#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z4o s GLN 2 N 0.00 3.38 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.72 2z4o s GLN 2 Ca 0.00 -0.65 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 2z4o s GLN 2 Cb 0.00 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 2z4o s GLN 2 CO 0.00 -0.28 0.03 0.42 -0.55 0.00 0.00 175.29 174.91 2z4o s ILE 3 N 1.53 3.90 0.84 -2.34 1.01 -1.26 -5.09 121.20 119.79 2z4o s ILE 3 Ca 0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2z4o s ILE 3 Cb -0.16 -2.83 0.12 0.00 0.01 0.00 0.00 42.46 39.61 2z4o s ILE 3 CO 0.01 0.35 1.19 0.42 0.00 0.00 0.00 174.94 176.91 2z4o s THR 4 N 1.55 2.05 -0.14 2.92 -4.23 -1.26 -4.99 115.64 111.54 2z4o s THR 4 Ca 0.06 -0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.68 2z4o s THR 4 Cb -0.15 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.02 2z4o s THR 4 CO 0.01 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.44 2z4o n LEU 5 N -3.39 2.47 -0.00 4.79 4.77 -1.26 -4.51 117.00 119.87 2z4o n LEU 5 Ca 0.11 -3.13 0.07 0.00 -0.03 0.00 0.00 56.01 53.03 2z4o n LEU 5 Cb 0.60 -0.44 0.48 0.00 -2.33 0.00 0.00 43.42 41.73 2z4o n LEU 5 CO 0.52 0.75 1.16 -0.50 -1.33 0.00 0.00 177.39 177.99 2z4o h TRP 6 N 0.16 0.43 -2.40 -1.77 4.06 -2.06 -3.44 115.95 110.94 2z4o h TRP 6 Ca 0.00 0.01 -0.55 0.00 2.06 0.00 0.00 58.89 60.41 2z4o h TRP 6 Cb 1.03 -0.14 -0.13 0.00 -1.00 0.00 0.00 29.16 28.91 2z4o h TRP 6 CO 0.07 0.25 -0.54 -1.59 -3.56 0.00 0.00 178.44 173.07 2z4o s LYS 7 N -5.41 1.89 0.25 0.49 -2.85 -1.26 -5.10 119.74 107.74 2z4o s LYS 7 Ca -0.08 -2.14 -0.31 0.00 -1.00 0.00 0.00 55.97 52.45 2z4o s LYS 7 Cb 0.18 -0.80 -0.11 0.00 -2.06 0.00 0.00 37.83 35.04 2z4o s LYS 7 CO 0.73 -0.39 1.62 1.03 0.10 0.00 0.00 175.35 178.45 2z4o s ARG 8 N -3.78 4.14 -1.35 1.78 0.52 -1.26 -4.86 118.95 114.14 2z4o s ARG 8 Ca 0.25 2.54 -0.15 0.00 -0.52 0.00 0.00 55.73 57.85 2z4o s ARG 8 Cb 0.04 -3.06 0.08 0.00 0.52 0.00 0.00 34.95 32.53 2z4o s ARG 8 CO 0.13 -0.65 1.92 -0.35 0.02 0.00 0.00 175.30 176.37 2z4o n PRO 9 N 3.00 3.12 -3.08 3.54 -0.04 -1.26 -4.95 135.00 135.33 2z4o n PRO 9 Ca 0.11 -3.09 -0.39 0.00 -0.04 0.00 0.00 63.50 60.09 2z4o n PRO 9 Cb 0.37 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 2z4o n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2z4o s LEU 10 N 2.71 4.54 0.12 1.53 1.43 -1.26 -0.79 118.68 126.96 2z4o s LEU 10 Ca 0.49 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 55.09 2z4o s LEU 10 Cb 0.08 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2z4o s LEU 10 CO -0.00 0.20 0.05 0.68 0.23 0.00 0.00 176.35 177.51 2z4o s VAL 11 N -1.20 0.11 0.01 -1.59 -7.23 0.11 -4.94 120.40 105.67 2z4o s VAL 11 Ca 0.35 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.40 2z4o s VAL 11 Cb -0.21 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2z4o s VAL 11 CO 0.24 -0.51 0.65 -0.89 -0.31 0.00 0.00 175.10 174.28 2z4o s THR 12 N -4.04 4.85 0.20 5.32 2.01 -1.26 -0.49 115.64 122.23 2z4o s THR 12 Ca 0.23 1.37 0.10 