#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tgz n TYR 21 N 0.00 0.31 -4.11 -1.84 4.02 0.03 -4.85 117.16 110.72 1tgz n TYR 21 Ca 0.00 0.13 -0.24 0.00 -0.01 0.00 0.00 57.90 57.78 1tgz n TYR 21 Cb 0.00 -1.03 -0.05 0.00 -0.02 0.00 0.00 39.34 38.24 1tgz n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1tgz s ILE 22 N -2.47 4.41 -0.21 -0.72 1.01 -0.11 -4.92 121.20 118.19 1tgz s ILE 22 Ca -0.36 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.01 1tgz s ILE 22 Cb 0.12 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.29 1tgz s ILE 22 CO 0.53 -0.25 -0.14 -0.75 0.00 0.00 0.00 174.94 174.33 1tgz s LYS 23 N -3.51 2.86 0.25 2.79 2.47 -1.26 0.86 119.74 124.20 1tgz s LYS 23 Ca 0.32 -0.93 0.09 0.00 -1.56 0.00 0.00 55.97 53.88 1tgz s LYS 23 Cb -0.09 -2.76 -0.04 0.00 -1.46 0.00 0.00 37.83 33.48 1tgz s LYS 23 CO 0.24 -0.31 0.01 -0.51 0.16 0.00 0.00 175.35 174.94 1tgz s LEU 24 N 1.28 3.26 -0.34 5.43 1.43 0.19 -0.82 118.68 129.10 1tgz s LEU 24 Ca 0.02 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1tgz s LEU 24 Cb -0.15 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1tgz s LEU 24 CO -0.09 0.01 0.06 -0.54 0.23 0.00 0.00 176.35 176.03 1tgz s LYS 25 N -3.57 1.99 -0.89 1.70 1.02 -0.26 -0.73 119.74 119.01 1tgz s LYS 25 Ca 0.31 -1.63 -0.20 0.00 0.02 0.00 0.00 55.97 54.47 1tgz s LYS 25 Cb -0.07 -3.28 0.11 0.00 -0.52 0.00 0.00 37.83 34.07 1tgz s LYS 25 CO 0.20 -0.85 1.12 0.08 -0.92 0.00 0.00 175.35 174.98 1tgz s VAL 26 N 1.09 4.58 0.28 3.17 1.01 0.13 -1.27 120.40 129.39 1tgz s VAL 26 Ca 0.03 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1tgz s VAL 26 Cb -0.21 -4.79 -0.08 0.00 0.00 0.00 0.00 36.38 31.31 1tgz s VAL 26 CO -0.05 -1.54 0.64 -0.63 0.00 0.00 0.00 175.10 173.52 1tgz s ILE 27 N 3.16 4.83 0.41 2.22 1.01 -0.76 -2.91 121.20 129.15 1tgz s ILE 27 Ca 0.32 0.64 0.07 0.00 0.00 0.00 0.00 60.65 61.68 1tgz s ILE 27 Cb -0.07 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 1tgz s ILE 27 CO -0.06 -0.16 0.03 -0.83 0.00 0.00 0.00 174.94 173.92 1tgz s GLY 28 N -2.43 2.49 0.48 6.18 0.00 -0.71 -0.98 107.32 112.34 1tgz s GLY 28 Ca 0.50 -2.28 0.24 0.00 0.00 0.00 0.00 44.72 43.18 1tgz s GLY 28 CO 0.21 -2.08 1.88 1.46 0.00 0.00 0.00 173.10 174.57 1tgz h GLN 29 N 1.72 0.19 -0.65 2.90 4.20 -1.89 0.75 115.11 122.34 1tgz h GLN 29 Ca -0.44 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1tgz h GLN 29 Cb 1.24 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1tgz h GLN 29 CO 0.80 0.13 0.00 -0.40 -0.67 0.00 0.00 178.83 178.68 1tgz n ASP 30 N -4.40 3.75 0.00 1.46 3.85 -1.26 -4.89 116.55 115.06 1tgz n ASP 30 Ca 0.19 -2.43 0.00 0.00 -0.71 0.00 0.00 54.79 51.84 1tgz n ASP 30 Cb 0.82 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 1tgz n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1tgz n SER 31 N 0.60 0.00 -4.58 -1.12 7.64 0.26 -4.97 113.62 111.45 1tgz n SER 31 Ca 0.18 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 1tgz n SER 31 Cb 0.75 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 