#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ztz s GLN 2 N 0.00 3.18 -0.19 0.54 0.74 -1.26 -5.09 119.66 117.58 1ztz s GLN 2 Ca 0.00 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 1ztz s GLN 2 Cb 0.00 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.31 1ztz s GLN 2 CO 0.00 -0.21 -0.08 0.42 -0.55 0.00 0.00 175.29 174.87 1ztz s ILE 3 N 1.39 3.16 0.76 -2.34 1.01 -1.26 -5.10 121.20 118.82 1ztz s ILE 3 Ca 0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1ztz s ILE 3 Cb -0.14 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1ztz s ILE 3 CO -0.08 0.46 1.10 0.42 0.00 0.00 0.00 174.94 176.85 1ztz s THR 4 N 1.16 3.15 -0.52 2.92 -4.23 -1.26 -5.01 115.64 111.85 1ztz s THR 4 Ca 0.02 0.37 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1ztz s THR 4 Cb -0.14 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.79 1ztz s THR 4 CO -0.02 -0.49 1.27 0.18 -0.54 0.00 0.00 174.62 175.02 1ztz n LEU 5 N -3.24 3.09 -0.32 4.79 4.77 -1.26 -4.51 117.00 120.31 1ztz n LEU 5 Ca 0.07 -2.40 0.04 0.00 -0.03 0.00 0.00 56.01 53.69 1ztz n LEU 5 Cb 0.57 -0.32 0.23 0.00 -2.33 0.00 0.00 43.42 41.58 1ztz n LEU 5 CO 0.57 0.68 1.25 -0.50 -1.33 0.00 0.00 177.39 178.06 1ztz h TRP 6 N 1.57 1.08 -2.03 -1.77 4.06 -2.06 -3.42 115.95 113.39 1ztz h TRP 6 Ca 0.00 0.03 -0.58 0.00 2.06 0.00 0.00 58.89 60.40 1ztz h TRP 6 Cb 0.95 -0.35 -0.11 0.00 -1.00 0.00 0.00 29.16 28.65 1ztz h TRP 6 CO 0.27 0.54 -0.64 0.15 -3.56 0.00 0.00 178.44 175.21 1ztz s LYS 7 N -5.93 2.10 0.03 0.49 1.02 -1.26 -5.09 119.74 111.11 1ztz s LYS 7 Ca -0.12 -1.65 -0.37 0.00 0.02 0.00 0.00 55.97 53.85 1ztz s LYS 7 Cb 0.20 -1.98 -0.17 0.00 -0.52 0.00 0.00 37.83 35.36 1ztz s LYS 7 CO 0.80 0.22 1.39 0.54 -0.92 0.00 0.00 175.35 177.38 1ztz n ARG 8 N -0.91 1.11 -1.72 1.68 1.74 -1.26 -4.84 116.66 112.45 1ztz n ARG 8 Ca -0.05 0.40 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 1ztz n ARG 8 Cb 0.61 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 1ztz n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ztz n PRO 9 N 2.88 2.00 -3.50 5.56 -0.04 -1.26 -4.91 135.00 135.73 1ztz n PRO 9 Ca 0.20 -2.36 -0.37 0.00 -0.04 0.00 0.00 63.50 60.93 1ztz n PRO 9 Cb 0.18 -3.30 -0.08 0.00 -0.04 0.00 0.00 33.50 30.26 1ztz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ztz s LEU 10 N 4.67 4.19 0.19 1.53 1.43 -1.26 -0.54 118.68 128.90 1ztz s LEU 10 Ca 0.58 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 54.20 1ztz s LEU 10 Cb 0.08 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1ztz s LEU 10 CO 0.08 0.03 -0.14 0.68 0.23 0.00 0.00 176.35 177.23 1ztz s VAL 11 N 0.86 1.66 -0.03 -1.59 -7.23 0.32 -4.90 120.40 109.48 1ztz s VAL 11 Ca 0.16 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1ztz s VAL 11 Cb -0.14 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1ztz s VAL 11 CO 0.05 -0.59 1.20 -0.89 -0.31 0.00 0.00 175.10 174.56 1ztz s THR 12 N -2.92 4.21 0.11 5.32 2.01 -1.26 -0.34 115.64 122.77 1ztz s THR 12 Ca 0.21 1.55 0.09 0.00 0.31 0.00 0.00 61.69 63.85 1ztz s THR 12 Cb -0.01 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1ztz s THR 12 CO 0.06 0.02 -0.21 0.27 -0.69 0.00 0.00 174.62 174.08 1ztz s ILE 13 N 1.97 2.67 -0.17 1.82 -4.36 0.36 -3.97 121.20 119.52 1ztz s ILE 13 Ca 0.57 -1.53 -0.04 0.00 -0.26 0.00 0.00 60.65 59.38 1ztz s ILE 13 Cb -0.26 -2.20 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 1ztz s ILE 13 CO 0.24 0.13 -0.03 -0.75 0.24 0.00 0.00 174.94 174.76 1ztz s LYS 14 N -2.03 3.63 -0.23 0.37 2.20 0.18 -0.36 119.74 123.50 1ztz s LYS 14 Ca 0.16 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.13 1ztz s LYS 14 Cb -0.10 -2.94 0.08 0.00 -1.51 0.00 0.00 37.83 33.36 1ztz s LYS 14 CO 0.08 0.17 0.54 -1.50 -0.36 0.00 0.00 175.35 174.28 1ztz s ILE 15 N 0.56 -0.26 -1.36 5.43 2.07 -0.18 -0.64 121.20 126.83 1ztz s ILE 15 Ca -0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1ztz s ILE 15 Cb -0.14 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.65 1ztz s ILE 15 CO 0.03 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1ztz n GLY 16 N 4.64 -0.00 2.52 1.50 0.00 -1.26 -0.85 105.19 111.73 1ztz n GLY 16 Ca -0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 1ztz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ztz n GLY 17 N -1.03 0.73 3.52 -0.02 0.00 -1.26 -5.00 105.19 102.13 1ztz n GLY 17 Ca -0.18 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1ztz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ztz s GLN 18 N -2.09 1.87 -0.17 1.61 -0.21 -0.03 -5.12 119.66 115.51 1ztz s GLN 18 Ca 0.00 -1.52 -0.07 0.00 0.02 0.00 0.00 55.36 53.80 1ztz s GLN 18 Cb 0.00 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1ztz s GLN 18 CO 0.00 0.38 0.05 -0.51 -2.12 0.00 0.00 175.29 173.09 1ztz s LEU 19 N -3.19 3.74 0.09 2.90 1.43 -1.26 -1.01 118.68 121.38 1ztz s LEU 19 Ca 0.27 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1ztz s LEU 19 Cb -0.07 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1ztz s LEU 19 CO 0.15 0.19 -0.11 -0.54 0.23 0.00 0.00 176.35 176.27 1ztz s LYS 20 N 0.28 0.84 -0.02 1.70 -0.14 0.51 -4.97 119.74 117.93 1ztz s LYS 20 Ca 0.03 -1.11 -0.14 0.00 -1.36 0.00 0.00 55.97 53.38 1ztz s LYS 20 Cb -0.13 -0.59 -0.05 0.00 -1.68 0.00 0.00 37.83 35.38 1ztz s LYS 20 CO 0.01 0.10 0.38 -2.00 -0.76 0.00 0.00 175.35 173.08 1ztz s GLU 21 N -2.56 3.90 0.01 1.68 2.56 -1.26 -0.49 118.70 122.55 1ztz s GLU 21 Ca 0.04 0.35 -0.10 0.00 0.00 0.00 0.00 54.97 55.25 1ztz s GLU 21 Cb -0.04 -3.23 0.01 0.00 2.00 0.00 0.00 34.13 32.86 1ztz s GLU 21 CO 0.01 0.66 0.21 0.00 -0.56 0.00 0.00 175.26 175.58 1ztz s ALA 22 N -0.95 -0.48 -0.23 6.30 0.00 0.54 -4.37 121.76 122.56 1ztz s ALA 22 Ca 0.23 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 1ztz s ALA 22 Cb -0.16 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ztz s ALA 22 CO 0.12 -0.29 0.52 -1.17 0.00 0.00 0.00 175.76 174.94 1ztz s LEU 23 N -1.66 4.09 -0.54 0.00 2.96 0.94 -0.52 118.68 123.94 1ztz s LEU 23 Ca -0.10 0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 54.12 1ztz s LEU 23 Cb -0.04 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.97 1ztz s LEU 23 CO 0.00 -0.24 1.38 -0.76 -1.32 0.00 0.00 176.35 175.41 1ztz s LEU 24 N 2.01 3.44 -0.34 -0.68 1.43 0.30 0.39 118.68 125.23 1ztz s LEU 24 Ca 0.23 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1ztz s LEU 24 Cb -0.15 -3.15 0.10 0.00 0.03 0.00 0.00 46.19 43.02 1ztz s LEU 24 CO 0.09 -1.63 0.05 -0.62 0.23 0.00 0.00 176.35 174.47 1ztz s ASP 25 N 4.12 4.73 0.29 2.29 -1.08 0.14 -4.76 116.67 122.39 1ztz s ASP 25 Ca 