0.00 0.31 0.00 0.00 61.69 63.70 2z4o s THR 12 Cb 0.07 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2z4o s THR 12 CO 0.01 0.40 -0.20 0.27 -0.69 0.00 0.00 174.62 174.41 2z4o s ILE 13 N -0.13 2.09 -0.15 1.82 -4.36 0.13 -1.61 121.20 118.99 2z4o s ILE 13 Ca 0.34 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 2z4o s ILE 13 Cb -0.19 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.50 2z4o s ILE 13 CO 0.19 -0.30 -0.20 -0.75 0.24 0.00 0.00 174.94 174.12 2z4o s LYS 14 N -2.97 3.07 -0.10 0.37 2.20 0.10 -0.97 119.74 121.44 2z4o s LYS 14 Ca 0.20 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 54.95 2z4o s LYS 14 Cb -0.06 -2.52 0.05 0.00 -1.51 0.00 0.00 37.83 33.79 2z4o s LYS 14 CO 0.09 -0.05 0.22 -1.50 -0.36 0.00 0.00 175.35 173.75 2z4o s ILE 15 N 0.92 -0.08 -1.59 5.43 2.07 -0.26 -1.24 121.20 126.44 2z4o s ILE 15 Ca -0.04 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 2z4o s ILE 15 Cb -0.15 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.09 2z4o s ILE 15 CO -0.04 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 2z4o n GLY 16 N 4.37 0.53 2.10 1.50 0.00 -1.26 -1.01 105.19 111.41 2z4o n GLY 16 Ca -0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 2z4o n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2z4o n GLY 17 N -0.97 0.46 3.42 -0.02 0.00 -1.26 -5.03 105.19 101.79 2z4o n GLY 17 Ca -0.19 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2z4o n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2z4o s GLN 18 N -0.40 2.31 -0.06 1.61 -0.21 -0.18 -5.11 119.66 117.62 2z4o s GLN 18 Ca 0.00 -0.81 -0.20 0.00 0.02 0.00 0.00 55.36 54.37 2z4o s GLN 18 Cb 0.00 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 2z4o s GLN 18 CO 0.00 0.59 0.57 -0.51 -2.12 0.00 0.00 175.29 173.82 2z4o s LEU 19 N -0.80 4.34 0.05 2.90 1.43 -1.26 -1.10 118.68 124.25 2z4o s LEU 19 Ca 0.11 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2z4o s LEU 19 Cb -0.10 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2z4o s LEU 19 CO 0.01 0.02 -0.03 -0.54 0.23 0.00 0.00 176.35 176.03 2z4o s LYS 20 N 0.33 0.61 -0.10 1.70 1.02 -0.14 -4.99 119.74 118.17 2z4o s LYS 20 Ca 0.31 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 54.99 2z4o s LYS 20 Cb -0.17 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.24 2z4o s LYS 20 CO 0.15 -0.09 0.28 -2.00 -0.92 0.00 0.00 175.35 172.77 2z4o s GLU 21 N -3.71 3.91 0.04 1.68 2.12 -1.26 0.19 118.70 121.68 2z4o s GLU 21 Ca 0.06 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.45 2z4o s GLU 21 Cb 0.06 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 2z4o s GLU 21 CO -0.09 0.54 0.12 0.00 -0.54 0.00 0.00 175.26 175.29 2z4o s ALA 22 N -0.46 -0.13 -0.18 6.30 0.00 0.36 -4.48 121.76 123.18 2z4o s ALA 22 Ca 0.18 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 2z4o s ALA 22 Cb -0.14 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2z4o s ALA 22 CO 0.07 -0.35 0.53 -1.17 0.00 0.00 0.00 175.76 174.84 2z4o s LEU 23 N -2.20 4.18 -0.46 