 15 Cb 0.55 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 32.14 1wff n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wff s ALA 16 N -2.15 0.49 -0.77 7.82 0.00 -1.26 -5.09 121.76 120.81 1wff s ALA 16 Ca 0.48 -0.46 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1wff s ALA 16 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1wff s ALA 16 CO 0.64 0.05 1.90 -1.25 0.00 0.00 0.00 175.76 177.10 1wff s PRO 17 N -0.75 2.59 -0.11 0.00 0.04 -1.26 -4.94 135.00 130.57 1wff s PRO 17 Ca -0.03 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.15 1wff s PRO 17 Cb -0.05 -4.75 0.02 0.00 0.04 0.00 0.00 34.50 29.76 1wff s PRO 17 CO 0.00 -3.07 -0.14 -0.51 0.04 0.00 0.00 177.00 173.32 1wff s LEU 18 N 9.59 1.64 0.14 -3.56 1.43 -1.26 -5.13 118.68 121.52 1wff s LEU 18 Ca 0.69 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 1wff s LEU 18 Cb -0.09 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1wff s LEU 18 CO 0.09 -0.00 -0.12 -1.58 0.23 0.00 0.00 176.35 174.97 1wff s GLN 19 N 1.07 1.05 -0.87 1.70 2.00 -1.26 -5.04 119.66 118.31 1wff s GLN 19 Ca -0.05 -1.36 -0.22 0.00 -2.00 0.00 0.00 55.36 51.72 1wff s GLN 19 Cb -0.15 -0.75 -0.19 0.00 0.80 0.00 0.00 33.01 32.72 1wff s GLN 19 CO -0.02 0.12 2.05 2.41 -0.50 0.00 0.00 175.29 179.35 1wff n THR 20 N 0.11 0.00 -3.15 -0.34 -1.04 -1.26 -4.68 114.28 103.92 1wff n THR 20 Ca -0.12 -0.22 0.05 0.00 -2.04 0.00 0.00 64.05 61.72 1wff n THR 20 Cb 0.59 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 67.46 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 8.12 0.31 0.18 -2.82 1.02 -1.26 -5.18 119.74 120.11 1wff s LYS 21 Ca 0.77 0.52 -0.13 0.00 0.02 0.00 0.00 55.97 57.15 1wff s LYS 21 Cb -0.11 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.49 1wff s LYS 21 CO 0.16 -0.38 0.39 -1.59 -0.92 0.00 0.00 175.35 173.01 1wff s LYS 22 N 2.92 1.25 0.08 1.68 -2.85 -1.26 -5.17 119.74 116.39 1wff s LYS 22 Ca 0.08 -1.05 -0.06 0.00 -1.00 0.00 0.00 55.97 53.94 1wff s LYS 22 Cb -0.11 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1wff s LYS 22 CO -0.16 -0.49 0.13 0.15 0.10 0.00 0.00 175.35 175.08 1wff s LYS 23 N -3.93 0.78 0.05 1.78 1.02 -1.26 -5.13 119.74 113.05 1wff s LYS 23 Ca 0.14 -1.04 -0.31 0.00 0.02 0.00 0.00 55.97 54.78 1wff s LYS 23 Cb 0.01 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 1wff s LYS 23 CO -0.01 -0.22 1.41 0.42 -0.92 0.00 0.00 175.35 176.02 1wff s ILE 24 N -3.88 3.53 -1.05 2.17 1.01 -1.26 -4.92 121.20 116.80 1wff s ILE 24 Ca 0.06 1.01 -0.23 0.00 0.00 0.00 0.00 60.65 61.49 1wff s ILE 24 Cb 0.06 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1wff s ILE 24 CO -0.10 0.03 1.80 -0.32 0.00 0.00 0.00 174.94 176.35 1wff s MET 25 N 1.89 2.96 -0.21 2.79 -2.45 -1.26 -4.83 119.30 118.20 1wff s MET 25 Ca 0.65 -0.91 -0.32 0.00 -1.25 0.00 0.00 55.69 53.86 1wff s MET 25 Cb -0.34 -5.24 0.15 0.00 1.25 0.00 0.00 34.83 30.66 1wff s MET 25 CO 0.28 -3.11 1.20 -1.59 1.05 0.00 0.00 175.02 172.86 1wff s LYS 26 N 6.06 0.31 -0.29 4.11 -2.85 -1.26 -5.18 119.74 120.63 1wff s LYS 26 Ca 0.62 -0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 55.32 1wff s LYS 26 Cb -0.02 0.14 0.17 0.00 -2.06 0.00 0.00 37.83 36.06 1wff s LYS 26 CO 0.02 -0.12 1.29 -3.38 0.10 0.00 0.00 175.35 173.26 1wff s HIS 27 N -1.72 -0.20 0.26 1.78 -3.43 -1.26 -4.39 115.29 106.33 1wff s HIS 27 Ca 0.07 0.49 -0.16 0.00 -0.80 0.00 0.00 55.06 54.65 1wff s HIS 27 Cb -0.01 0.42 -0.12 0.00 -1.43 0.00 0.00 32.58 31.45 1wff s HIS 27 CO -0.04 -0.10 0.13 0.00 -2.00 0.00 0.00 174.74 172.73 1wff n PHE 29 N -0.57 0.59 0.02 0.00 7.35 0.15 -2.92 117.46 122.09 1wff n PHE 29 Ca 0.09 0.18 -0.01 0.00 -0.76 0.00 0.00 57.45 56.95 1wff n PHE 29 Cb 0.26 -0.84 -0.01 0.00 0.35 0.00 0.00 39.48 39.25 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 -0.07 0.02 -2.13 5.85 -1.90 -3.42 115.31 113.66 1wff h LEU 30 Ca -0.07 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.39 1wff h LEU 30 Cb 1.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1wff h LEU 30 CO 0.01 0.07 -1.45 0.00 -0.34 0.00 0.00 178.44 176.73 1wff n GLY 32 N 1.51 1.83 3.73 0.00 0.00 -1.15 -5.04 105.19 106.07 1wff n GLY 32 Ca -0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.07 2.12 -1.19 1.61 2.20 -1.26 -4.60 119.74 118.54 1wff s LYS 33 Ca 0.00 1.59 -0.06 0.00 -0.36 0.00 0.00 55.97 57.13 1wff s LYS 33 Cb 0.00 -1.85 0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1wff s LYS 33 CO 0.00 -1.81 2.66 1.63 -0.36 0.00 0.00 175.35 177.46 1wff n LYS 34 N -2.97 3.92 -1.61 4.03 4.01 -1.26 -1.30 118.16 122.97 1wff n LYS 34 Ca 0.12 -2.85 -0.55 0.00 -0.51 0.00 0.00 58.31 54.51 1wff n LYS 34 Cb 0.51 -2.56 -0.07 0.00 -0.51 0.00 0.00 35.03 32.40 1wff n LYS 34 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1wff n THR 35 N 2.09 0.07 0.00 -0.18 -2.24 -1.26 -4.96 114.28 107.80 1wff n THR 35 Ca 0.63 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 1wff n THR 35 Cb 0.33 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 2.82 0.69 0.06 3.38 0.00 -1.26 -4.62 105.19 106.27 1wff n GLY 36 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1wff n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wff h LEU 37 N 0.00 0.00 0.04 0.99 5.85 -1.92 -3.33 115.31 116.93 1wff h LEU 37 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wff h LEU 37 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1wff h LEU 37 CO 0.00 0.61 -0.02 0.00 -0.34 0.00 0.00 178.44 178.69 1wff h ALA 38 N -1.04 -0.06 -0.96 1.25 0.00 -2.02 -3.29 119.26 113.14 1wff h ALA 38 Ca 0.00 -0.32 0.31 0.00 0.00 0.00 0.00 54.91 54.90 1wff h ALA 38 Cb 0.26 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.91 1wff h ALA 38 CO 0.00 -0.16 0.34 1.15 0.00 