0.52 -2.13 0.25 0.00 -0.52 0.00 0.00 52.55 50.68 1ztz s ASP 25 Cb -0.11 -1.59 0.98 0.00 -1.46 0.00 0.00 42.92 40.74 1ztz s ASP 25 CO 0.26 -0.38 1.75 0.71 0.52 0.00 0.00 175.17 178.04 1ztz h THR 26 N 6.61 0.00 0.00 1.71 1.35 -1.94 -1.77 112.91 118.87 1ztz h THR 26 Ca -0.05 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1ztz h THR 26 Cb 1.02 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ztz h THR 26 CO 0.52 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.38 1ztz n GLY 27 N 0.29 -1.55 3.68 5.82 0.00 -1.26 -4.77 105.19 107.40 1ztz n GLY 27 Ca 0.03 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1ztz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ztz s ALA 28 N -3.03 3.61 0.23 4.61 0.00 -0.66 -4.98 121.76 121.53 1ztz s ALA 28 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1ztz s ALA 28 Cb 0.17 -2.37 0.23 0.00 0.00 0.00 0.00 23.12 21.16 1ztz s ALA 28 CO 0.55 -0.12 1.58 -0.44 0.00 0.00 0.00 175.76 177.33 1ztz h ASP 29 N 7.25 0.49 -4.27 0.00 3.32 -1.86 0.23 116.42 121.59 1ztz h ASP 29 Ca -0.38 -0.24 -0.42 0.00 0.02 0.00 0.00 57.03 56.01 1ztz h ASP 29 Cb 1.16 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.49 1ztz h ASP 29 CO 0.70 0.89 -0.34 0.47 -1.72 0.00 0.00 179.24 179.24 1ztz n ASP 30 N -3.98 1.61 -4.05 6.45 8.00 -1.26 -1.76 116.55 121.55 1ztz n ASP 30 Ca -0.02 -2.57 -0.28 0.00 0.71 0.00 0.00 54.79 52.63 1ztz n ASP 30 Cb 0.55 0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 42.10 1ztz n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ztz s THR 31 N -2.56 1.43 -0.08 -3.53 2.01 -1.26 -2.37 115.64 109.28 1ztz s THR 31 Ca 0.11 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1ztz s THR 31 Cb 0.01 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1ztz s THR 31 CO 0.08 0.43 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.54 1ztz s VAL 32 N 0.91 1.78 0.03 3.82 1.01 -0.67 -0.42 120.40 126.86 1ztz s VAL 32 Ca -0.09 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1ztz s VAL 32 Cb -0.15 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1ztz s VAL 32 CO -0.00 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 1ztz s ILE 33 N 0.32 1.19 0.71 2.22 -1.09 0.11 0.08 121.20 124.75 1ztz s ILE 33 Ca -0.15 -0.98 -0.16 0.00 -2.23 0.00 0.00 60.65 57.13 1ztz s ILE 33 Cb -0.16 -1.06 -0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1ztz s ILE 33 CO 0.06 0.07 0.65 -1.84 -1.23 0.00 0.00 174.94 172.66 1ztz n GLU 34 N 1.99 0.36 -1.74 2.79 0.28 -1.21 -0.59 120.64 122.54 1ztz n GLU 34 Ca -0.17 0.17 -0.42 0.00 -0.16 0.00 0.00 57.16 56.57 1ztz n GLU 34 Cb 0.55 -1.93 -0.02 0.00 1.43 0.00 0.00 31.44 31.47 1ztz n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ztz n GLU 35 N -1.03 2.61 -3.56 3.44 2.13 -0.24 -4.23 120.64 119.77 1ztz n GLU 35 Ca 0.11 0.93 -0.08 0.00 0.66 0.00 0.00 57.16 58.77 1ztz n GLU 35 Cb 0.50 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.50 1ztz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ztz s MET 36 N -0.62 1.11 -0.18 5.31 0.23 -1.26 -4.95 119.30 118.94 1ztz s MET 36 Ca 0.64 -0.48 -0.28 0.00 -1.03 0.00 0.00 55.69 54.54 1ztz s MET 36 Cb -0.51 0.47 -0.00 0.00 -1.53 0.00 0.00 34.83 33.25 1ztz s MET 36 CO 0.50 -0.50 0.96 -1.54 -2.03 0.00 0.00 175.02 172.41 1ztz s SER 37 N -2.68 7.09 0.13 -1.18 1.04 -1.26 -5.01 113.70 111.83 1ztz s SER 37 Ca 0.06 1.35 0.11 0.00 0.48 0.00 0.00 55.95 57.94 1ztz s SER 37 Cb -0.02 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1ztz s SER 37 CO -0.07 -0.52 -0.26 -0.76 0.98 0.00 0.00 173.24 172.61 1ztz s LEU 38 N 2.54 2.35 0.40 2.42 1.43 -1.26 -4.86 118.68 121.70 1ztz s LEU 38 Ca 0.43 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.54 1ztz s LEU 38 Cb -0.16 -1.25 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 1ztz s LEU 38 CO 0.11 0.18 1.23 -2.16 0.23 0.00 0.00 176.35 175.94 1ztz s PRO 39 N -2.07 4.05 3.43 1.29 0.04 -1.26 -4.93 135.00 135.54 1ztz s PRO 39 Ca 0.14 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1ztz s PRO 39 Cb -0.10 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1ztz s PRO 39 CO 0.06 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1ztz n GLY 40 N 0.68 0.11 3.86 0.56 0.00 -1.26 -4.94 105.19 104.21 1ztz n GLY 40 Ca 0.04 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 1ztz n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ztz s ARG 41 N 0.00 3.92 0.17 1.61 1.04 -1.26 -5.06 118.95 119.37 1ztz s ARG 41 Ca 0.00 0.48 -0.21 0.00 -1.04 0.00 0.00 55.73 54.96 1ztz s ARG 41 Cb 0.00 -2.59 0.06 0.00 -2.04 0.00 0.00 34.95 30.37 1ztz s ARG 41 CO 0.00 0.27 0.59 1.67 -0.04 0.00 0.00 175.30 177.78 1ztz s TRP 42 N -1.84 -0.42 0.09 5.89 1.48 -1.26 -4.62 118.94 118.25 1ztz s TRP 42 Ca 0.49 0.16 0.09 0.00 -1.06 0.00 0.00 56.10 55.78 1ztz s TRP 42 Cb -0.11 0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 32.69 1ztz s TRP 42 CO 0.19 -0.89 -0.24 -1.59 -4.06 0.00 0.00 176.95 170.37 1ztz s LYS 43 N -3.79 1.42 0.11 3.25 -2.85 -0.28 -4.88 119.74 112.72 1ztz s LYS 43 Ca 0.03 -1.18 -0.31 0.00 -1.00 0.00 0.00 55.97 53.51 1ztz s LYS 43 Cb -0.01 -1.72 -0.08 0.00 -2.06 0.00 0.00 37.83 33.95 1ztz s LYS 43 CO -0.10 0.42 1.41 -1.25 0.10 0.00 0.00 175.35 175.94 1ztz s PRO 44 N -1.69 4.30 0.16 1.78 0.04 -1.26 -0.31 135.00 138.03 1ztz s PRO 44 Ca 0.11 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1ztz s PRO 44 Cb -0.10 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1ztz s PRO 44 CO 0.04 -0.47 -0.09 0.15 0.04 0.00 0.00 177.00 176.68 1ztz s LYS 45 N 1.21 1.10 0.01 4.56 3.01 -0.34 -4.90 119.74 124.40 1ztz s LYS 45 Ca 0.65 -1.49 0.06 0.00 -1.01 0.00 0.00 55.97 54.19 1ztz s LYS 45 Cb -0.37 -0.62 -0.02 0.00 -1.01 0.00 0.00 37.83 35.81 1ztz s LYS 45 CO 0.30 0.05 -0.18 0.00 0.51 0.00 0.00 175.35 176.03 1ztz s MET 46 N -3.77 1.38 -0.02 1.68 0.23 -1.26 -1.72 119.30 115.82 1ztz s MET 46 Ca 0.19 -0.72 -0.12 0.00 -1.03 0.00 0.00 55.69 54.00 1ztz s MET 46 Cb 0.03 -1.38 0.02 0.00 -1.53 0.00 0.00 34.83 31.96 1ztz s MET 46 CO 0.02 0.37 0.25 0.96 -2.03 0.00 0.00 175.02 174.59 1ztz s ILE 47 N -0.55 0.06 0.00 3.16 -4.36 -0.86 -4.54 121.20 114.11 1ztz s ILE 47 Ca 0.06 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 1ztz s ILE 47 Cb -0.07 -0.53 0.00 0.00 1.25 0.00 0.00 42.46 43.11 1ztz s ILE 47 CO 0.00 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.53 1ztz n GLY 48 N 1.56 1.55 3.78 6.27 0.00 -1.26 0.36 105.19 117.44 1ztz n GLY 48 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1ztz n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ztz s GLY 49 N -0.92 2.64 -0.97 -0.02 0.00 -1.26 -4.63 107.32 102.15 1ztz s GLY 49 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 44.72 43.26 1ztz s GLY 49 CO 0.00 -2.05 1.61 -0.42 0.00 0.00 0.00 173.10 172.24 1ztz s ILE 50 N -2.77 3.76 0.00 0.90 1.01 -1.26 -3.24 121.20 119.60 1ztz s ILE 50 Ca 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1ztz s ILE 50 Cb 0.02 -4.70 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1ztz s ILE 50 CO 0.14 -1.61 0.00 0.61 0.00 0.00 0.00 174.94 174.08 1ztz n GLY 51 N 6.85 1.91 0.00 6.18 0.00 -1.26 -5.09 105.19 113.78 1ztz n GLY 51 Ca 0.35 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ztz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ztz n GLY 52 N 0.00 2.36 1.18 -0.02 0.00 -1.20 -4.67 105.19 102.83 1ztz n GLY 52 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ztz n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ztz n PHE 53 N -0.53 -0.33 -3.50 1.61 3.72 -0.48 -4.42 117.46 113.53 1ztz n PHE 53 Ca 0.00 0.06 -0.37 0.00 -0.05 0.00 0.00 57.45 57.09 1ztz n PHE 53 Cb 0.00 0.08 -0.07 0.00 -0.94 0.00 0.00 39.48 38.55 1ztz n PHE 53 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ztz s ILE 54 N -2.00 5.28 -0.22 4.37 -5.25 1.12 -4.66 121.20 119.84 1ztz s ILE 54 Ca 0.00 0.58 -0.29 0.00 -0.99 0.00 0.00 60.65 59.95 1ztz s ILE 54 Cb 0.00 -3.66 -0.03 0.00 2.95 0.00 0.00 42.46 41.73 1ztz s ILE 54 CO 0.00 0.34 1.62 -0.54 -1.79 0.00 0.00 174.94 174.58 1ztz s LYS 55 N 0.77 3.78 -0.00 0.37 1.02 -1.26 -2.03 119.74 122.39 1ztz s LYS 55 Ca 0.17 1.66 0.05 0.00 0.02 0.00 0.00 55.97 57.87 1ztz s LYS 55 Cb -0.14 -4.04 -0.01 0.00 -0.52 0.00 0.00 37.83 33.12 1ztz s LYS 55 CO 0.05 -1.31 -0.17 0.14 -0.92 0.00 0.00 175.35 173.14 1ztz s VAL 56 N 5.26 1.31 -0.20 3.17 -7.23 -0.70 -4.59 120.40 117.42 1ztz s VAL 56 Ca 0.72 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 1ztz s VAL 56 Cb -0.25 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.59 1ztz s VAL 56 CO 0.29 0.32 1.01 -0.13 -0.31 0.00 0.00 175.10 176.29 1ztz s ARG 57 N -0.51 4.29 -0.40 4.82 0.52 -1.03 -1.19 118.95 125.43 1ztz s ARG 57 Ca 0.06 1.32 -0.27 0.00 -0.52 0.00 0.00 55.73 56.32 1ztz s ARG 57 Cb -0.07 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 31.81 1ztz s ARG 57 CO -0.00 -0.54 0.99 -1.14 0.02 0.00 0.00 175.30 174.62 1ztz s GLN 58 N 2.87 3.78 -0.20 3.54 0.74 0.58 -0.64 119.66 130.34 1ztz s GLN 58 Ca 0.44 0.55 -0.06 0.00 0.05 0.00 0.00 55.36 56.34 1ztz s GLN 58 Cb -0.16 -3.84 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 1ztz s GLN 58 CO 0.09 -1.09 0.02 0.71 -0.55 0.00 0.00 175.29 174.47 1ztz s TYR 59 N 3.75 3.08 0.46 1.67 2.02 -0.50 -1.13 117.35 126.71 1ztz s TYR 59 Ca 0.41 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1ztz s TYR 59 Cb -0.11 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1ztz s TYR 59 CO 0.23 -0.17 0.68 -0.51 -1.57 0.00 0.00 175.55 174.20 1ztz s ASP 60 N 0.94 5.76 -1.50 2.29 1.01 -1.26 -1.16 116.67 122.74 1ztz s ASP 60 Ca 0.02 0.21 -0.13 0.00 0.71 0.00 0.00 52.55 53.37 1ztz s ASP 60 Cb -0.14 -1.42 0.07 0.00 1.01 0.00 0.00 42.92 42.44 1ztz s ASP 60 CO 0.02 -0.75 1.02 0.00 0.21 0.00 0.00 175.17 175.67 1ztz n GLN 61 N -2.10 -6.00 -3.12 8.23 6.02 -1.10 -4.90 117.38 114.41 1ztz n GLN 61 Ca 0.02 0.64 -0.39 0.00 -0.01 0.00 