0.00 2.96 0.04 0.04 118.68 123.23 2z4o s LEU 23 Ca -0.04 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 2z4o s LEU 23 Cb -0.00 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2z4o s LEU 23 CO -0.05 -0.15 1.35 -0.76 -1.32 0.00 0.00 176.35 175.42 2z4o s LEU 24 N 1.42 3.56 -0.35 -0.68 1.43 0.03 -0.70 118.68 123.38 2z4o s LEU 24 Ca 0.26 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 2z4o s LEU 24 Cb -0.15 -3.45 0.10 0.00 0.03 0.00 0.00 46.19 42.72 2z4o s LEU 24 CO 0.10 -1.45 0.09 -0.62 0.23 0.00 0.00 176.35 174.70 2z4o s ASP 25 N 3.68 4.51 0.46 2.29 -1.08 -0.04 -4.80 116.67 121.68 2z4o s ASP 25 Ca 0.56 -2.12 0.31 0.00 -0.52 0.00 0.00 52.55 50.79 2z4o s ASP 25 Cb -0.11 -1.42 1.39 0.00 -1.46 0.00 0.00 42.92 41.31 2z4o s ASP 25 CO 0.31 -0.37 1.93 0.71 0.52 0.00 0.00 175.17 178.27 2z4o h THR 26 N 6.44 0.00 -0.00 1.71 1.35 -1.94 -2.34 112.91 118.13 2z4o h THR 26 Ca -0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2z4o h THR 26 Cb 1.00 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2z4o h THR 26 CO 0.52 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.31 2z4o n GLY 27 N -0.24 -0.98 3.57 5.82 0.00 -1.26 -4.78 105.19 107.31 2z4o n GLY 27 Ca 0.00 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2z4o n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2z4o s ALA 28 N -2.46 3.51 0.25 4.61 0.00 -0.88 -4.97 121.76 121.82 2z4o s ALA 28 Ca 0.30 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 2z4o s ALA 28 Cb 0.20 -2.52 0.31 0.00 0.00 0.00 0.00 23.12 21.11 2z4o s ALA 28 CO 0.46 -0.67 1.76 -0.44 0.00 0.00 0.00 175.76 176.87 2z4o h ASP 29 N 8.40 0.81 -2.23 0.00 3.32 -1.86 0.23 116.42 125.09 2z4o h ASP 29 Ca -0.34 -0.18 -0.60 0.00 0.02 0.00 0.00 57.03 55.93 2z4o h ASP 29 Cb 1.18 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 2z4o h ASP 29 CO 0.58 0.85 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.40 2z4o s ASP 30 N -6.61 3.83 -0.15 6.45 1.01 -1.26 -2.49 116.67 117.46 2z4o s ASP 30 Ca -0.10 -0.93 -0.19 0.00 0.71 0.00 0.00 52.55 52.04 2z4o s ASP 30 Cb 0.15 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 2z4o s ASP 30 CO 0.82 0.03 0.53 -0.89 0.21 0.00 0.00 175.17 175.86 2z4o s THR 31 N -2.44 5.13 -0.10 -1.27 2.01 -1.26 -3.41 115.64 114.30 2z4o s THR 31 Ca 0.30 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 63.32 2z4o s THR 31 Cb -0.05 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.62 2z4o s THR 31 CO 0.16 0.25 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.60 2z4o s VAL 32 N 1.11 0.82 0.06 3.82 1.01 0.17 -0.86 120.40 126.53 2z4o s VAL 32 Ca 0.27 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2z4o s VAL 32 Cb -0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2z4o s VAL 32 CO 0.11 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.71 2z4o s ILE 33 N 1.75 2.67 0.95 2.22 -1.09 0.35 -0.30 121.20 127.75 2z4o s ILE 33 Ca 0.04 -1.32 -0.10 0.00 -2.23 0.00 0.00 60.65 57.04 2z4o s ILE 33 Cb -0.13 -2.14 0.16 0.00 -1.58 0.00 