1tgz n SER 31 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1tgz s SER 32 N -3.33 5.19 0.44 6.43 1.04 -1.25 -4.65 113.70 117.57 1tgz s SER 32 Ca 0.00 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 1tgz s SER 32 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1tgz s SER 32 CO 0.00 -2.23 0.70 -1.61 0.98 0.00 0.00 173.24 171.08 1tgz s GLU 33 N 6.87 3.47 -0.30 4.02 2.02 -1.26 -1.75 118.70 131.78 1tgz s GLU 33 Ca 0.95 -0.04 -0.11 0.00 0.02 0.00 0.00 54.97 55.80 1tgz s GLU 33 Cb -0.26 -2.48 0.15 0.00 0.10 0.00 0.00 34.13 31.64 1tgz s GLU 33 CO 0.31 -0.10 0.78 0.42 0.02 0.00 0.00 175.26 176.69 1tgz s ILE 34 N -2.59 -0.79 0.32 -1.63 1.01 -1.15 -4.97 121.20 111.40 1tgz s ILE 34 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 1tgz s ILE 34 Cb -0.10 -1.00 -0.09 0.00 0.01 0.00 0.00 42.46 41.28 1tgz s ILE 34 CO 0.41 0.00 0.78 -1.00 0.00 0.00 0.00 174.94 175.13 1tgz s HIS 35 N 2.75 3.42 -0.05 3.97 3.76 -1.26 -0.69 115.29 127.18 1tgz s HIS 35 Ca -0.01 1.33 -0.04 0.00 -0.15 0.00 0.00 55.06 56.19 1tgz s HIS 35 Cb -0.10 -2.62 0.02 0.00 1.11 0.00 0.00 32.58 30.99 1tgz s HIS 35 CO -0.18 0.10 0.12 -0.06 -0.85 0.00 0.00 174.74 173.87 1tgz s PHE 36 N -1.93 -0.13 -0.27 1.40 0.40 0.09 -4.95 117.98 112.59 1tgz s PHE 36 Ca 0.54 0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1tgz s PHE 36 Cb -0.11 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.41 1tgz s PHE 36 CO 0.17 -0.08 0.08 0.15 0.70 0.00 0.00 175.22 176.24 1tgz s LYS 37 N 0.31 3.47 0.13 0.44 3.01 -1.26 0.52 119.74 126.37 1tgz s LYS 37 Ca -0.02 -0.61 0.05 0.00 -1.01 0.00 0.00 55.97 54.38 1tgz s LYS 37 Cb -0.03 -3.36 -0.04 0.00 -1.01 0.00 0.00 37.83 33.38 1tgz s LYS 37 CO -0.01 -0.28 -0.12 0.14 0.51 0.00 0.00 175.35 175.59 1tgz s VAL 38 N 1.58 1.22 -0.39 3.17 -7.23 0.25 -4.93 120.40 114.08 1tgz s VAL 38 Ca 0.05 -1.88 -0.25 0.00 -1.81 0.00 0.00 61.98 58.10 1tgz s VAL 38 Cb -0.16 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1tgz s VAL 38 CO 0.04 -0.59 0.88 -1.59 -0.31 0.00 0.00 175.10 173.53 1tgz s LYS 39 N -3.20 3.75 0.58 4.82 -2.85 -1.26 -0.79 119.74 120.79 1tgz s LYS 39 Ca 0.12 0.41 0.29 0.00 -1.00 0.00 0.00 55.97 55.79 1tgz s LYS 39 Cb -0.01 -3.83 1.48 0.00 -2.06 0.00 0.00 37.83 33.41 1tgz s LYS 39 CO 0.02 -0.98 1.92 1.98 0.10 0.00 0.00 175.35 178.39 1tgz h MET 40 N 8.60 0.00 0.00 1.78 4.05 -1.95 0.50 114.93 127.92 1tgz h MET 40 Ca -0.24 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1tgz h MET 40 Cb 1.08 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1tgz h MET 40 CO 0.97 0.00 -0.13 1.15 0.23 0.00 0.00 176.91 179.13 1tgz h THR 41 N 0.00 0.47 -2.59 -0.77 2.02 -2.00 -3.31 112.91 106.73 1tgz h THR 41 Ca 0.23 -0.67 -0.55 0.00 0.77 0.00 0.00 66.41 66.19 1tgz h THR 41 Cb 1.16 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.98 1tgz h THR 41 CO -0.00 0.13 -0.51 -0.89 0.37 0.00 0.00 175.52 174.62 1tgz s THR 42 N -3.98 4.91 0.82 3.16 2.01 0.17 -5.04 115.64 117.69 1tgz s THR 42 Ca -0.02 