#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 -0.26 1.61 0.15 -1.26 -5.08 113.70 108.72 1wff s SER 2 Ca 0.00 -0.79 -0.07 0.00 0.70 0.00 0.00 55.95 55.79 1wff s SER 2 Cb 0.00 0.59 -0.15 0.00 -1.71 0.00 0.00 66.02 64.75 1wff s SER 2 CO 0.00 -1.13 -0.25 -1.20 1.20 0.00 0.00 173.24 171.85 1wff n SER 3 N -0.37 1.97 -0.69 5.45 7.64 -1.26 -5.12 113.62 121.24 1wff n SER 3 Ca -0.04 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wff n SER 3 Cb 0.62 -0.66 -0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1wff n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wff n GLY 4 N 1.70 -3.35 3.50 0.23 0.00 -1.26 -5.08 105.19 100.94 1wff n GLY 4 Ca -0.49 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.07 -0.63 -0.20 1.61 0.01 -1.26 -5.18 113.70 103.98 1wff s SER 5 Ca 0.00 0.70 -0.29 0.00 1.31 0.00 0.00 55.95 57.67 1wff s SER 5 Cb 0.00 0.56 0.14 0.00 0.21 0.00 0.00 66.02 66.94 1wff s SER 5 CO 0.00 -0.58 1.10 -0.55 0.41 0.00 0.00 173.24 173.62 1wff s SER 6 N -1.13 -0.29 0.13 2.44 0.15 -1.26 -5.19 113.70 108.55 1wff s SER 6 Ca -0.11 0.35 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1wff s SER 6 Cb -0.01 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1wff s SER 6 CO 0.09 -0.24 1.03 -0.83 1.20 0.00 0.00 173.24 174.49 1wff s GLY 7 N -0.93 -0.18 -0.24 9.45 0.00 -1.26 -5.18 107.32 108.97 1wff s GLY 7 Ca 0.01 0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.58 1wff s GLY 7 CO -0.02 0.58 0.92 -1.50 0.00 0.00 0.00 173.10 173.08 1wff s ILE 8 N -2.90 0.00 -0.29 0.90 2.07 -1.26 -5.17 121.20 114.55 1wff s ILE 8 Ca 0.15 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.23 1wff s ILE 8 Cb -0.01 -1.00 0.17 0.00 0.13 0.00 0.00 42.46 41.76 1wff s ILE 8 CO 0.02 0.00 1.10 -1.38 -1.91 0.00 0.00 174.94 172.77 1wff s HIS 9 N -0.04 -0.37 -0.07 3.50 -3.43 -1.26 -5.18 115.29 108.44 1wff s HIS 9 Ca 0.00 0.73 -0.32 0.00 -0.80 0.00 0.00 55.06 54.67 1wff s HIS 9 Cb -0.04 0.22 0.12 0.00 -1.43 0.00 0.00 32.58 31.46 1wff s HIS 9 CO -0.02 -0.18 1.25 -1.58 -2.00 0.00 0.00 174.74 172.20 1wff s HIS 10 N 1.39 -0.08 -0.08 0.38 5.04 -1.26 -5.16 115.29 115.52 1wff s HIS 10 Ca -0.07 -0.02 0.01 0.00 -1.54 0.00 0.00 55.06 53.44 1wff s HIS 10 Cb -0.03 0.54 0.02 0.00 0.04 0.00 0.00 32.58 33.15 1wff s HIS 10 CO -0.13 -0.27 -0.10 -1.17 -2.34 0.00 0.00 174.74 170.72 1wff s LEU 11 N -2.71 1.47 0.25 8.88 2.96 -1.26 -5.13 118.68 123.14 1wff s LEU 11 Ca 0.12 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 1wff s LEU 11 Cb 0.03 -0.83 -0.09 0.00 0.50 0.00 0.00 46.19 45.80 1wff s LEU 11 CO -0.04 -0.03 1.27 -2.16 -1.32 0.00 0.00 176.35 174.07 1wff s PRO 12 N 1.08 4.43 1.17 0.98 0.04 -1.26 -5.03 135.00 136.40 1wff s PRO 12 Ca -0.07 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 1wff s PRO 12 Cb -0.14 -3.16 0.27 0.00 0.04 0.00 0.00 34.50 31.51 1wff s PRO 12 CO -0.01 -0.15 1.11 -1.25 0.04 0.00 0.00 177.00 176.74 1wff s PRO 13 N -0.84 -0.94 -0.18 0.56 0.04 -1.26 -5.08 135.00 127.29 1wff