0.00 42.46 38.78 2z4o s ILE 33 CO -0.07 0.28 1.14 -1.83 -1.23 0.00 0.00 174.94 173.23 2z4o s GLU 34 N -1.59 0.76 0.06 2.79 -1.05 -1.25 -1.47 118.70 116.95 2z4o s GLU 34 Ca 0.15 1.50 -0.36 0.00 -0.15 0.00 0.00 54.97 56.10 2z4o s GLU 34 Cb -0.10 -1.70 -0.16 0.00 -0.44 0.00 0.00 34.13 31.72 2z4o s GLU 34 CO 0.06 -2.79 1.43 0.39 0.95 0.00 0.00 175.26 175.30 2z4o n GLU 35 N -4.34 1.35 -3.54 -4.83 -0.58 -1.21 -4.56 120.64 102.93 2z4o n GLU 35 Ca 0.11 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 57.24 2z4o n GLU 35 Cb 0.52 -2.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.21 2z4o n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2z4o s MET 36 N 0.92 1.31 0.17 3.49 0.23 -1.26 -5.03 119.30 119.12 2z4o s MET 36 Ca 0.85 -0.56 -0.24 0.00 -1.03 0.00 0.00 55.69 54.71 2z4o s MET 36 Cb -0.91 0.55 -0.08 0.00 -1.53 0.00 0.00 34.83 32.86 2z4o s MET 36 CO 0.47 -0.58 0.76 -1.12 -2.03 0.00 0.00 175.02 172.52 2z4o s SER 37 N -2.75 7.34 0.05 -1.18 0.01 -1.26 -5.02 113.70 110.89 2z4o s SER 37 Ca 0.04 1.61 0.03 0.00 1.31 0.00 0.00 55.95 58.94 2z4o s SER 37 Cb -0.02 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2z4o s SER 37 CO -0.08 0.19 -0.10 -0.76 0.41 0.00 0.00 173.24 172.91 2z4o s LEU 38 N -1.25 2.25 0.60 2.44 1.43 -1.26 -4.90 118.68 117.99 2z4o s LEU 38 Ca 0.36 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 2z4o s LEU 38 Cb -0.22 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2z4o s LEU 38 CO 0.25 -0.16 1.03 -2.16 0.23 0.00 0.00 176.35 175.54 2z4o s PRO 39 N -1.58 3.55 0.43 1.29 0.04 -1.26 -4.94 135.00 132.53 2z4o s PRO 39 Ca -0.07 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2z4o s PRO 39 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2z4o s PRO 39 CO 0.01 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2z4o n GLY 40 N -2.09 -1.85 3.85 0.56 0.00 -1.26 -4.98 105.19 99.43 2z4o n GLY 40 Ca 0.07 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2z4o n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2z4o s ARG 41 N 0.00 3.89 0.17 1.61 0.52 -1.26 -5.08 118.95 118.80 2z4o s ARG 41 Ca 0.00 0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 56.00 2z4o s ARG 41 Cb 0.00 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 2z4o s ARG 41 CO 0.00 -0.28 0.28 1.67 0.02 0.00 0.00 175.30 177.00 2z4o s TRP 42 N -2.66 0.41 0.02 -0.53 1.48 -1.26 -4.39 118.94 112.01 2z4o s TRP 42 Ca 0.58 -0.77 -0.03 0.00 -1.06 0.00 0.00 56.10 54.81 2z4o s TRP 42 Cb -0.10 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.13 2z4o s TRP 42 CO 0.34 -0.72 0.03 -1.59 -4.06 0.00 0.00 176.95 170.95 2z4o s LYS 43 N -3.97 0.45 0.55 3.25 -2.85 -0.71 -4.91 119.74 111.55 2z4o s LYS 43 Ca 0.18 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 54.29 2z4o s LYS 43 Cb 0.03 0.17 -0.06 0.00 -2.06 0.00 0.00 37.83 35.92 2z4o s LYS 43 CO 0.00 -0.09 1.05 -1.25 0.10 0.00 0.00 175.35 175.16 2z4o s PRO 44 N -2.02 3.52 -0.00 1.78 0.04 -1.26 -0.23 135.00 136.82 2z4o s PRO 44 Ca -0.10 