0.00 0.00 179.25 180.58 1wff h THR 39 N -0.80 0.16 -3.45 0.00 2.02 -1.93 -3.39 112.91 105.52 1wff h THR 39 Ca -0.01 -0.04 -0.52 0.00 0.77 0.00 0.00 66.41 66.61 1wff h THR 39 Cb 0.67 0.01 0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1wff h THR 39 CO 0.01 0.02 0.69 -0.94 0.37 0.00 0.00 175.52 175.67 1wff s SER 40 N -4.88 6.80 0.05 4.18 1.04 -1.24 -2.36 113.70 117.29 1wff s SER 40 Ca -0.11 2.53 -0.00 0.00 0.48 0.00 0.00 55.95 58.85 1wff s SER 40 Cb 0.30 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 1wff s SER 40 CO 0.78 -0.59 -0.04 -0.36 0.98 0.00 0.00 173.24 174.02 1wff s PHE 41 N -0.10 0.51 -0.13 5.02 0.08 -1.07 -4.95 117.98 117.35 1wff s PHE 41 Ca 0.57 -0.90 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 1wff s PHE 41 Cb -0.39 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1wff s PHE 41 CO 0.42 -0.29 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.21 1wff s GLU 42 N -3.24 3.41 0.33 0.44 2.12 -1.26 -2.73 118.70 117.77 1wff s GLU 42 Ca 0.02 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 54.89 1wff s GLU 42 Cb 0.03 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.57 1wff s GLU 42 CO -0.07 0.38 0.47 0.00 -0.54 0.00 0.00 175.26 175.50 1wff h ARG 44 N 0.90 0.45 -0.44 0.00 2.47 -1.93 -0.29 114.38 115.53 1wff h ARG 44 Ca -0.47 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.09 1wff h ARG 44 Cb 1.25 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1wff h ARG 44 CO 0.55 0.30 -0.25 0.00 0.56 0.00 0.00 179.97 181.12 1wff n GLY 46 N -0.10 1.60 3.74 0.00 0.00 -0.12 -5.02 105.19 105.29 1wff n GLY 46 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1wff n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wff s ASN 47 N -2.00 5.94 -0.22 1.61 0.01 -1.26 -4.86 114.94 114.16 1wff s ASN 47 Ca 0.00 0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 52.11 1wff s ASN 47 Cb 0.00 -1.95 0.01 0.00 0.41 0.00 0.00 41.25 39.71 1wff s ASN 47 CO 0.00 0.28 1.01 0.21 -1.51 0.00 0.00 177.10 177.09 1wff s ASN 48 N -0.26 7.08 0.40 -1.22 2.47 -1.26 -3.26 114.94 118.90 1wff s ASN 48 Ca 0.09 1.36 0.04 0.00 0.42 0.00 0.00 52.86 54.77 1wff s ASN 48 Cb -0.12 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.10 1wff s ASN 48 CO 0.01 -0.63 0.05 -0.36 -3.72 0.00 0.00 177.10 172.45 1wff s PHE 49 N 3.05 2.04 0.76 0.43 0.08 -1.10 0.33 117.98 123.57 1wff s PHE 49 Ca 0.43 -0.96 -0.09 0.00 0.12 0.00 0.00 56.93 56.44 1wff s PHE 49 Cb -0.15 -1.45 0.08 0.00 -0.57 0.00 0.00 43.02 40.93 1wff s PHE 49 CO 0.07 0.10 1.09 0.00 -0.10 0.00 0.00 175.22 176.38 1wff h ALA 51 N -0.82 2.07 0.01 0.00 0.00 -1.82 1.99 119.26 120.69 1wff h ALA 51 Ca -0.45 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 1wff h ALA 51 Cb 1.