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 1tgz s THR 42 Cb 0.12 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 69.14 1tgz s THR 42 CO 0.58 -0.12 0.89 1.41 -0.69 0.00 0.00 174.62 176.70 1tgz n HIS 43 N -0.53 0.27 1.01 4.92 8.25 -1.26 -4.34 115.22 123.54 1tgz n HIS 43 Ca -0.08 0.36 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 1tgz n HIS 43 Cb 0.55 -2.00 0.18 0.00 1.12 0.00 0.00 29.99 29.84 1tgz n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1tgz n LEU 44 N -2.24 0.65 -0.25 2.41 4.77 -0.43 -4.09 117.00 117.82 1tgz n LEU 44 Ca 0.11 -0.13 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1tgz n LEU 44 Cb 0.51 -0.19 0.18 0.00 -2.33 0.00 0.00 43.42 41.59 1tgz n LEU 44 CO 0.49 0.16 0.91 0.50 -1.33 0.00 0.00 177.39 178.12 1tgz h LYS 45 N 0.10 0.22 -0.38 3.23 3.64 -1.67 0.12 116.57 121.84 1tgz h LYS 45 Ca 0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1tgz h LYS 45 Cb 0.50 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1tgz h LYS 45 CO 0.00 0.15 0.05 -0.22 -2.27 0.00 0.00 179.45 177.15 1tgz h LYS 46 N 0.23 0.16 -0.52 1.90 1.63 -1.88 -0.02 116.57 118.07 1tgz h LYS 46 Ca 0.42 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.23 1tgz h LYS 46 Cb 0.73 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 1tgz h LYS 46 CO -0.54 0.10 0.35 1.25 -3.45 0.00 0.00 179.45 177.16 1tgz h LEU 47 N 0.16 0.53 0.03 5.20 6.46 -1.04 -2.24 115.31 124.42 1tgz h LEU 47 Ca 0.18 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1tgz h LEU 47 Cb 0.23 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1tgz h LEU 47 CO -0.27 0.37 -0.01 0.11 -0.62 0.00 0.00 178.44 178.02 1tgz h LYS 48 N 0.62 -0.04 -0.60 1.25 1.57 -0.26 -2.30 116.57 116.81 1tgz h LYS 48 Ca 0.21 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.11 1tgz h LYS 48 Cb 0.06 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 1tgz h LYS 48 CO -0.05 0.51 0.06 0.93 -0.57 0.00 0.00 179.45 180.33 1tgz h GLU 49 N -0.63 0.17 -0.46 3.15 5.08 -0.74 0.58 114.58 121.74 1tgz h GLU 49 Ca -0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1tgz h GLU 49 Cb 0.57 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1tgz h GLU 49 CO 0.01 0.11 0.09 0.66 -1.00 0.00 0.00 179.01 178.88 1tgz h SER 50 N 0.18 0.71 -0.87 1.42 4.64 -1.47 -2.01 113.55 116.14 1tgz h SER 50 Ca 0.32 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1tgz h SER 50 Cb 0.49 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1tgz h SER 50 CO -0.46 0.78 0.56 0.22 -0.87 0.00 0.00 176.83 177.05 1tgz h TYR 51 N 0.61 1.12 -0.41 4.77 3.20 -0.54 0.30 116.97 126.03 1tgz h TYR 51 Ca 0.14 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1tgz h TYR 51 Cb 0.36 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 1tgz h TYR 51 CO 0.02 0.72 0.10 0.00 -1.64 0.00 0.00 178.16 177.37 1tgz h GLN 53 N 0.24 0.27 0.00 0.00 3.07 -1.10 0.73 115.11 118.32 1tgz h GLN 53 Ca 0.20 -0.44 0.00 0.00 0.09 0.00 0.00 58.65 58.50 1tgz h GLN 53 Cb 0.23 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.95 