#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 -0.10 -0.02 1.61 0.15 -1.26 -5.19 113.70 108.89 1wff s SER 2 Ca 0.00 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 1wff s SER 2 Cb 0.00 0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.61 1wff s SER 2 CO 0.00 -0.33 1.19 -0.94 1.20 0.00 0.00 173.24 174.36 1wff s SER 3 N -2.70 -0.11 -0.05 5.45 1.04 -1.26 -5.19 113.70 110.88 1wff s SER 3 Ca 0.12 -0.15 -0.31 0.00 0.48 0.00 0.00 55.95 56.09 1wff s SER 3 Cb 0.02 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.50 1wff s SER 3 CO -0.04 -0.42 1.35 -0.83 0.98 0.00 0.00 173.24 174.28 1wff s GLY 4 N -2.80 -0.36 -0.23 7.32 0.00 -1.26 -5.18 107.32 104.82 1wff s GLY 4 Ca 0.12 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 45.13 1wff s GLY 4 CO -0.03 2.13 1.16 -0.56 0.00 0.00 0.00 173.10 175.80 1wff s SER 5 N -3.28 -0.24 0.04 1.64 0.01 -1.26 -5.19 113.70 105.42 1wff s SER 5 Ca 0.20 0.30 -0.28 0.00 1.31 0.00 0.00 55.95 57.47 1wff s SER 5 Cb 0.04 0.24 0.10 0.00 0.21 0.00 0.00 66.02 66.61 1wff s SER 5 CO -0.04 -0.19 1.09 -0.94 0.41 0.00 0.00 173.24 173.57 1wff s SER 6 N -0.86 -0.15 -0.01 2.44 1.04 -1.26 -5.19 113.70 109.71 1wff s SER 6 Ca 0.03 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 55.96 1wff s SER 6 Cb -0.01 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.53 1wff s SER 6 CO -0.04 -0.59 1.27 -0.83 0.98 0.00 0.00 173.24 174.04 1wff s GLY 7 N -2.82 -0.14 0.08 7.32 0.00 -1.26 -5.19 107.32 105.32 1wff s GLY 7 Ca 0.12 0.08 -0.09 0.00 0.00 0.00 0.00 44.72 44.83 1wff s GLY 7 CO -0.02 4.91 0.18 -0.26 0.00 0.00 0.00 173.10 177.91 1wff s ILE 8 N -2.07 0.14 0.06 0.90 -4.36 -1.26 -5.18 121.20 109.44 1wff s ILE 8 Ca 0.27 -1.17 0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1wff s ILE 8 Cb -0.00 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 1wff s ILE 8 CO -0.01 -0.65 -0.09 -1.38 0.24 0.00 0.00 174.94 173.06 1wff s HIS 9 N -3.75 0.82 0.30 1.37 -3.43 -1.26 -5.16 115.29 104.17 1wff s HIS 9 Ca 0.04 -0.56 -0.09 0.00 -0.80 0.00 0.00 55.06 53.65 1wff s HIS 9 Cb 0.04 -0.48 0.00 0.00 -1.43 0.00 0.00 32.58 30.72 1wff s HIS 9 CO -0.10 -0.06 0.50 -1.01 -2.00 0.00 0.00 174.74 172.07 1wff s HIS 10 N -1.73 0.62 -0.26 0.38 3.76 -1.26 -5.17 115.29 111.63 1wff s HIS 10 Ca -0.05 -0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 53.80 1wff s HIS 10 Cb -0.07 0.14 0.10 0.00 1.11 0.00 0.00 32.58 33.86 1wff s HIS 10 CO 0.00 -1.11 0.57 -1.17 -0.85 0.00 0.00 174.74 172.19 1wff s LEU 11 N -3.11 -0.87 0.74 0.89 1.98 -1.26 -5.17 118.68 111.88 1wff s LEU 11 Ca 0.25 1.34 -0.12 0.00 -2.89 0.00 0.00 54.13 52.71 1wff s LEU 11 Cb -0.01 1.97 0.04 0.00 0.66 0.00 0.00 46.19 48.85 1wff s LEU 11 CO 0.14 -0.22 1.10 -2.16 -1.89 0.00 0.00 176.35 173.31 1wff s PRO 12 N 2.44 2.41 1.12 0.98 0.04 -1.26 -5.04 135.00 135.69 1wff s PRO 12 Ca -0.06 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.05 1wff s PRO 12 Cb -0.10 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 32.77 1wff s PRO 