s PRO 13 Ca 0.52 0.03 -0.04 0.00 0.04 0.00 0.00 61.00 61.55 1wff s PRO 13 Cb -0.36 -1.62 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1wff s PRO 13 CO 0.43 -3.55 0.23 0.54 0.04 0.00 0.00 177.00 174.70 1wff s VAL 14 N -3.00 -0.35 -0.30 -0.36 0.11 -1.26 -5.11 120.40 110.13 1wff s VAL 14 Ca 0.70 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.64 1wff s VAL 14 Cb -0.11 -0.62 0.18 0.00 -1.53 0.00 0.00 36.38 34.30 1wff s VAL 14 CO 0.56 -0.12 0.98 -0.75 -3.33 0.00 0.00 175.10 172.44 1wff s LYS 15 N 2.35 0.24 -0.23 1.54 2.20 -1.26 -5.17 119.74 119.42 1wff s LYS 15 Ca 0.06 0.40 -0.18 0.00 -0.36 0.00 0.00 55.97 55.88 1wff s LYS 15 Cb -0.15 0.21 0.06 0.00 -1.51 0.00 0.00 37.83 36.45 1wff s LYS 15 CO -0.11 -0.30 0.59 0.00 -0.36 0.00 0.00 175.35 175.17 1wff s ALA 16 N 2.94 -1.48 0.65 3.13 0.00 -1.26 -5.16 121.76 120.57 1wff s ALA 16 Ca 0.06 1.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.65 1wff s ALA 16 Cb -0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1wff s ALA 16 CO -0.14 -0.30 1.11 -1.25 0.00 0.00 0.00 175.76 175.18 1wff s PRO 17 N 0.69 2.84 -1.30 0.00 0.04 -1.26 -4.94 135.00 131.08 1wff s PRO 17 Ca -0.03 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1wff s PRO 17 Cb -0.05 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1wff s PRO 17 CO -0.05 -1.22 1.74 -0.11 0.04 0.00 0.00 177.00 177.40 1wff n LEU 18 N -2.34 5.45 -4.09 -3.56 0.00 -1.26 -4.90 117.00 106.30 1wff n LEU 18 Ca 0.10 -4.17 -0.13 0.00 0.00 0.00 0.00 56.01 51.82 1wff n LEU 18 Cb 0.52 -1.68 -0.05 0.00 0.00 0.00 0.00 43.42 42.21 1wff n LEU 18 CO 0.47 0.56 0.08 -1.10 0.00 0.00 0.00 177.39 177.40 1wff s GLN 19 N 3.00 1.70 0.57 1.96 -0.21 -1.26 -5.15 119.66 120.27 1wff s GLN 19 Ca 0.49 -1.62 -0.18 0.00 0.02 0.00 0.00 55.36 54.06 1wff s GLN 19 Cb 0.04 0.42 -0.05 0.00 1.00 0.00 0.00 33.01 34.42 1wff s GLN 19 CO 0.03 -0.69 1.13 0.95 -2.12 0.00 0.00 175.29 174.59 1wff s THR 20 N -3.49 3.15 -0.06 -0.19 -4.23 -1.26 -5.00 115.64 104.57 1wff s THR 20 Ca 0.30 0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 61.40 1wff s THR 20 Cb 0.01 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1wff s THR 20 CO 0.16 -0.19 -0.18 1.17 -0.54 0.00 0.00 174.62 175.04 1wff n LYS 21 N -1.55 0.27 -4.14 3.99 4.81 -1.26 -5.06 118.16 115.22 1wff n LYS 21 Ca 0.11 0.11 -0.15 0.00 -0.87 0.00 0.00 58.31 57.51 1wff n LYS 21 Cb 0.51 -0.97 -0.14 0.00 0.02 0.00 0.00 35.03 34.45 1wff n LYS 21 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1wff s LYS 22 N -2.42 0.43 -0.10 1.64 2.20 -1.26 -5.15 119.74 115.08 1wff s LYS 22 Ca -0.15 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1wff s LYS 22 Cb 0.03 -0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 35.95 1wff s LYS 22 CO 0.22 0.10 -0.16 0.15 -0.36 0.00 0.00 175.35 175.30 1wff s LYS 23 N -0.30 3.04 -0.14 4.03 1.02 -1.26 -5.06 119.74 121.07 1wff s LYS 23 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1wff s LYS 23 Cb -0.03 -2.48 -0.14 0.00 -0.52 