1tgz h GLN 53 CO -0.24 1.20 0.10 -2.13 0.09 0.00 0.00 178.83 177.84 1tgz n ARG 54 N -4.19 0.00 0.00 0.06 0.00 0.10 0.82 116.66 113.45 1tgz n ARG 54 Ca -0.13 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1tgz n ARG 54 Cb 0.77 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.63 1tgz n ARG 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1tgz n GLN 55 N -1.14 1.97 -2.72 -0.14 1.13 -0.95 -5.04 117.38 110.48 1tgz n GLN 55 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 1tgz n GLN 55 Cb 0.10 -0.90 0.03 0.00 0.11 0.00 0.00 30.24 29.57 1tgz n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tgz n GLY 56 N 2.19 0.36 3.18 1.08 0.00 0.24 -5.05 105.19 107.20 1tgz n GLY 56 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1tgz n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tgz s VAL 57 N -3.11 1.77 0.33 1.61 1.01 0.18 -4.98 120.40 117.21 1tgz s VAL 57 Ca 0.13 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1tgz s VAL 57 Cb -0.06 -1.53 -0.12 0.00 0.00 0.00 0.00 36.38 34.67 1tgz s VAL 57 CO 0.24 0.50 1.27 -2.65 0.00 0.00 0.00 175.10 174.46 1tgz n PRO 58 N 3.32 2.05 -0.01 2.72 -0.02 -1.26 -4.55 135.00 137.25 1tgz n PRO 58 Ca -0.19 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 1tgz n PRO 58 Cb 0.52 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1tgz n PRO 58 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1tgz h MET 59 N 2.58 -0.01 0.00 -0.52 2.86 -1.96 -2.07 114.93 115.81 1tgz h MET 59 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1tgz h MET 59 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1tgz h MET 59 CO 0.63 -0.01 0.48 -2.95 1.06 0.00 0.00 176.91 176.12 1tgz h ASN 60 N -0.01 0.00 0.05 1.22 7.08 -2.04 0.26 115.58 122.13 1tgz h ASN 60 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1tgz h ASN 60 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 1tgz h ASN 60 CO -0.03 0.00 -0.01 -1.54 -2.08 0.00 0.00 177.43 173.76 1tgz n SER 61 N -2.41 0.55 -4.37 6.14 3.41 -0.78 -4.88 113.62 111.29 1tgz n SER 61 Ca -0.01 -1.10 -0.22 0.00 -0.26 0.00 0.00 58.87 57.28 1tgz n SER 61 Cb 0.51 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.33 1tgz n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1tgz s LEU 62 N -2.07 2.47 -0.03 1.04 1.43 0.08 -2.87 118.68 118.74 1tgz s LEU 62 Ca 0.42 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1tgz s LEU 62 Cb 0.21 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.57 1tgz s LEU 62 CO 0.37 -0.02 0.05 -0.13 0.23 0.00 0.00 176.35 176.85 1tgz s ARG 63 N -3.00 -0.04 -0.16 1.70 0.52 -0.48 -4.96 118.95 112.54 1tgz s ARG 63 Ca 0.19 0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 55.64 1tgz s ARG 63 Cb -0.05 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 1tgz s ARG 63 CO 0.08 -0.27 0.05 -0.06 0.02 0.00 0.00 175.30 175.12 1tgz s PHE 64 N 1.77 3.24 0.06 -0.53 0.40 -1.26 -0.48 117.98 121.18 1tgz s PHE 64 Ca -0.00 0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 1tgz s PHE 64 Cb -0.12 