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 2z4o s PRO 44 Cb -0.05 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2z4o s PRO 44 CO -0.02 -0.66 0.32 0.21 0.04 0.00 0.00 177.00 176.89 2z4o s LYS 45 N -3.73 0.71 -0.13 4.56 2.20 -0.36 -4.84 119.74 118.15 2z4o s LYS 45 Ca 0.65 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.99 2z4o s LYS 45 Cb -0.16 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 2z4o s LYS 45 CO 0.30 -0.21 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.37 2z4o s MET 46 N -1.62 3.35 0.03 4.03 -1.94 -1.26 -0.33 119.30 121.56 2z4o s MET 46 Ca -0.11 -0.59 0.06 0.00 -1.71 0.00 0.00 55.69 53.33 2z4o s MET 46 Cb -0.04 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 2z4o s MET 46 CO 0.03 0.33 -0.16 0.96 -0.01 0.00 0.00 175.02 176.16 2z4o s ILE 47 N 0.08 1.31 0.08 2.53 -4.36 -0.73 -4.97 121.20 115.15 2z4o s ILE 47 Ca -0.03 -1.02 0.08 0.00 -0.26 0.00 0.00 60.65 59.42 2z4o s ILE 47 Cb -0.14 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 2z4o s ILE 47 CO 0.03 0.12 -0.20 -0.83 0.24 0.00 0.00 174.94 174.30 2z4o s GLY 48 N -1.05 1.19 0.00 6.27 0.00 -1.26 -0.67 107.32 111.80 2z4o s GLY 48 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2z4o s GLY 48 CO 0.01 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.56 2z4o n GLY 49 N 1.31 3.83 0.14 0.20 0.00 0.21 -4.97 105.19 105.91 2z4o n GLY 49 Ca -0.19 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 2z4o n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2z4o h ILE 50 N 0.00 0.70 -0.39 -0.61 2.04 -2.04 -1.85 117.51 115.36 2z4o h ILE 50 Ca 0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2z4o h ILE 50 Cb 0.00 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2z4o h ILE 50 CO 0.00 0.00 0.01 0.61 0.00 0.00 0.00 178.15 178.77 2z4o n GLY 51 N -1.26 2.51 0.00 5.37 0.00 -1.26 -5.04 105.19 105.51 2z4o n GLY 51 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2z4o n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2z4o n GLY 52 N 0.39 -0.43 3.68 -0.02 0.00 -0.70 -5.06 105.19 103.06 2z4o n GLY 52 Ca 0.19 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 2z4o n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2z4o s PHE 53 N 0.00 2.93 0.12 1.61 0.40 -1.26 -0.62 117.98 121.16 2z4o s PHE 53 Ca 0.00 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.33 2z4o s PHE 53 Cb 0.00 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 2z4o s PHE 53 CO 0.00 0.49 -0.20 0.96 0.70 0.00 0.00 175.22 177.17 2z4o s ILE 54 N -1.52 1.76 0.01 0.64 -4.36 0.15 -4.97 121.20 112.92 2z4o s ILE 54 Ca 0.27 -1.66 -0.23 0.00 -0.26 0.00 0.00 60.65 58.77 2z4o s ILE 54 Cb -0.10 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 2z4o s ILE 54 CO 0.19 -0.13 0.68 -0.75 0.24 0.00 0.00 174.94 175.17 2z4o s LYS 55 N -2.17 4.41 0.21 0.37 2.20 -1.26 -1.77 119.74 121.73 2z4o s LYS 55 Ca 0.09 0.90 0.04 0.00 -0.36 0.00 0.00 55.97 56.64 2z4o s LYS 55 Cb -0.09 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2z4o s LYS 55 