12 CO -0.17 -1.53 1.10 -1.25 0.04 0.00 0.00 177.00 175.19 1wff s PRO 13 N -4.66 -0.58 -0.27 0.56 0.04 -1.26 -5.02 135.00 123.81 1wff s PRO 13 Ca 0.63 0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1wff s PRO 13 Cb -0.18 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1wff s PRO 13 CO 0.52 -3.33 0.18 0.08 0.04 0.00 0.00 177.00 174.48 1wff s VAL 14 N -2.99 5.27 -0.23 -0.36 1.01 -1.26 -5.07 120.40 116.78 1wff s VAL 14 Ca 0.69 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1wff s VAL 14 Cb -0.14 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1wff s VAL 14 CO 0.57 0.27 -0.11 -0.54 0.00 0.00 0.00 175.10 175.29 1wff s LYS 15 N 1.64 2.86 0.15 2.72 -0.14 -1.26 -5.11 119.74 120.60 1wff s LYS 15 Ca 0.07 -0.95 0.05 0.00 -1.36 0.00 0.00 55.97 53.78 1wff s LYS 15 Cb -0.16 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.11 1wff s LYS 15 CO 0.10 -0.34 0.12 0.00 -0.76 0.00 0.00 175.35 174.46 1wff s ALA 16 N 1.30 3.54 -0.17 5.17 0.00 -1.26 -5.07 121.76 125.28 1wff s ALA 16 Ca 0.01 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 1wff s ALA 16 Cb -0.16 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1wff s ALA 16 CO -0.07 0.54 1.57 -1.25 0.00 0.00 0.00 175.76 176.55 1wff s PRO 17 N -2.99 3.97 0.26 0.00 0.04 -1.26 -5.01 135.00 130.02 1wff s PRO 17 Ca 0.30 1.81 0.11 0.00 0.04 0.00 0.00 61.00 63.26 1wff s PRO 17 Cb -0.10 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 1wff s PRO 17 CO 0.23 -1.08 -0.19 -1.17 0.04 0.00 0.00 177.00 174.84 1wff s LEU 18 N 4.61 2.58 -1.37 -3.56 0.20 -1.26 -4.73 118.68 115.15 1wff s LEU 18 Ca 0.69 -1.03 -0.17 0.00 0.69 0.00 0.00 54.13 54.31 1wff s LEU 18 Cb -0.27 -0.99 0.17 0.00 -0.43 0.00 0.00 46.19 44.68 1wff s LEU 18 CO 0.27 -0.01 0.43 0.00 -0.29 0.00 0.00 176.35 176.75 1wff n GLN 19 N -0.55 -0.93 0.31 1.98 10.64 -1.26 -4.79 117.38 122.78 1wff n GLN 19 Ca -0.06 0.10 -0.13 0.00 -1.83 0.00 0.00 57.00 55.09 1wff n GLN 19 Cb 0.60 -3.72 -0.06 0.00 -0.86 0.00 0.00 30.24 26.20 1wff n GLN 19 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1wff h THR 20 N -0.63 0.00 -2.47 -0.39 2.02 -2.00 -3.45 112.91 105.99 1wff h THR 20 Ca -0.43 -0.31 -0.33 0.00 0.77 0.00 0.00 66.41 66.11 1wff h THR 20 Cb 1.07 0.00 0.19 0.00 -1.74 0.00 0.00 68.15 67.67 1wff h THR 20 CO 0.65 0.00 -0.36 0.29 0.37 0.00 0.00 175.52 176.47 1wff n LYS 21 N -5.06 -3.04 -3.61 6.66 5.02 -1.26 -4.94 118.16 111.93 1wff n LYS 21 Ca -0.10 -0.89 -0.38 0.00 -2.02 0.00 0.00 58.31 54.92 1wff n LYS 21 Cb 0.32 -1.74 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 1wff n LYS 21 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wff s LYS 22 N -4.08 3.16 -0.18 1.97 2.20 -1.26 -5.05 119.74 116.50 1wff s LYS 22 Ca 0.53 -2.98 -0.29 0.00 -0.36 0.00 0.00 55.97 52.87 1wff s LYS 22 Cb -0.11 -3.98 -0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1wff s LYS 22 CO 0.51 -1.24 1.08 -1.59 -0.36 0.00 0.00 175.35 173.75 1wff s LYS 23 N -0.83 4.29 -0.28 4.03 -2.85 -1.26 -4.95 119.74 117.90 