0.00 0.00 37.83 34.66 1wff s LYS 23 CO -0.00 0.32 0.89 -0.89 -0.92 0.00 0.00 175.35 174.75 1wff n ILE 24 N 3.17 0.00 -4.21 2.17 5.41 -1.26 -4.91 119.36 119.73 1wff n ILE 24 Ca -0.18 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.24 1wff n ILE 24 Cb 0.53 -0.14 -0.15 0.00 -0.71 0.00 0.00 39.64 39.16 1wff n ILE 24 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1wff s MET 25 N 0.82 3.12 0.21 0.38 -1.94 -1.26 -5.12 119.30 115.51 1wff s MET 25 Ca 0.67 -0.77 0.11 0.00 -1.71 0.00 0.00 55.69 53.99 1wff s MET 25 Cb -0.95 -2.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 1wff s MET 25 CO 0.47 -0.14 -0.21 0.15 -0.01 0.00 0.00 175.02 175.27 1wff s LYS 26 N 1.19 1.62 -0.15 2.03 1.02 -1.26 -5.14 119.74 119.04 1wff s LYS 26 Ca 0.02 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.18 1wff s LYS 26 Cb -0.14 -1.88 0.12 0.00 -0.52 0.00 0.00 37.83 35.41 1wff s LYS 26 CO -0.07 0.39 0.94 -3.38 -0.92 0.00 0.00 175.35 172.31 1wff s HIS 27 N -1.81 -0.43 0.49 3.18 -3.43 -1.26 -3.47 115.29 108.56 1wff s HIS 27 Ca 0.23 0.77 -0.17 0.00 -0.80 0.00 0.00 55.06 55.09 1wff s HIS 27 Cb -0.08 0.44 -0.14 0.00 -1.43 0.00 0.00 32.58 31.37 1wff s HIS 27 CO 0.11 -0.38 -0.15 0.00 -2.00 0.00 0.00 174.74 172.32 1wff n PHE 29 N -1.45 0.20 0.01 0.00 7.35 0.22 -3.30 117.46 120.51 1wff n PHE 29 Ca 0.07 0.07 -0.01 0.00 -0.76 0.00 0.00 57.45 56.82 1wff n PHE 29 Cb 0.44 -0.89 -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 1.25 -0.76 0.00 0.00 176.76 177.25 1wff h LEU 30 N 0.00 -0.03 0.04 -2.13 5.85 -1.91 -3.41 115.31 113.72 1wff h LEU 30 Ca -0.34 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.14 1wff h LEU 30 Cb 1.81 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 1wff h LEU 30 CO 0.03 -0.00 -1.31 0.00 -0.34 0.00 0.00 178.44 176.82 1wff n GLY 32 N 1.60 1.76 3.80 0.00 0.00 -1.21 -5.04 105.19 106.11 1wff n GLY 32 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.14 3.69 0.39 1.61 2.20 -1.26 -4.58 119.74 121.65 1wff s LYS 33 Ca 0.00 1.30 -0.26 0.00 -0.36 0.00 0.00 55.97 56.64 1wff s LYS 33 Cb 0.00 -2.08 -0.09 0.00 -1.51 0.00 0.00 37.83 34.15 1wff s LYS 33 CO 0.00 -0.52 1.30 -1.59 -0.36 0.00 0.00 175.35 174.19 1wff s LYS 34 N -3.49 4.03 -0.08 4.03 0.00 -1.26 -0.17 119.74 122.80 1wff s LYS 34 Ca 0.66 2.16 -0.02 0.00 0.00 0.00 0.00 55.97 58.77 1wff s LYS 34 Cb -0.16 -2.80 0.04 0.00 0.00 0.00 0.00 37.83 34.91 1wff s LYS 34 CO 0.25 -0.44 0.05 0.95 0.00 0.00 0.00 175.35 176.16 1wff s THR 35 N -1.25 0.02 0.00 3.79 -4.23 -1.23 -4.79 115.64 107.96 1wff s THR 35 Ca 0.56 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1wff s THR 35 Cb -0.38 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1wff s THR 35 CO 0.49 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 1wff n GLY 36 N 5.25 -1.59 0.34 3.99 0.00 -1.26 -4.58 105.19 107.34 1wff n GLY 36 Ca -0.05 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.41 1wff n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wff h LEU 37 