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wff h ALA 51 CO 0.59 -0.18 -1.14 1.03 0.00 0.00 0.00 179.25 179.56 1wff h SER 52 N 0.00 0.03 -0.25 0.00 0.87 -1.92 -3.30 113.55 108.98 1wff h SER 52 Ca 0.07 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wff h SER 52 Cb 0.28 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1wff h SER 52 CO -0.00 1.03 0.00 1.41 -0.53 0.00 0.00 176.83 178.74 1wff n HIS 53 N -3.31 0.77 0.01 2.24 -0.00 -0.39 -4.60 115.22 109.94 1wff n HIS 53 Ca -0.04 -0.82 -0.03 0.00 -0.00 0.00 0.00 57.72 56.84 1wff n HIS 53 Cb 0.96 -0.25 0.21 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 1.65 0.49 -6.68 -0.41 0.11 0.30 -3.40 114.38 106.44 1wff h ARG 54 Ca 0.00 -0.18 -0.52 0.00 0.10 0.00 0.00 59.98 59.38 1wff h ARG 54 Cb 1.27 -0.03 0.04 0.00 1.11 0.00 0.00 29.97 32.35 1wff h ARG 54 CO 0.16 0.69 0.66 0.71 0.10 0.00 0.00 179.97 182.29 1wff s TYR 55 N -4.55 3.23 0.18 4.08 1.51 -1.26 -4.71 117.35 115.84 1wff s TYR 55 Ca -0.07 1.21 -0.19 0.00 -1.01 0.00 0.00 57.07 57.01 1wff s TYR 55 Cb 0.14 -3.62 0.13 0.00 -0.11 0.00 0.00 41.96 38.50 1wff s TYR 55 CO 0.79 -1.95 1.61 0.00 -1.11 0.00 0.00 175.55 174.89 1wff h ALA 56 N 5.33 0.07 -0.97 3.71 0.00 -1.97 0.49 119.26 125.92 1wff h ALA 56 Ca -0.45 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1wff h ALA 56 Cb 1.21 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1wff h ALA 56 CO 0.77 -0.60 0.62 1.05 0.00 0.00 0.00 179.25 181.09 1wff h GLU 57 N -0.14 1.07 -1.10 0.00 4.11 -1.94 0.15 114.58 116.73 1wff h GLU 57 Ca 0.22 -0.06 0.34 0.00 0.07 0.00 0.00 59.36 59.93 1wff h GLU 57 Cb 0.50 -0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.37 1wff h GLU 57 CO -0.58 0.71 0.67 0.00 0.07 0.00 0.00 179.01 179.88 1wff h ALA 58 N 1.46 2.24 -0.59 1.06 0.00 -1.21 0.19 119.26 122.40 1wff h ALA 58 Ca 0.43 0.14 -0.43 0.00 0.00 0.00 0.00 54.91 55.04 1wff h ALA 58 Cb 0.22 0.14 -0.35 0.00 0.00 0.00 0.00 17.79 17.80 1wff h ALA 58 CO -0.19 -0.81 -0.77 -2.39 0.00 0.00 0.00 179.25 175.09 1wff n HIS 59 N -4.86 2.17 -3.98 0.00 1.44 -0.65 -4.97 115.22 104.38 1wff n HIS 59 Ca 0.32 -2.07 -0.33 0.00 -2.01 0.00 0.00 57.72 53.63 1wff n HIS 59 Cb 1.09 -0.32 -0.00 0.00 0.12 0.00 0.00 29.99 30.88 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 -0.78 -0.52 3.23 -1.39 0.00 0.66 -4.74 105.19 101.65 1wff n GLY 60 Ca 0.38 0.22 -0.39 0.00 0.00 0.00 0.00 46.02 46.24 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 2.56 2.32 -4.64 0.00 5.15 -1.26 -4.98 115.26 114.41 1wff n ASN 62 Ca 0.07 -0.08 -0.48 0.00 -0.60 0.00 0.00 54.58 53.49 1wff n ASN 62 Cb 0.48 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wff n TYR 63 N -3.18 2.01 -2.55 1.20 9.36 -1.26 -4.90 117.16 117.84 1wff n TYR 63 Ca -0.37 0.40 -0.43 0.00 3.32 0.00 0.00 57.90 60.82 1wff n TYR 63 Cb 0.88 -2.47 -0.02 0.00 -0.63 0.00 0.00 39.34 37.10 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 0.72 7.09 -0.56 2.98 2.15 -1.26 -4.91 116.67 