0.00 57.00 57.26 1ztz n GLN 61 Cb 0.58 -5.57 -0.05 0.00 1.02 0.00 0.00 30.24 26.22 1ztz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ztz s ILE 62 N -3.30 5.08 -0.06 5.09 -1.09 -0.06 -4.77 121.20 122.08 1ztz s ILE 62 Ca 0.65 1.29 -0.27 0.00 -2.23 0.00 0.00 60.65 60.09 1ztz s ILE 62 Cb -0.32 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1ztz s ILE 62 CO 0.81 0.25 0.89 -0.63 -1.23 0.00 0.00 174.94 175.03 1ztz s ILE 63 N 0.91 4.90 0.02 2.92 1.01 -1.26 -1.82 121.20 127.89 1ztz s ILE 63 Ca 0.34 1.83 0.07 0.00 0.00 0.00 0.00 60.65 62.88 1ztz s ILE 63 Cb -0.17 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1ztz s ILE 63 CO 0.15 0.13 -0.21 -0.63 0.00 0.00 0.00 174.94 174.38 1ztz s ILE 64 N 1.33 1.71 -0.10 2.92 1.01 -0.01 -4.49 121.20 123.56 1ztz s ILE 64 Ca 0.45 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1ztz s ILE 64 Cb -0.19 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1ztz s ILE 64 CO 0.21 0.31 -0.12 -0.70 0.00 0.00 0.00 174.94 174.63 1ztz s GLU 65 N -0.96 3.10 -0.24 2.79 2.12 0.19 -0.86 118.70 124.83 1ztz s GLU 65 Ca 0.08 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.75 1ztz s GLU 65 Cb -0.09 -2.58 0.06 0.00 0.26 0.00 0.00 34.13 31.79 1ztz s GLU 65 CO 0.01 0.37 -0.03 0.42 -0.54 0.00 0.00 175.26 175.49 1ztz s ILE 66 N -0.07 1.46 -1.53 -3.70 1.01 0.57 -0.65 121.20 118.29 1ztz s ILE 66 Ca -0.02 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 59.34 1ztz s ILE 66 Cb -0.14 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.61 1ztz s ILE 66 CO 0.04 -0.16 0.41 0.00 0.00 0.00 0.00 174.94 175.22 1ztz n GLY 68 N -1.95 0.77 3.16 0.00 0.00 -1.26 -4.88 105.19 101.02 1ztz n GLY 68 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1ztz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ztz s HIS 69 N -2.18 3.10 0.14 1.61 4.02 -0.53 -5.10 115.29 116.35 1ztz s HIS 69 Ca 0.00 -1.76 -0.25 0.00 1.02 0.00 0.00 55.06 54.07 1ztz s HIS 69 Cb 0.00 -2.02 -0.07 0.00 -1.02 0.00 0.00 32.58 29.46 1ztz s HIS 69 CO 0.00 -0.78 0.76 0.15 1.02 0.00 0.00 174.74 175.89 1ztz s LYS 70 N 1.27 4.53 0.03 1.40 1.02 -1.26 -0.32 119.74 126.41 1ztz s LYS 70 Ca -0.02 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.09 1ztz s LYS 70 Cb -0.17 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1ztz s LYS 70 CO -0.05 0.54 -0.04 0.00 -0.92 0.00 0.00 175.35 174.87 1ztz s ALA 71 N -0.98 0.27 -0.04 5.17 0.00 -0.04 -4.71 121.76 121.42 1ztz s ALA 71 Ca 0.36 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1ztz s ALA 71 Cb -0.22 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1ztz s ALA 71 CO 0.25 -0.13 -0.18 0.42 0.00 0.00 0.00 175.76 176.12 1ztz s ILE 72 N -1.58 1.47 0.00 0.00 1.01 -1.26 -0.83 121.20 120.01 1ztz s ILE 72 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ztz s ILE 72 Cb -0.09 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1ztz s ILE 72 CO -0.01 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1ztz n GLY 73 N 3.08 0.45 3.71 6.18 0.00 -0.75 -4.90 105.19 112.97 1ztz n GLY 73 Ca -0.18 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1ztz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ztz s THR 74 N -2.01 4.94 -0.04 2.61 2.01 -1.26 -0.88 115.64 121.00 1ztz s THR 74 Ca 0.00 1.81 0.04 0.00 0.31 0.00 0.00 