N 0.00 0.89 0.00 0.99 3.38 -2.00 -1.81 115.31 116.77 1wff h LEU 37 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wff h LEU 37 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1wff h LEU 37 CO 0.00 0.56 -0.07 0.00 0.09 0.00 0.00 178.44 179.02 1wff h ALA 38 N 1.44 0.00 -1.02 1.53 0.00 -2.05 -3.36 119.26 115.80 1wff h ALA 38 Ca 0.41 -0.14 0.36 0.00 0.00 0.00 0.00 54.91 55.54 1wff h ALA 38 Cb 0.22 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 1wff h ALA 38 CO -0.19 0.07 0.65 2.41 0.00 0.00 0.00 179.25 182.19 1wff n THR 39 N -2.95 -0.21 -1.80 0.00 -1.04 -1.24 -4.21 114.28 102.83 1wff n THR 39 Ca -0.01 1.40 -0.42 0.00 -2.04 0.00 0.00 64.05 62.98 1wff n THR 39 Cb 0.03 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.23 1wff n THR 39 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1wff s SER 40 N -4.38 6.46 0.40 8.00 1.04 -0.68 -4.13 113.70 120.41 1wff s SER 40 Ca -0.06 2.43 0.08 0.00 0.48 0.00 0.00 55.95 58.87 1wff s SER 40 Cb 0.24 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 1wff s SER 40 CO 0.62 -1.08 0.25 -0.36 0.98 0.00 0.00 173.24 173.65 1wff s PHE 41 N 4.60 2.67 -0.12 5.02 0.08 -1.24 -4.98 117.98 124.00 1wff s PHE 41 Ca 0.83 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1wff s PHE 41 Cb -0.38 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1wff s PHE 41 CO 0.37 0.10 -0.15 -2.00 -0.10 0.00 0.00 175.22 173.44 1wff s GLU 42 N -3.98 2.23 0.28 0.44 2.12 -1.26 -4.12 118.70 114.41 1wff s GLU 42 Ca 0.43 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.24 1wff s GLU 42 Cb 0.00 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.41 1wff s GLU 42 CO 0.25 -0.12 0.43 0.00 -0.54 0.00 0.00 175.26 175.27 1wff h ARG 44 N 1.01 0.21 0.03 0.00 2.47 -1.94 0.72 114.38 116.88 1wff h ARG 44 Ca -0.51 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 57.97 1wff h ARG 44 Cb 1.23 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1wff h ARG 44 CO 0.61 0.14 -1.00 0.00 0.56 0.00 0.00 179.97 180.27 1wff n GLY 46 N 1.08 2.12 3.48 0.00 0.00 0.25 -5.07 105.19 107.04 1wff n GLY 46 Ca -0.06 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 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 0.01 -0.32 -4.62 1.61 3.02 -1.26 -4.33 115.26 109.37 1wff n ASN 47 Ca 0.00 1.07 -0.39 0.00 -0.03 0.00 0.00 54.58 55.24 1wff n ASN 47 Cb 0.00 -1.11 -0.09 0.00 -0.61 0.00 0.00 39.78 37.97 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 -0.83 6.29 0.37 6.41 4.22 -1.26 -3.56 114.94 126.57 1wff s ASN 48 Ca 0.62 0.34 0.08 0.00 -2.14 0.00 0.00 52.86 51.75 1wff s ASN 48 Cb -0.75 -2.22 -0.07 0.00 1.28 0.00 0.00 41.25 39.49 1wff s ASN 48 CO 0.58 -0.17 -0.04 -0.36 -2.04 0.00 0.00 177.10 175.07 1wff s PHE 49 N 1.98 2.40 0.72 1.54 0.08 -1.26 -0.61 117.98 122.83 1wff s PHE 49 Ca 0.16 -0.61 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 1wff s PHE 49 Cb -0.16 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1wff s PHE 49 CO 0.09 0.47 1.07 0.00 -0.10 