1wff s LYS 23 Ca 0.24 1.43 -0.39 0.00 -1.00 0.00 0.00 55.97 56.25 1wff s LYS 23 Cb -0.12 -3.63 -0.15 0.00 -2.06 0.00 0.00 37.83 31.87 1wff s LYS 23 CO -0.09 -0.57 1.81 -0.89 0.10 0.00 0.00 175.35 175.72 1wff n ILE 24 N 5.13 0.31 -3.75 3.79 5.41 -1.26 -4.92 119.36 124.07 1wff n ILE 24 Ca 0.12 -0.08 -0.29 0.00 1.00 0.00 0.00 62.75 63.50 1wff n ILE 24 Cb 0.46 -1.30 -0.13 0.00 -0.71 0.00 0.00 39.64 37.96 1wff n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wff s MET 25 N 3.94 1.59 -0.12 0.38 0.23 -1.26 -5.08 119.30 118.98 1wff s MET 25 Ca 1.00 -2.38 -0.10 0.00 -1.03 0.00 0.00 55.69 53.19 1wff s MET 25 Cb -1.03 -2.61 0.04 0.00 -1.53 0.00 0.00 34.83 29.69 1wff s MET 25 CO 0.63 -1.20 0.31 -1.59 -2.03 0.00 0.00 175.02 171.14 1wff s LYS 26 N -0.13 0.34 0.11 3.16 -2.85 -1.26 -5.17 119.74 113.94 1wff s LYS 26 Ca 0.21 0.49 -0.14 0.00 -1.00 0.00 0.00 55.97 55.52 1wff s LYS 26 Cb -0.18 0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.72 1wff s LYS 26 CO -0.05 -0.08 0.34 -3.38 0.10 0.00 0.00 175.35 172.28 1wff s HIS 27 N 0.50 -0.11 0.30 1.78 -3.43 -1.26 -3.48 115.29 109.59 1wff s HIS 27 Ca -0.03 -0.24 -0.13 0.00 -0.80 0.00 0.00 55.06 53.86 1wff s HIS 27 Cb -0.04 0.17 -0.10 0.00 -1.43 0.00 0.00 32.58 31.18 1wff s HIS 27 CO -0.03 -0.66 -0.01 0.00 -2.00 0.00 0.00 174.74 172.05 1wff n PHE 29 N -0.83 0.61 0.00 0.00 7.35 0.03 -3.14 117.46 121.47 1wff n PHE 29 Ca 0.06 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1wff n PHE 29 Cb 0.29 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.18 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 -2.71 0.06 -0.09 -2.13 7.94 -1.26 -4.66 117.00 114.14 1wff n LEU 30 Ca -0.12 0.64 -0.23 0.00 -1.11 0.00 0.00 56.01 55.20 1wff n LEU 30 Cb 0.81 -0.49 -0.12 0.00 0.53 0.00 0.00 43.42 44.16 1wff n LEU 30 CO 0.43 -0.49 -0.72 0.00 -1.11 0.00 0.00 177.39 175.51 1wff n GLY 32 N 1.53 1.87 3.76 0.00 0.00 -1.19 -5.02 105.19 106.14 1wff n GLY 32 Ca -0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.05 4.44 0.35 1.61 2.20 -1.26 -4.49 119.74 122.55 1wff s LYS 33 Ca 0.00 1.92 -0.26 0.00 -0.36 0.00 0.00 55.97 57.26 1wff s LYS 33 Cb 0.00 -3.05 -0.12 0.00 -1.51 0.00 0.00 37.83 33.15 1wff s LYS 33 CO 0.00 -0.00 1.03 0.36 -0.36 0.00 0.00 175.35 176.37 1wff n LYS 34 N 0.84 1.42 -3.46 4.03 -0.00 -1.26 -0.70 118.16 119.03 1wff n LYS 34 Ca 0.00 0.50 -0.10 0.00 -0.00 0.00 0.00 58.31 58.72 1wff n LYS 34 Cb 0.44 -1.97 -0.09 0.00 -0.00 0.00 0.00 35.03 33.41 1wff n LYS 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wff s THR 35 N -1.16 -0.57 0.00 0.58 -4.23 -1.23 -4.75 115.64 104.27 1wff s THR 35 Ca 0.60 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1wff s THR 35 Cb -0.62 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1wff s THR 35 CO 0.59 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1wff n GLY 36 N 5.37 -1.27 3.58 3.99 0.00 -1.26 -4.45 105.19 111.14 1wff n GLY 36 Ca -0.05 0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1wff