61.69 63.84 1ztz s THR 74 Cb 0.00 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.30 1ztz s THR 74 CO 0.00 0.19 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.27 1ztz s VAL 75 N 0.99 1.31 -0.31 3.82 1.01 -0.31 -4.47 120.40 122.44 1ztz s VAL 75 Ca 0.46 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1ztz s VAL 75 Cb -0.20 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1ztz s VAL 75 CO 0.23 0.38 0.50 -0.76 0.00 0.00 0.00 175.10 175.45 1ztz s LEU 76 N 0.13 4.21 -0.32 3.92 1.43 0.44 -1.40 118.68 127.08 1ztz s LEU 76 Ca -0.05 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1ztz s LEU 76 Cb -0.12 -2.59 0.06 0.00 0.03 0.00 0.00 46.19 43.57 1ztz s LEU 76 CO 0.02 -0.38 0.04 -0.69 0.23 0.00 0.00 176.35 175.57 1ztz s VAL 77 N 2.33 3.05 0.18 -1.59 1.01 0.19 0.09 120.40 125.67 1ztz s VAL 77 Ca 0.19 -1.51 -0.14 0.00 0.00 0.00 0.00 61.98 60.52 1ztz s VAL 77 Cb -0.16 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1ztz s VAL 77 CO 0.12 -0.22 0.71 0.61 0.00 0.00 0.00 175.10 176.32 1ztz n GLY 78 N 4.62 0.92 2.23 4.51 0.00 0.24 -2.48 105.19 115.23 1ztz n GLY 78 Ca -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1ztz n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ztz n PRO 79 N -0.50 0.00 -1.80 1.61 -0.02 -1.26 -1.08 135.00 131.96 1ztz n PRO 79 Ca -0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 1ztz n PRO 79 Cb 0.43 -1.46 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 1ztz n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1ztz s THR 80 N 2.38 2.08 -0.82 3.45 -1.32 -1.26 -4.89 115.64 115.26 1ztz s THR 80 Ca 0.00 0.07 0.20 0.00 -1.21 0.00 0.00 61.69 60.74 1ztz s THR 80 Cb 0.00 -3.04 0.18 0.00 -1.51 0.00 0.00 72.50 68.14 1ztz s THR 80 CO 0.00 0.01 1.61 -0.81 -2.21 0.00 0.00 174.62 173.22 1ztz n PRO 81 N -0.57 0.08 -3.79 7.08 -0.04 -1.26 -4.69 135.00 131.80 1ztz n PRO 81 Ca 0.07 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1ztz n PRO 81 Cb 0.43 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 1ztz n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ztz s VAL 82 N -3.11 -0.01 0.03 0.52 1.01 -1.26 -5.11 120.40 112.47 1ztz s VAL 82 Ca 0.07 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1ztz s VAL 82 Cb 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1ztz s VAL 82 CO 0.35 0.02 1.27 0.20 0.00 0.00 0.00 175.10 176.94 1ztz s ASN 83 N 0.37 6.99 -0.15 3.32 0.01 -1.26 -4.75 114.94 119.46 1ztz s ASN 83 Ca -0.02 2.03 -0.00 0.00 -0.71 0.00 0.00 52.86 54.16 1ztz s ASN 83 Cb -0.04 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1ztz s ASN 83 CO -0.02 -0.57 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.28 1ztz s ILE 84 N 1.63 1.28 -0.37 0.60 1.01 0.11 -0.04 121.20 125.42 1ztz s ILE 84 Ca 0.60 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 1ztz s ILE 84 Cb -0.30 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1ztz s ILE 84 CO 0.27 0.27 0.58 -0.63 0.00 0.00 0.00 174.94 175.43 1ztz s ILE 85 N 1.58 4.94 0.25 2.92 -1.09 0.16 -1.67 121.20 128.29 1ztz s ILE 85 Ca 0.02 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.86 1ztz s ILE 85 Cb -0.14 -4.05 0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1ztz s ILE 85 CO -0.09 -0.32 0.35 0.61 -1.23 0.00 0.00 174.94 174.26 1ztz n GLY 