122.89 1wff s ASP 64 Ca 0.80 1.63 0.06 0.00 0.43 0.00 0.00 52.55 55.47 1wff s ASP 64 Cb -0.77 -2.55 0.29 0.00 -0.30 0.00 0.00 42.92 39.60 1wff s ASP 64 CO 0.41 -0.60 0.80 0.00 -0.17 0.00 0.00 175.17 175.61 1wff n TYR 65 N 5.64 3.01 -0.08 -5.34 0.18 -1.26 -4.81 117.16 114.51 1wff n TYR 65 Ca 0.11 -4.00 -0.10 0.00 1.88 0.00 0.00 57.90 55.79 1wff n TYR 65 Cb 0.47 -0.50 -0.15 0.00 -0.38 0.00 0.00 39.34 38.78 1wff n TYR 65 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1wff n LYS 66 N 0.44 0.67 -2.39 -3.48 2.85 -1.26 -4.53 118.16 110.47 1wff n LYS 66 Ca 0.29 0.08 -0.10 0.00 -1.05 0.00 0.00 58.31 57.52 1wff n LYS 66 Cb 0.44 -1.59 0.04 0.00 -0.65 0.00 0.00 35.03 33.27 1wff n LYS 66 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wff n SER 67 N -2.87 3.05 -4.28 -5.58 2.88 -1.26 -5.06 113.62 100.50 1wff n SER 67 Ca -0.30 -2.83 -0.25 0.00 -1.33 0.00 0.00 58.87 54.16 1wff n SER 67 Cb 1.12 -0.41 -0.13 0.00 -0.75 0.00 0.00 64.21 64.04 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 -3.61 1.81 0.00 -1.46 0.00 -1.26 -5.08 121.76 112.16 1wff s ALA 68 Ca 0.38 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1wff s ALA 68 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1wff s ALA 68 CO -0.01 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1wff n GLY 69 N 1.29 2.93 0.39 0.00 0.00 -1.26 -4.79 105.19 103.75 1wff n GLY 69 Ca -0.19 -1.96 0.20 0.00 0.00 0.00 0.00 46.02 44.06 1wff n GLY 69 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wff h ARG 70 N 0.00 0.00 -5.80 1.61 0.11 -2.06 -3.39 114.38 104.84 1wff h ARG 70 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1wff h ARG 70 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1wff h ARG 70 CO 0.00 0.00 1.56 -2.13 0.10 0.00 0.00 179.97 179.50 1wff n ARG 71 N -3.43 1.43 -1.32 0.08 0.00 -1.26 -4.93 116.66 107.23 1wff n ARG 71 Ca 0.07 0.27 -0.31 0.00 -0.00 0.00 0.00 57.85 57.89 1wff n ARG 71 Cb 0.71 -3.19 0.10 0.00 0.00 0.00 0.00 32.46 30.07 1wff n ARG 71 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1wff s TYR 72 N 9.86 2.62 0.14 -0.14 -0.85 -1.26 -4.91 117.35 122.81 1wff s TYR 72 Ca 1.02 1.43 0.04 0.00 -0.52 0.00 0.00 57.07 59.04 1wff s TYR 72 Cb -0.35 -3.05 -0.04 0.00 0.38 0.00 0.00 41.96 38.90 1wff s TYR 72 CO 0.33 -1.84 0.18 -0.51 -1.52 0.00 0.00 175.55 172.18 1wff s LEU 73 N -5.92 4.00 -0.04 -3.49 1.43 -1.26 -5.12 118.68 108.28 1wff s LEU 73 Ca 0.61 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1wff s LEU 73 Cb -0.17 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 1wff s LEU 73 CO 0.56 0.09 -0.21 -1.83 0.23 0.00 0.00 176.35 175.19 1wff s GLU 74 N -2.98 2.00 -0.02 1.70 1.03 -1.26 -5.14 118.70 114.03 1wff s GLU 74 Ca 0.32 -0.74 0.05 0.00 0.03 0.00 0.00 54.97 54.62 1wff s GLU 74 Cb -0.11 -1.77 -0.01 0.00 -0.80 0.00 0.00 34.13 31.44 1wff s GLU 74 CO 0.25 