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1tgz s PHE 64 CO -0.03 0.22 -0.13 -0.51 0.70 0.00 0.00 175.22 175.47 1tgz s LEU 65 N 0.08 2.26 -0.26 -0.37 1.02 0.08 -0.43 118.68 121.06 1tgz s LEU 65 Ca 0.05 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.62 1tgz s LEU 65 Cb -0.12 -0.48 0.08 0.00 0.02 0.00 0.00 46.19 45.68 1tgz s LEU 65 CO 0.01 -0.08 0.01 0.12 0.02 0.00 0.00 176.35 176.43 1tgz s PHE 66 N -1.21 2.27 -1.28 0.29 5.36 0.14 -1.13 117.98 122.42 1tgz s PHE 66 Ca -0.02 -1.83 -0.07 0.00 -0.96 0.00 0.00 56.93 54.04 1tgz s PHE 66 Cb -0.10 -1.75 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 1tgz s PHE 66 CO 0.02 -0.81 0.96 0.39 -1.46 0.00 0.00 175.22 174.32 1tgz n GLU 67 N 4.70 -6.64 0.00 10.12 1.02 -1.26 -1.88 120.64 126.70 1tgz n GLU 67 Ca -0.07 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1tgz n GLU 67 Cb 0.44 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.28 1tgz n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tgz n GLY 68 N -1.79 2.00 3.70 0.62 0.00 -1.26 -5.02 105.19 103.43 1tgz n GLY 68 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1tgz n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tgz s GLN 69 N -0.37 4.22 0.20 1.61 -0.44 -0.79 -5.03 119.66 119.07 1tgz s GLN 69 Ca 0.00 0.16 -0.30 0.00 -2.50 0.00 0.00 55.36 52.72 1tgz s GLN 69 Cb 0.00 -3.48 -0.09 0.00 -1.64 0.00 0.00 33.01 27.80 1tgz s GLN 69 CO 0.00 0.10 1.32 0.50 0.50 0.00 0.00 175.29 177.71 1tgz s ARG 70 N 0.89 4.38 -0.45 1.67 3.52 -1.26 0.25 118.95 127.95 1tgz s ARG 70 Ca 0.18 2.07 -0.22 0.00 -0.13 0.00 0.00 55.73 57.63 1tgz s ARG 70 Cb -0.14 -3.19 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1tgz s ARG 70 CO 0.06 -0.27 0.73 0.42 -0.81 0.00 0.00 175.30 175.44 1tgz s ILE 71 N 0.14 4.71 1.13 4.11 1.01 0.43 -4.88 121.20 127.84 1tgz s ILE 71 Ca 0.57 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 1tgz s ILE 71 Cb -0.37 -4.29 0.25 0.00 0.01 0.00 0.00 42.46 38.06 1tgz s ILE 71 CO 0.38 -0.70 1.09 0.00 0.00 0.00 0.00 174.94 175.71 1tgz s ALA 72 N 3.12 0.61 -0.02 9.38 0.00 -1.26 -4.77 121.76 128.81 1tgz s ALA 72 Ca 0.27 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 1tgz s ALA 72 Cb -0.13 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 1tgz s ALA 72 CO 0.21 -3.34 0.93 -0.44 0.00 0.00 0.00 175.76 173.12 1tgz h ASP 73 N -2.34 -0.39 0.00 0.00 5.19 -1.96 -3.15 116.42 113.78 1tgz h ASP 73 Ca -0.50 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 1tgz h ASP 73 Cb 1.32 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1tgz h ASP 73 CO 0.45 0.06 0.00 0.59 -3.12 0.00 0.00 179.24 177.22 1tgz n ASN 74 N -5.10 0.00 -4.67 6.45 5.03 -1.26 -2.00 115.26 113.71 1tgz n ASN 74 Ca -0.08 -0.71 -0.31 0.00 0.87 0.00 0.00 54.58 54.35 1tgz n ASN 74 Cb 0.26 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.19 1tgz n ASN 74 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1tgz s HIS 75 N -2.00 1.73 0.01 3.10 3.76 -1.19 -4.70 115.29 115.99 1tgz s HIS 75 Ca 0.23 1.71 -0.00 0.00 -0.15 0.00 