CO 0.05 0.29 -0.04 0.14 -0.36 0.00 0.00 175.35 175.43 2z4o s VAL 56 N 0.01 1.10 -0.21 4.02 -7.23 0.55 -4.41 120.40 114.23 2z4o s VAL 56 Ca 0.35 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 2z4o s VAL 56 Cb -0.19 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 2z4o s VAL 56 CO 0.20 -0.45 0.11 -0.13 -0.31 0.00 0.00 175.10 174.52 2z4o s ARG 57 N -3.82 4.05 -0.39 4.82 0.52 0.55 -1.23 118.95 123.45 2z4o s ARG 57 Ca 0.25 -0.29 -0.17 0.00 -0.52 0.00 0.00 55.73 55.00 2z4o s ARG 57 Cb 0.05 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 32.14 2z4o s ARG 57 CO 0.06 0.18 0.43 -1.14 0.02 0.00 0.00 175.30 174.85 2z4o s GLN 58 N 0.68 3.31 -0.19 3.54 0.74 0.68 -0.74 119.66 127.67 2z4o s GLN 58 Ca 0.06 -0.57 -0.07 0.00 0.05 0.00 0.00 55.36 54.84 2z4o s GLN 58 Cb -0.13 -3.90 -0.03 0.00 1.10 0.00 0.00 33.01 30.05 2z4o s GLN 58 CO 0.01 -0.73 0.04 0.71 -0.55 0.00 0.00 175.29 174.77 2z4o s TYR 59 N 2.16 3.16 0.27 1.67 1.51 -0.41 -1.73 117.35 123.97 2z4o s TYR 59 Ca 0.13 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.12 2z4o s TYR 59 Cb -0.17 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 2z4o s TYR 59 CO 0.13 -0.02 0.39 -0.51 -1.11 0.00 0.00 175.55 174.44 2z4o s ASP 60 N 0.68 6.18 -1.30 2.29 1.01 -1.26 -0.89 116.67 123.38 2z4o s ASP 60 Ca 0.02 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 2z4o s ASP 60 Cb -0.13 -1.63 -0.00 0.00 1.01 0.00 0.00 42.92 42.16 2z4o s ASP 60 CO 0.02 -0.19 0.66 0.00 0.21 0.00 0.00 175.17 175.87 2z4o n GLN 61 N -1.48 -4.22 -3.78 8.23 6.02 -1.15 -4.90 117.38 116.10 2z4o n GLN 61 Ca -0.06 0.58 -0.35 0.00 -0.01 0.00 0.00 57.00 57.15 2z4o n GLN 61 Cb 0.57 -5.00 -0.08 0.00 1.02 0.00 0.00 30.24 26.76 2z4o n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2z4o s ILE 62 N -3.70 5.36 0.01 5.09 -1.09 0.23 -4.83 121.20 122.29 2z4o s ILE 62 Ca 0.06 0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 58.44 2z4o s ILE 62 Cb -0.02 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.38 2z4o s ILE 62 CO 0.83 0.47 0.59 -0.63 -1.23 0.00 0.00 174.94 174.97 2z4o s ILE 63 N 0.14 4.86 0.03 2.92 1.01 -1.26 -1.31 121.20 127.58 2z4o s ILE 63 Ca 0.09 1.25 0.04 0.00 0.00 0.00 0.00 60.65 62.03 2z4o s ILE 63 Cb -0.11 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2z4o s ILE 63 CO -0.01 0.45 -0.12 -0.63 0.00 0.00 0.00 174.94 174.63 2z4o s ILE 64 N -0.39 0.95 -0.27 2.92 1.01 0.61 -4.55 121.20 121.48 2z4o s ILE 64 Ca 0.31 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 2z4o s ILE 64 Cb -0.19 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2z4o s ILE 64 CO 0.18 0.03 0.12 -0.70 0.00 0.00 0.00 174.94 174.57 2z4o s GLU 65 N -0.91 3.63 -0.25 2.79 2.12 -0.37 -0.64 118.70 125.06 2z4o s GLU 65 Ca 0.01 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2z4o s GLU 65 Cb -0.07 -3.47 0.05 0.00 0.26 0.00 0.00 34.13 30.90 2z4o s GLU 65 CO 0.01 -0.25 -0.09 0.42 -0.54 0.00 0.00 175.26 174.80 2z4o s ILE 66 N 1.65 2.43 -1.63 -3.70 1.01 0.21 -0.72 121.20 120.45 2z4o