0.35 -0.16 -2.00 -1.33 0.00 0.00 175.26 172.37 1wff s GLU 75 N -0.18 1.36 0.00 -4.83 2.12 -1.26 -5.02 118.70 110.89 1wff s GLU 75 Ca -0.00 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 54.74 1wff s GLU 75 Cb -0.11 -1.28 -0.12 0.00 0.26 0.00 0.00 34.13 32.88 1wff s GLU 75 CO 0.02 0.31 2.69 0.00 -0.54 0.00 0.00 175.26 177.73 1wff n ALA 76 N 2.82 5.00 -2.79 6.30 0.00 -1.26 -4.86 120.51 125.72 1wff n ALA 76 Ca -0.15 -0.81 -0.22 0.00 0.00 0.00 0.00 53.44 52.25 1wff n ALA 76 Cb 0.54 -1.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1wff n ALA 76 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wff s ASN 77 N 2.01 5.34 1.20 0.00 -0.87 -1.26 -5.13 114.94 116.23 1wff s ASN 77 Ca 0.30 -0.32 -0.19 0.00 -1.57 0.00 0.00 52.86 51.08 1wff s ASN 77 Cb 0.14 -1.30 0.28 0.00 -0.02 0.00 0.00 41.25 40.35 1wff s ASN 77 CO 0.00 -0.03 1.11 -2.16 -2.57 0.00 0.00 177.10 173.45 1wff s PRO 78 N -3.80 -1.17 -0.04 -0.60 0.04 -1.26 -5.07 135.00 123.10 1wff s PRO 78 Ca 0.33 -0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.36 1wff s PRO 78 Cb -0.08 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 1wff s PRO 78 CO 0.24 -3.68 -0.19 0.08 0.04 0.00 0.00 177.00 173.49 1wff s VAL 79 N -3.01 1.58 0.36 -0.36 1.01 -1.26 -5.13 120.40 113.59 1wff s VAL 79 Ca 0.71 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1wff s VAL 79 Cb -0.10 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1wff s VAL 79 CO 0.56 0.45 0.57 -0.94 0.00 0.00 0.00 175.10 175.74 1wff s SER 80 N -0.17 0.71 -0.60 3.32 1.04 -1.26 -5.12 113.70 111.63 1wff s SER 80 Ca 0.00 -1.41 -0.13 0.00 0.48 0.00 0.00 55.95 54.89 1wff s SER 80 Cb -0.11 0.72 0.15 0.00 0.10 0.00 0.00 66.02 66.89 1wff s SER 80 CO 0.01 -1.42 0.52 -0.83 0.98 0.00 0.00 173.24 172.51 1wff s GLY 81 N -3.20 2.24 0.97 7.32 0.00 -1.26 -5.07 107.32 108.32 1wff s GLY 81 Ca 0.26 -2.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.10 1wff s GLY 81 CO 0.18 1.19 1.09 2.56 0.00 0.00 0.00 173.10 178.12 1wff s PRO 82 N 1.11 0.67 0.35 2.90 0.04 -1.26 -5.05 135.00 133.76 1wff s PRO 82 Ca 0.08 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1wff s PRO 82 Cb -0.24 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1wff s PRO 82 CO -0.01 -2.59 0.56 -1.54 0.04 0.00 0.00 177.00 173.46 1wff s SER 83 N -3.44 6.30 -0.07 6.66 1.04 -1.26 -4.97 113.70 117.96 1wff s SER 83 Ca 0.65 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.54 1wff s SER 83 Cb -0.18 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1wff s SER 83 CO 0.57 -0.30 2.50 -1.20 0.98 0.00 0.00 173.24 175.79 1wff n SER 84 N -1.77 5.53 0.00 7.02 7.64 -1.26 -5.32 113.62 125.46 1wff n SER 84 Ca -0.04 -2.56 0.05 0.00 1.01 0.00 0.00 58.87 57.32 1wff n SER 84 Cb 0.56 -1.21 0.27 0.00 -1.01 0.00 0.00 64.21 62.83 1wff n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64