n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wff s LEU 37 N -2.75 3.41 -1.56 0.99 0.20 -1.26 -3.48 118.68 114.23 1wff s LEU 37 Ca 0.00 1.07 -0.15 0.00 0.69 0.00 0.00 54.13 55.74 1wff s LEU 37 Cb 0.00 -3.02 0.15 0.00 -0.43 0.00 0.00 46.19 42.88 1wff s LEU 37 CO 0.00 -2.18 0.37 0.00 -0.29 0.00 0.00 176.35 174.25 1wff n ALA 38 N 12.37 -1.30 0.00 5.97 0.00 -1.26 -4.70 120.51 131.58 1wff n ALA 38 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wff n ALA 38 Cb 0.50 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1wff n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wff n THR 39 N -3.77 0.00 -1.90 0.00 -1.04 -1.23 -5.05 114.28 101.30 1wff n THR 39 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1wff n THR 39 Cb 0.46 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 1wff n THR 39 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1wff s SER 40 N -4.99 6.55 0.31 8.00 0.15 -1.26 -4.11 113.70 118.36 1wff s SER 40 Ca 0.00 2.65 0.09 0.00 0.70 0.00 0.00 55.95 59.39 1wff s SER 40 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1wff s SER 40 CO 0.00 -0.85 0.07 -0.36 1.20 0.00 0.00 173.24 173.30 1wff s PHE 41 N 1.23 2.69 -0.15 3.44 0.08 -1.18 -4.95 117.98 119.14 1wff s PHE 41 Ca 0.71 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.44 1wff s PHE 41 Cb -0.44 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1wff s PHE 41 CO 0.31 0.46 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.71 1wff s GLU 42 N -3.77 3.11 0.32 0.44 -6.30 -1.26 -3.75 118.70 107.49 1wff s GLU 42 Ca 0.35 -0.80 0.06 0.00 -2.50 0.00 0.00 54.97 52.08 1wff s GLU 42 Cb -0.03 -2.54 -0.01 0.00 0.00 0.00 0.00 34.13 31.54 1wff s GLU 42 CO 0.21 -0.02 0.43 0.00 0.02 0.00 0.00 175.26 175.90 1wff h ARG 44 N 0.98 0.13 -0.32 0.00 -0.00 -1.97 -2.33 114.38 110.86 1wff h ARG 44 Ca -0.46 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.98 58.85 1wff h ARG 44 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 29.97 31.19 1wff h ARG 44 CO 0.54 0.16 -0.37 0.00 0.00 0.00 0.00 179.97 180.30 1wff n GLY 46 N 0.20 1.98 3.29 0.00 0.00 -0.88 -5.00 105.19 104.79 1wff n GLY 46 Ca -0.03 0.00 -0.32 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 3.52 -0.37 1.61 0.01 -1.26 -4.94 114.94 111.51 1wff s ASN 47 Ca 0.00 -0.45 -0.26 0.00 -0.71 0.00 0.00 52.86 51.44 1wff s ASN 47 Cb 0.00 -1.46 0.01 0.00 0.41 0.00 0.00 41.25 40.21 1wff s ASN 47 CO 0.00 0.17 0.93 0.54 -1.51 0.00 0.00 177.10 177.23 1wff s ASN 48 N 0.30 6.69 0.47 -1.22 4.22 -1.26 -3.75 114.94 120.38 1wff s ASN 48 Ca -0.14 0.60 0.05 0.00 -2.14 0.00 0.00 52.86 51.23 1wff s ASN 48 Cb -0.17 -2.46 -0.02 0.00 1.28 0.00 0.00 41.25 39.87 1wff s ASN 48 CO 0.07 -0.85 0.16 -0.36 -2.04 0.00 0.00 177.10 174.08 1wff s PHE 49 N 3.47 2.16 0.70 1.54 0.08 -1.25 -0.79 117.98 123.89 1wff s PHE 49 Ca 0.38 -0.76 -0.07 0.00 0.12 0.00 0.00 56.93 56.59 1wff s PHE 49 Cb -0.12 -1.83 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1wff s PHE 49 CO 0.18 0.08 1.03 0.00 -0.10 0.00 0.00 175.22 