0.00 55.06 56.85 1tgz s HIS 75 Cb 0.11 -3.29 -0.01 0.00 1.11 0.00 0.00 32.58 30.50 1tgz s HIS 75 CO 0.18 -2.76 -0.01 0.99 -0.85 0.00 0.00 174.74 172.29 1tgz s THR 76 N -2.67 0.08 0.28 1.30 2.01 -1.26 -1.32 115.64 114.06 1tgz s THR 76 Ca 0.66 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1tgz s THR 76 Cb -0.22 -0.20 0.27 0.00 0.01 0.00 0.00 72.50 72.36 1tgz s THR 76 CO 0.58 -0.36 1.76 -0.65 -0.69 0.00 0.00 174.62 175.27 1tgz h PRO 77 N 5.04 0.65 -0.47 4.92 0.11 -1.76 0.11 132.00 140.60 1tgz h PRO 77 Ca -0.30 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1tgz h PRO 77 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1tgz h PRO 77 CO 0.44 0.43 -0.21 -0.22 -0.21 0.00 0.00 178.00 178.23 1tgz h LYS 78 N 0.67 0.96 0.14 1.05 1.63 -1.91 -0.09 116.57 119.02 1tgz h LYS 78 Ca 0.52 -0.40 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1tgz h LYS 78 Cb 0.79 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1tgz h LYS 78 CO -0.38 1.07 -0.07 0.93 -3.45 0.00 0.00 179.45 177.55 1tgz h GLU 79 N 0.83 -0.18 0.00 1.90 5.08 -1.24 -2.29 114.58 118.68 1tgz h GLU 79 Ca 0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1tgz h GLU 79 Cb 0.78 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1tgz h GLU 79 CO 0.06 -0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 1tgz n LEU 80 N -5.13 0.22 -3.08 1.33 4.77 0.15 -4.92 117.00 110.33 1tgz n LEU 80 Ca -0.08 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.30 1tgz n LEU 80 Cb 0.13 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1tgz n LEU 80 CO 0.34 -0.23 0.03 0.61 -1.33 0.00 0.00 177.39 176.81 1tgz n GLY 81 N 0.59 -0.92 3.65 -0.72 0.00 -0.15 -4.98 105.19 102.66 1tgz n GLY 81 Ca 0.05 0.47 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 1tgz n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tgz s MET 82 N -4.30 4.11 0.91 1.61 1.00 -0.59 -5.04 119.30 117.00 1tgz s MET 82 Ca 0.39 0.13 -0.14 0.00 0.00 0.00 0.00 55.69 56.06 1tgz s MET 82 Cb -0.05 -3.58 0.15 0.00 0.00 0.00 0.00 34.83 31.36 1tgz s MET 82 CO 0.66 -0.12 1.26 -1.83 0.00 0.00 0.00 175.02 175.00 1tgz s GLU 83 N 1.57 1.12 0.59 2.03 -1.05 -1.26 -4.91 118.70 116.80 1tgz s GLU 83 Ca 0.17 -0.19 -0.20 0.00 -0.15 0.00 0.00 54.97 54.60 1tgz s GLU 83 Cb -0.15 -1.88 -0.04 0.00 -0.44 0.00 0.00 34.13 31.62 1tgz s GLU 83 CO 0.08 -2.12 1.25 -1.91 0.95 0.00 0.00 175.26 173.52 1tgz n GLU 84 N -3.61 1.32 -2.73 -4.83 4.07 -1.26 -2.96 120.64 110.63 1tgz n GLU 84 Ca 0.12 0.50 -0.19 0.00 -0.06 0.00 0.00 57.16 57.53 1tgz n GLU 84 Cb 0.60 -2.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.51 1tgz n GLU 84 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1tgz n GLU 85 N -1.32 -2.93 -2.29 5.31 -0.58 -0.00 -4.96 120.64 113.86 1tgz n GLU 85 Ca 0.13 0.76 -0.33 0.00 -0.42 0.00 0.00 57.16 57.30 1tgz n GLU 85 Cb 0.46 -5.46 -0.02 0.00 -0.57 0.00 0.00 31.44 25.86 1tgz n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tgz s ASP 86 N -2.32 6.26 -0.12 1.62 1.01 -1.16 -4.68 116.67 117.29 1tgz s