86 N 4.79 1.82 0.33 6.18 0.00 -1.00 -0.69 105.19 116.62 1ztz n GLY 86 Ca -0.03 -2.15 0.07 0.00 0.00 0.00 0.00 46.02 43.90 1ztz n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ztz h ARG 87 N 0.00 0.56 -0.80 1.61 3.08 -0.48 -1.23 114.38 117.11 1ztz h ARG 87 Ca -0.12 -0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.09 1ztz h ARG 87 Cb 0.53 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1ztz h ARG 87 CO 0.16 0.37 0.55 -2.95 -1.07 0.00 0.00 179.97 177.03 1ztz h ASN 88 N 0.57 0.27 0.00 7.04 -1.07 -1.61 -0.52 115.58 120.27 1ztz h ASN 88 Ca 0.23 0.02 -0.27 0.00 0.07 0.00 0.00 56.30 56.35 1ztz h ASN 88 Cb 0.18 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 36.35 1ztz h ASN 88 CO -0.06 0.12 -2.14 0.18 0.07 0.00 0.00 177.43 175.60 1ztz n LEU 89 N -4.44 0.00 -0.10 6.14 4.77 -0.62 -4.33 117.00 118.42 1ztz n LEU 89 Ca 0.16 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.18 1ztz n LEU 89 Cb 0.68 0.36 0.37 0.00 -2.33 0.00 0.00 43.42 42.49 1ztz n LEU 89 CO 0.34 0.36 1.20 -0.07 -1.33 0.00 0.00 177.39 177.88 1ztz h LEU 90 N 0.00 0.61 -1.10 2.23 3.38 -0.83 -0.54 115.31 119.07 1ztz h LEU 90 Ca -0.40 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1ztz h LEU 90 Cb 1.88 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1ztz h LEU 90 CO 0.02 0.43 -0.43 0.71 0.09 0.00 0.00 178.44 179.27 1ztz h THR 91 N 0.72 1.19 0.00 0.22 1.35 -1.32 -1.20 112.91 113.87 1ztz h THR 91 Ca 0.22 -1.52 -0.09 0.00 -0.55 0.00 0.00 66.41 64.48 1ztz h THR 91 Cb 0.01 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1ztz h THR 91 CO -0.06 0.42 -0.42 1.56 -0.25 0.00 0.00 175.52 176.77 1ztz h GLN 92 N 0.00 0.00 -0.35 4.72 1.08 -1.29 -2.62 115.11 116.65 1ztz h GLN 92 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ztz h GLN 92 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1ztz h GLN 92 CO 0.06 0.42 0.00 0.44 -0.95 0.00 0.00 178.83 178.80 1ztz n ILE 93 N -3.53 0.45 -1.70 2.54 -5.35 -1.08 -4.81 119.36 105.88 1ztz n ILE 93 Ca -0.00 -0.65 -0.05 0.00 -0.27 0.00 0.00 62.75 61.78 1ztz n ILE 93 Cb 0.55 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 39.23 1ztz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ztz n GLY 94 N 1.41 0.41 3.68 3.28 0.00 -0.99 -4.97 105.19 108.02 1ztz n GLY 94 Ca 0.19 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1ztz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ztz s THR 96 N 2.31 1.95 0.00 0.00 -4.23 -1.26 -4.66 115.64 109.75 1ztz s THR 96 Ca 0.49 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.72 1ztz s THR 96 Cb -0.19 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1ztz s THR 96 CO 0.17 -0.28 0.32 -0.76 -0.54 0.00 0.00 174.62 173.52 1ztz s LEU 97 N -3.51 4.40 -0.11 4.79 1.43 -1.26 -5.07 118.68 119.34 1ztz s LEU 97 Ca 0.30 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 54.05 1ztz s LEU 97 Cb 0.02 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.67 1ztz s LEU 97 CO 0.14 0.28 0.26 0.20 0.23 0.00 0.00 176.35 177.46 1ztz s ASN 98 N -1.44 -0.20 0.00 2.29 0.01 -1.26 -5.28 114.94 109.06 1ztz s ASN 98 Ca 0.26 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 1ztz s ASN 98 Cb -0.14 0.49 0.00 0.00 0.41 0.00 0.00 41.25 42.01 1ztz s ASN 98 CO 0.14 -0.18 0.00 2.22 -1.51 0.00 0.00 177.10 177.77