0.00 0.00 175.22 176.76 1wff h ALA 51 N -0.76 1.83 0.07 0.00 0.00 -1.95 1.91 119.26 120.37 1wff h ALA 51 Ca -0.45 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 1wff h ALA 51 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1wff h ALA 51 CO 0.59 -0.61 -1.43 1.03 0.00 0.00 0.00 179.25 178.83 1wff h SER 52 N 0.00 0.24 -0.17 0.00 0.87 -1.95 -3.34 113.55 109.20 1wff h SER 52 Ca 0.12 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1wff h SER 52 Cb 1.08 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1wff h SER 52 CO -0.00 1.28 -0.01 1.41 -0.53 0.00 0.00 176.83 178.98 1wff n HIS 53 N -3.37 0.62 0.19 2.24 -0.00 0.14 -4.63 115.22 110.40 1wff n HIS 53 Ca -0.13 -0.94 0.04 0.00 -0.00 0.00 0.00 57.72 56.69 1wff n HIS 53 Cb 1.02 -0.26 0.43 0.00 -0.00 0.00 0.00 29.99 31.18 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 1.16 0.06 -6.87 -0.41 0.11 0.26 -3.41 114.38 105.29 1wff h ARG 54 Ca 0.01 -0.02 -0.50 0.00 0.10 0.00 0.00 59.98 59.57 1wff h ARG 54 Cb 1.30 -0.01 0.02 0.00 1.11 0.00 0.00 29.97 32.39 1wff h ARG 54 CO 0.15 0.29 0.45 0.71 0.10 0.00 0.00 179.97 181.67 1wff s TYR 55 N -4.54 3.46 0.08 4.08 1.51 -1.26 -4.68 117.35 116.00 1wff s TYR 55 Ca -0.04 1.68 -0.31 0.00 -1.01 0.00 0.00 57.07 57.39 1wff s TYR 55 Cb 0.15 -3.22 -0.14 0.00 -0.11 0.00 0.00 41.96 38.64 1wff s TYR 55 CO 0.71 -0.57 1.49 0.00 -1.11 0.00 0.00 175.55 176.07 1wff h ALA 56 N 3.31 -1.04 -1.21 3.71 0.00 -1.97 -0.98 119.26 121.08 1wff h ALA 56 Ca -0.47 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 54.65 1wff h ALA 56 Cb 1.21 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 1wff h ALA 56 CO 0.65 -1.11 0.87 1.05 0.00 0.00 0.00 179.25 180.71 1wff h GLU 57 N -0.79 0.01 -0.93 0.00 4.11 -1.94 0.42 114.58 115.46 1wff h GLU 57 Ca -0.03 -0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.46 1wff h GLU 57 Cb 0.73 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1wff h GLU 57 CO -0.14 0.01 0.60 0.00 0.07 0.00 0.00 179.01 179.55 1wff h ALA 58 N 1.40 1.49 -0.22 1.06 0.00 -1.48 -2.52 119.26 118.99 1wff h ALA 58 Ca 0.58 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.32 1wff h ALA 58 Cb 2.29 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.70 1wff h ALA 58 CO -0.02 0.37 -0.46 -2.39 0.00 0.00 0.00 179.25 176.74 1wff n HIS 59 N -4.49 0.77 -4.08 0.00 1.44 0.14 -4.99 115.22 104.02 1wff n HIS 59 Ca 0.14 -1.68 -0.43 0.00 -2.01 0.00 0.00 57.72 53.74 1wff n HIS 59 Cb 0.20 -0.33 0.01 0.00 0.12 0.00 0.00 29.99 29.99 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 -1.04 -0.71 3.30 -1.39 0.00 -0.57 -4.79 105.19 99.99 1wff n GLY 60 Ca 0.27 0.29 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 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 1.35 3.06 -4.16 0.00 3.02 -1.26 -4.99 115.26 112.28 1wff n ASN 62 Ca 0.07 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.18 1wff n ASN 62 Cb 0.50 -0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.81 -3.74 -3.17 3.10 9.36 -1.26 -4.86 117.16 113.78 1wff n TYR 63 Ca -0.20 0.27 -0.44 0.00 3.32 0.00 0.00 57.90 60.84 1wff n TYR 63 Cb 0.73 -1.60 -0.06 0.00 -0.63 0.00 0.00 39.34 37.78 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 -1.01 6.20 -0.36 2.98 2.15 -1.26 -4.90 116.67 120.47 1wff s ASP 64 Ca 0.51 -1.15 0.05 0.00 0.43 0.00 0.00 52.55 52.39 1wff s ASP 64 Cb -0.38 -2.28 0.46 0.00 -0.30 0.00 0.00 42.92 40.42 1wff s ASP 64 CO 0.72 -0.93 1.35 0.00 -0.17 0.00 0.00 175.17 176.14 1wff n TYR 65 N 6.08 2.78 0.00 -5.34 0.18 -1.26 -4.73 117.16 114.87 1wff n TYR 65 Ca -0.08 -2.35 -0.17 0.00 1.88 0.00 0.00 57.90 57.17 1wff n TYR 65 Cb 0.44 -0.55 -0.12 0.00 -0.38 0.00 0.00 39.34 38.74 1wff n TYR 65 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1wff h LYS 66 N 2.11 0.33 -1.96 -3.48 1.57 -1.92 -3.31 116.57 109.91 1wff h LYS 66 Ca 0.41 -0.38 -0.35 0.00 -1.87 0.00 0.00 60.65 58.46 1wff h LYS 66 Cb 1.40 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.70 1wff h LYS 66 CO 0.90 1.08 0.09 0.45 -0.57 0.00 0.00 179.45 181.40 1wff n SER 67 N -4.28 5.97 -3.40 0.86 2.88 -1.26 -4.72 113.62 109.67 1wff n SER 67 Ca -0.11 -2.89 0.02 0.00 -1.33 0.00 0.00 58.87 54.56 1wff n SER 67 Cb 0.65 -1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 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 -0.66 -2.62 0.49 -1.46 0.00 -1.25 -5.14 121.76 111.13 1wff s ALA 68 Ca 0.56 2.02 0.00 0.00 0.00 0.00 0.00 51.96 54.54 1wff s ALA 68 Cb 0.33 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1wff s ALA 68 CO -0.11 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1wff n GLY 69 N 5.17 -4.29 3.34 0.00 0.00 -1.26 -4.83 105.19 103.33 1wff n GLY 69 Ca -0.09 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 1wff n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wff s ARG 70 N -4.40 2.90 -0.27 1.61 1.81 -1.26 -4.95 118.95 114.39 1wff s ARG 70 Ca 0.00 -1.47 -0.00 0.00 -1.72 0.00 0.00 55.73 52.54 1wff s ARG 70 Cb 0.00 -4.10 0.15 0.00 -0.45 0.00 0.00 34.95 30.55 1wff s ARG 70 CO 0.00 -1.09 0.43 0.50 -0.68 0.00 0.00 175.30 174.46 1wff s ARG 71 N 1.58 0.41 -0.08 3.54 6.06 -1.26 -5.14 118.95 124.06 1wff s ARG 71 Ca 0.04 0.42 -0.04 0.00 -2.50 0.00 0.00 55.73 53.64 1wff s ARG 71 Cb -0.25 -0.26 0.04 0.00 0.06 0.00 0.00 34.95 34.54 1wff s ARG 71 CO 0.05 -0.82 0.19 -0.47 -2.50 0.00 0.00 175.30 171.74 1wff s TYR 72 N 2.59 -0.23 -0.10 5.12 5.04 -1.26 -5.14 117.35 123.37 1wff s TYR 72 Ca 0.12 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.36 1wff s TYR 72 Cb -0.14 -0.00 -0.01 0.00 0.35 0.00 0.00 41.96 42.16 1wff s TYR 72 CO -0.23 -0.17 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.13 1wff s LEU 73 N 0.94 2.53 -0.36 6.97 1.43 -1.26 -5.03 118.68 123.92 1wff s LEU 73 Ca -0.07 -0.36 0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1wff s LEU 73 Cb -0.09 -1.54 0.45 0.00 0.03 0.00 0.00 46.19 45.05 1wff s LEU 73 CO -0.05 0.21 1.06 -1.84 0.23 0.00 0.00 176.35 175.95 1wff n GLU 74 N 3.22 2.40 -3.78 1.70 0.28 -1.26 -4.98 120.64 118.22 1wff n GLU 74 Ca -0.18 -3.88 -0.24 0.00 -0.16 0.00 0.00 57.16 52.70 1wff n GLU 74 Cb 0.53 -1.80 -0.03 0.00 1.43 0.00 0.00 31.44 31.57 1wff n GLU 74 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1wff n GLU 75 N -0.36 -0.76 -3.96 3.44 0.28 -1.26 -4.90 120.64 113.12 1wff n GLU 75 Ca 0.25 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 57.06 1wff n GLU 75 Cb 0.77 -1.71 -0.14 0.00 1.43 0.00 0.00 31.44 31.79 1wff n GLU 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wff s ALA 76 N -3.97 0.15 -0.29 -1.84 0.00 -1.26 -5.15 121.76 109.40 1wff s ALA 76 Ca 0.14 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 1wff s ALA 76 Cb -0.08 -0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.16 1wff s ALA 76 CO 0.61 0.03 1.17 0.54 0.00 0.00 0.00 175.76 178.11 1wff s ASN 77 N -0.00 -0.28 -0.62 0.00 4.22 -1.26 -5.11 114.94 111.89 1wff s ASN 77 Ca 0.00 0.49 -0.26 0.00 -2.14 0.00 0.00 52.86 50.95 1wff s ASN 77 Cb -0.01 0.80 -0.02 0.00 1.28 0.00 0.00 41.25 43.30 1wff s ASN 77 CO -0.00 -0.08 1.87 -2.16 -2.04 0.00 0.00 177.10 174.69 1wff s PRO 78 N 0.66 2.62 -0.16 3.55 0.04 -1.26 -4.94 135.00 135.50 1wff s PRO 78 Ca -0.02 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 1wff s PRO 78 Cb -0.04 -4.40 0.05 0.00 0.04 0.00 0.00 34.50 30.14 1wff s PRO 78 CO -0.12 -2.75 0.01 0.54 0.04 0.00 0.00 177.00 174.72 1wff s VAL 79 N 9.14 0.62 -0.52 -0.36 0.11 -1.26 -5.10 120.40 123.03 1wff s VAL 79 Ca 0.67 -0.41 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 1wff s VAL 79 Cb -0.13 -0.97 0.09 0.00 -1.53 0.00 0.00 36.38 33.84 1wff s VAL 79 CO 0.20 -0.02 0.54 -0.94 -3.33 0.00 0.00 175.10 171.55 1wff s SER 80 N 1.83 6.18 -0.73 3.54 1.04 -1.26 -4.98 113.70 119.32 1wff s SER 80 Ca 0.01 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.11 1wff s SER 80 Cb -0.16 -2.24 0.21 0.00 0.10 0.00 0.00 66.02 63.94 1wff s SER 80 CO -0.07 -0.85 0.68 0.61 0.98 0.00 0.00 173.24 174.59 1wff n GLY 81 N 5.22 4.39 3.56 7.32 0.00 -1.26 -5.03 105.19 119.39 1wff n GLY 81 Ca -0.11 -2.67 -0.29 0.00 0.00 0.00 0.00 46.02 42.96 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 -1.90 2.57 -0.06 1.61 0.04 -1.26 -4.96 135.00 131.04 1wff s PRO 82 Ca 0.31 -0.15 -0.20 0.00 0.04 0.00 0.00 61.00 61.00 1wff s PRO 82 Cb 0.03 -4.96 -0.05 0.00 0.04 0.00 0.00 34.50 29.57 1wff s PRO 82 CO -0.09 -3.28 0.56 -1.54 0.04 0.00 0.00 177.00 172.69 1wff s SER 83 N 8.04 6.85 -0.30 6.66 1.04 -1.26 -5.04 113.70 129.70 1wff s SER 83 Ca 0.70 1.02 -0.02 0.00 0.48 0.00 0.00 55.95 58.13 1wff s SER 83 Cb -0.08 -2.34 0.19 0.00 0.10 0.00 0.00 66.02 63.90 1wff s SER 83 CO 0.03 0.02 0.66 -0.55 0.98 0.00 0.00 173.24 174.38 1wff s SER 84 N 0.31 -1.29 0.00 7.02 0.15 -1.26 -5.34 113.70 113.28 1wff s SER 84 Ca 0.30 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1wff s SER 84 Cb -0.17 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1wff s SER 84 CO 0.14 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.95