ASP 86 Ca 0.14 1.72 -0.12 0.00 0.71 0.00 0.00 52.55 55.00 1tgz s ASP 86 Cb -0.07 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1tgz s ASP 86 CO 0.18 -0.84 0.27 -0.69 0.21 0.00 0.00 175.17 174.29 1tgz s VAL 87 N -2.46 5.30 -0.27 -1.27 1.01 -1.26 -1.10 120.40 120.36 1tgz s VAL 87 Ca 0.62 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1tgz s VAL 87 Cb -0.13 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1tgz s VAL 87 CO 0.31 0.49 -0.03 -0.63 0.00 0.00 0.00 175.10 175.24 1tgz s ILE 88 N -0.26 2.96 0.21 2.22 1.01 -0.40 -4.69 121.20 122.25 1tgz s ILE 88 Ca 0.17 -1.13 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 1tgz s ILE 88 Cb -0.13 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 1tgz s ILE 88 CO 0.05 0.09 0.81 -1.61 0.00 0.00 0.00 174.94 174.29 1tgz s GLU 89 N 1.31 4.53 -0.10 2.79 2.02 -0.29 -1.83 118.70 127.13 1tgz s GLU 89 Ca -0.02 1.16 0.02 0.00 0.02 0.00 0.00 54.97 56.16 1tgz s GLU 89 Cb -0.18 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1tgz s GLU 89 CO -0.03 0.48 -0.18 0.08 0.02 0.00 0.00 175.26 175.63 1tgz s VAL 90 N -1.31 2.66 0.19 2.63 1.01 -0.15 -0.74 120.40 124.68 1tgz s VAL 90 Ca 0.40 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1tgz s VAL 90 Cb -0.21 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1tgz s VAL 90 CO 0.25 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.42 1tgz s TYR 91 N 0.07 1.82 0.08 5.22 1.51 0.36 -3.28 117.35 123.14 1tgz s TYR 91 Ca -0.08 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1tgz s TYR 91 Cb -0.15 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1tgz s TYR 91 CO 0.05 0.37 0.16 -0.65 -1.11 0.00 0.00 175.55 174.37 1tgz s GLN 92 N -3.12 3.20 0.30 -0.62 -0.21 -1.26 -1.38 119.66 116.57 1tgz s GLN 92 Ca 0.19 -0.56 -0.27 0.00 0.02 0.00 0.00 55.36 54.74 1tgz s GLN 92 Cb -0.04 -2.90 -0.14 0.00 1.00 0.00 0.00 33.01 30.93 1tgz s GLN 92 CO 0.07 0.58 0.84 -1.91 -2.12 0.00 0.00 175.29 172.76 1tgz n GLU 93 N 0.27 0.97 -4.29 2.91 2.13 -1.14 -4.95 120.64 116.54 1tgz n GLU 93 Ca -0.07 0.34 -0.27 0.00 0.66 0.00 0.00 57.16 57.82 1tgz n GLU 93 Cb 0.52 -1.64 -0.10 0.00 0.27 0.00 0.00 31.44 30.48 1tgz n GLU 93 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1tgz s GLN 94 N -1.49 2.00 0.05 5.31 -0.21 -1.26 -5.12 119.66 118.94 1tgz s GLN 94 Ca 0.61 -1.25 -0.18 0.00 0.02 0.00 0.00 55.36 54.56 1tgz s GLN 94 Cb -0.72 -2.15 0.04 0.00 1.00 0.00 0.00 33.01 31.18 1tgz s GLN 94 CO 0.59 0.45 0.41 0.95 -2.12 0.00 0.00 175.29 175.56 1tgz s THR 95 N -1.58 0.06 0.15 -0.19 -4.23 -1.26 -5.18 115.64 103.41 1tgz s THR 95 Ca 0.23 -0.47 -0.19 0.00 -1.18 0.00 0.00 61.69 60.09 1tgz s THR 95 Cb -0.09 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.84 1tgz s THR 95 CO 0.14 -0.26 0.49 -0.83 -0.54 0.00 0.00 174.62 173.63 1tgz s GLY 96 N -2.03 -0.40 0.00 3.99 0.00 -1.26 -5.32 107.32 102.31 1tgz s GLY 96 Ca -0.05 0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.87 1tgz s GLY 96 CO -0.03 -0.11 0.65 0.61 0.00 0.00 0.00 173.10 174.22