176.41 1wff h ALA 51 N -0.61 2.34 0.02 0.00 0.00 -1.93 1.97 119.26 121.04 1wff h ALA 51 Ca -0.45 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 1wff h ALA 51 Cb 1.31 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1wff h ALA 51 CO 0.61 -0.44 -1.12 1.03 0.00 0.00 0.00 179.25 179.34 1wff h SER 52 N 0.01 0.06 -0.22 0.00 0.87 -1.95 -3.30 113.55 109.02 1wff h SER 52 Ca 0.17 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1wff h SER 52 Cb 0.68 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1wff h SER 52 CO -0.00 1.06 -0.03 1.41 -0.53 0.00 0.00 176.83 178.74 1wff n HIS 53 N -3.34 0.76 0.19 2.24 -0.00 -0.12 -4.62 115.22 110.33 1wff n HIS 53 Ca -0.03 -1.07 0.04 0.00 -0.00 0.00 0.00 57.72 56.66 1wff n HIS 53 Cb 0.96 -0.32 0.39 0.00 -0.00 0.00 0.00 29.99 31.02 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 1.25 0.00 -7.33 -0.41 0.11 0.30 -3.40 114.38 104.90 1wff h ARG 54 Ca 0.05 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.61 1wff h ARG 54 Cb 1.39 0.00 0.12 0.00 1.11 0.00 0.00 29.97 32.59 1wff h ARG 54 CO 0.21 0.36 0.34 0.71 0.10 0.00 0.00 179.97 181.69 1wff s TYR 55 N -4.04 2.81 0.00 4.08 1.51 -1.26 -4.85 117.35 115.61 1wff s TYR 55 Ca -0.02 1.48 -0.11 0.00 -1.01 0.00 0.00 57.07 57.40 1wff s TYR 55 Cb 0.13 -2.98 -0.06 0.00 -0.11 0.00 0.00 41.96 38.94 1wff s TYR 55 CO 0.70 -1.57 0.85 0.00 -1.11 0.00 0.00 175.55 174.43 1wff h ALA 56 N -0.96 -0.80 -0.96 3.71 0.00 -1.97 -3.17 119.26 115.11 1wff h ALA 56 Ca -0.44 -0.09 0.27 0.00 0.00 0.00 0.00 54.91 54.66 1wff h ALA 56 Cb 1.22 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 1wff h ALA 56 CO 0.54 -0.77 0.48 1.05 0.00 0.00 0.00 179.25 180.55 1wff h GLU 57 N -0.52 0.36 -0.71 0.00 4.11 -1.93 0.20 114.58 116.08 1wff h GLU 57 Ca -0.04 -0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.52 1wff h GLU 57 Cb 0.30 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 1wff h GLU 57 CO 0.07 0.24 0.05 0.00 0.07 0.00 0.00 179.01 179.43 1wff h ALA 58 N 1.79 0.78 -0.52 1.06 0.00 -1.88 0.51 119.26 120.99 1wff h ALA 58 Ca 0.65 0.21 -0.20 0.00 0.00 0.00 0.00 54.91 55.57 1wff h ALA 58 Cb 1.37 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 19.38 1wff h ALA 58 CO -0.57 -0.40 0.13 -2.39 0.00 0.00 0.00 179.25 176.02 1wff n HIS 59 N -5.28 1.67 -4.17 0.00 1.44 0.47 -4.96 115.22 104.39 1wff n HIS 59 Ca 0.12 -1.38 -0.37 0.00 -2.01 0.00 0.00 57.72 54.09 1wff n HIS 59 Cb 0.44 -0.57 -0.04 0.00 0.12 0.00 0.00 29.99 29.94 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 -0.77 -0.43 2.76 -1.39 0.00 0.17 -4.70 105.19 100.83 1wff n GLY 60 Ca 0.36 0.25 -0.42 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 1.43 0.98 -4.63 0.00 6.94 -1.26 -4.95 115.26 113.77 1wff n ASN 62 Ca 0.15 0.14 -0.66 0.00 -0.02 0.00 0.00 54.58 54.19 1wff n ASN 62 Cb 0.14 0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.58 1wff n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wff n TYR 63 N -3.05 1.68 -1.55 -2.53 9.36 -1.26 -4.65 117.16 115.15 1wff n TYR 63 Ca -0.30 1.12 -0.13 0.00 3.32 0.00 0.00 57.90 61.90 1wff n TYR 63 Cb 1.08 -2.17 -0.09 0.00 -0.63 0.00 0.00 39.34 37.52 1wff n TYR 63 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1wff n ASP 64 N 3.82 1.46 -4.56 2.98 2.03 -1.26 -4.84 116.55 116.18 1wff n ASP 64 Ca 0.30 -1.81 -0.37 0.00 0.52 0.00 0.00 54.79 53.42 1wff n ASP 64 Cb -0.05 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 38.68 1wff n ASP 64 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1wff s TYR 65 N 15.05 1.11 -0.37 -0.67 2.02 -1.26 -4.92 117.35 128.30 1wff s TYR 65 Ca 0.89 1.37 -0.16 0.00 -0.37 0.00 0.00 57.07 58.79 1wff s TYR 65 Cb -0.12 -3.66 0.00 0.00 -0.40 0.00 0.00 41.96 37.78 1wff s TYR 65 CO 0.13 -2.80 0.39 0.21 -1.57 0.00 0.00 175.55 171.91 1wff s LYS 66 N 7.89 3.39 -1.29 -0.62 2.36 -1.26 -4.44 119.74 125.76 1wff s LYS 66 Ca 0.97 -0.55 -0.05 0.00 -2.55 0.00 0.00 55.97 53.79 1wff s LYS 66 Cb -0.20 -3.86 -0.01 0.00 -1.05 0.00 0.00 37.83 32.71 1wff s LYS 66 CO 0.27 -0.64 0.64 0.43 1.55 0.00 0.00 175.35 177.61 1wff n SER 67 N 5.45 -2.04 -0.06 1.43 7.64 -1.26 -4.92 113.62 119.86 1wff n SER 67 Ca -0.09 -0.92 -0.13 0.00 1.01 0.00 0.00 58.87 58.75 1wff n SER 67 Cb 0.49 -3.65 -0.12 0.00 -1.01 0.00 0.00 64.21 59.92 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 0.81 -0.01 -6.50 -0.43 0.00 -1.98 -3.48 119.26 107.67 1wff h ALA 68 Ca -0.63 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 53.34 1wff h ALA 68 Cb 1.36 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1wff h ALA 68 CO 0.56 -0.03 -0.84 0.41 0.00 0.00 0.00 179.25 179.34 1wff n GLY 69 N 1.48 -0.34 0.05 0.00 0.00 -1.26 -4.91 105.19 100.21 1wff n GLY 69 Ca -0.09 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1wff n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wff h ARG 70 N -1.78 0.00 -1.71 1.61 3.08 -2.02 -3.49 114.38 110.06 1wff h ARG 70 Ca -0.61 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.50 1wff h ARG 70 Cb 1.38 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.18 1wff h ARG 70 CO 0.67 0.00 0.29 0.50 -1.07 0.00 0.00 179.97 180.37 1wff s ARG 71 N -1.58 0.54 0.52 0.04 3.52 -1.26 -5.15 118.95 115.58 1wff s ARG 71 Ca -0.02 0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 56.24 1wff s ARG 71 Cb 0.00 0.18 -0.12 0.00 -1.56 0.00 0.00 34.95 33.45 1wff s ARG 71 CO 0.04 -0.09 -0.24 2.48 -0.81 0.00 0.00 175.30 176.67 1wff n TYR 72 N 3.28 -2.86 -3.61 5.12 0.18 -1.26 -4.99 117.16 113.02 1wff n TYR 72 Ca -0.17 0.27 -0.11 0.00 1.88 0.00 0.00 57.90 59.78 1wff n TYR 72 Cb 0.57 -1.33 -0.04 0.00 -0.38 0.00 0.00 39.34 38.17 1wff n TYR 72 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 1wff s LEU 73 N 4.73 0.01 0.03 -3.48 2.34 -1.26 -5.16 118.68 115.89 1wff s LEU 73 Ca 0.43 -0.28 0.00 0.00 0.06 0.00 0.00 54.13 54.34 1wff s LEU 73 Cb -0.34 2.17 -0.03 0.00 -0.56 0.00 0.00 46.19 47.43 1wff s LEU 73 CO 0.58 -0.96 -0.04 -0.70 -1.06 0.00 0.00 176.35 174.17 1wff s GLU 74 N -3.81 0.43 -0.11 1.48 2.12 -1.26 -5.16 118.70 112.40 1wff s GLU 74 Ca 0.04 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.55 1wff s GLU 74 Cb 0.00 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1wff s GLU 74 CO -0.09 -0.05 -0.02 -1.83 -0.54 0.00 0.00 175.26 172.73 1wff s GLU 75 N -2.14 3.18 0.03 4.30 -1.05 -1.26 -5.08 118.70 116.68 1wff s GLU 75 Ca -0.09 -0.46 -0.17 0.00 -0.15 0.00 0.00 54.97 54.10 1wff s GLU 75 Cb -0.05 -2.81 0.06 0.00 -0.44 0.00 0.00 34.13 30.88 1wff s GLU 75 CO -0.03 0.55 0.79 0.00 0.95 0.00 0.00 175.26 177.51 1wff n ALA 76 N 2.61 -2.17 -3.05 -0.84 0.00 -1.26 -5.04 120.51 110.76 1wff n ALA 76 Ca -0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 1wff n ALA 76 Cb 0.53 0.19 0.07 0.00 0.00 0.00 0.00 19.45 20.23 1wff n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wff n ASN 77 N -0.85 -3.31 -3.31 0.00 2.85 -1.26 -5.02 115.26 104.37 1wff n ASN 77 Ca 0.02 -0.52 -0.23 0.00 -0.11 0.00 0.00 54.58 53.74 1wff n ASN 77 Cb 0.38 -4.19 0.19 0.00 1.24 0.00 0.00 39.78 37.40 1wff n ASN 77 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1wff n PRO 78 N -3.27 -2.66 -4.75 1.20 -0.04 -1.26 -5.08 135.00 119.15 1wff n PRO 78 Ca -0.17 -1.34 -0.24 0.00 -0.04 0.00 0.00 63.50 61.71 1wff n PRO 78 Cb 0.62 -1.25 -0.15 0.00 -0.04 0.00 0.00 33.50 32.68 1wff n PRO 78 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wff s VAL 79 N -2.51 1.41 0.50 0.52 1.01 -1.26 -5.15 120.40 114.92 1wff s VAL 79 Ca 0.54 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1wff s VAL 79 Cb -0.05 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1wff s VAL 79 CO 0.42 0.31 0.35 -0.55 0.00 0.00 0.00 175.10 175.63 1wff s SER 80 N -0.64 4.64 -0.08 3.32 0.15 -1.26 -5.14 113.70 114.69 1wff s SER 80 Ca 0.06 -1.16 0.01 0.00 0.70 0.00 0.00 55.95 55.56 1wff s SER 80 Cb -0.07 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1wff s SER 80 CO 0.00 -0.93 -0.10 -0.83 1.20 0.00 0.00 173.24 172.58 1wff s GLY 81 N -4.18 0.76 0.22 9.45 0.00 -1.26 -5.14 107.32 107.16 1wff s GLY 81 Ca 0.36 -0.41 -0.04 0.00 0.00 0.00 0.00 44.72 44.64 1wff s GLY 81 CO 0.22 0.40 0.19 -1.55 0.00 0.00 0.00 173.10 172.36 1wff n PRO 82 N 4.24 -1.40 -3.84 2.90 -0.04 -1.26 -5.10 135.00 130.49 1wff n PRO 82 Ca -0.19 -0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 62.94 1wff n PRO 82 Cb 0.51 -0.29 0.01 0.00 -0.04 0.00 0.00 33.50 33.69 1wff n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wff s SER 83 N -2.03 -0.04 0.56 3.54 0.15 -1.26 -5.18 113.70 109.44 1wff s SER 83 Ca 0.12 -0.51 0.10 0.00 0.70 0.00 0.00 55.95 56.36 1wff s SER 83 Cb -0.01 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.80 1wff s SER 83 CO 0.10 -0.83 0.78 -0.44 1.20 0.00 0.00 173.24 174.05 1wff s SER 84 N -3.31 5.14 0.00 5.45 0.01 -1.26 -5.38 113.70 114.36 1wff s SER 84 Ca 0.20 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1wff s SER 84 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wff s SER 84 CO 0.03 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 172.99