s ILE 66 Ca 0.06 -1.39 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 2z4o s ILE 66 Cb -0.16 -2.34 0.11 0.00 0.01 0.00 0.00 42.46 40.08 2z4o s ILE 66 CO 0.06 0.07 0.59 0.00 0.00 0.00 0.00 174.94 175.66 2z4o n ALA 67 N 4.53 -1.52 -0.77 9.38 0.00 -0.63 0.45 120.51 131.95 2z4o n ALA 67 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2z4o n ALA 67 Cb 0.44 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2z4o n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2z4o n GLY 68 N -1.64 0.82 3.40 0.00 0.00 -1.26 -5.03 105.19 101.48 2z4o n GLY 68 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2z4o n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2z4o s HIS 69 N -3.18 2.99 0.16 1.61 4.02 0.17 -5.08 115.29 115.98 2z4o s HIS 69 Ca 0.00 -0.61 -0.30 0.00 1.02 0.00 0.00 55.06 55.17 2z4o s HIS 69 Cb 0.00 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.58 29.43 2z4o s HIS 69 CO 0.00 -0.31 0.95 0.15 1.02 0.00 0.00 174.74 176.55 2z4o s LYS 70 N 1.03 4.75 0.04 1.40 1.02 -1.26 0.68 119.74 127.41 2z4o s LYS 70 Ca 0.01 1.46 -0.06 0.00 0.02 0.00 0.00 55.97 57.40 2z4o s LYS 70 Cb -0.15 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2z4o s LYS 70 CO 0.01 0.32 0.12 0.00 -0.92 0.00 0.00 175.35 174.88 2z4o s ALA 71 N -0.41 -0.11 0.03 5.17 0.00 0.18 -4.83 121.76 121.78 2z4o s ALA 71 Ca 0.45 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.94 2z4o s ALA 71 Cb -0.24 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2z4o s ALA 71 CO 0.31 -0.34 -0.17 -1.50 0.00 0.00 0.00 175.76 174.05 2z4o s ILE 72 N -2.74 1.38 -1.06 0.00 2.07 -1.26 -0.28 121.20 119.30 2z4o s ILE 72 Ca -0.04 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 2z4o s ILE 72 Cb -0.00 -1.20 0.00 0.00 0.13 0.00 0.00 42.46 41.38 2z4o s ILE 72 CO -0.05 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 2z4o n GLY 73 N 2.05 -1.13 3.75 1.50 0.00 -0.43 -4.92 105.19 106.01 2z4o n GLY 73 Ca -0.17 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 2z4o n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2z4o s THR 74 N -3.00 4.34 -0.07 2.61 2.01 -1.26 -0.60 115.64 119.67 2z4o s THR 74 Ca 0.00 1.92 0.02 0.00 0.31 0.00 0.00 61.69 63.94 2z4o s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2z4o s THR 74 CO 0.00 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.56 2z4o s VAL 75 N -0.74 1.14 -0.12 3.82 1.01 -0.06 -4.48 120.40 120.96 2z4o s VAL 75 Ca 0.41 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 2z4o s VAL 75 Cb -0.24 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2z4o s VAL 75 CO 0.29 0.36 0.27 -0.76 0.00 0.00 0.00 175.10 175.26 2z4o s LEU 76 N 0.69 4.32 -0.12 3.92 1.43 -0.04 -1.29 118.68 127.59 2z4o s LEU 76 Ca -0.14 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2z4o s LEU 76 Cb -0.16 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2z4o s LEU 76 CO 0.03 0.22 -0.20 -0.69 0.23 0.00 0.00 176.35 175.94 2z4o s VAL 77 N -0.17 1.84 -0.39 -1.59 1.01 0.08 -0.49 120.40 120.68 2z4o s VAL 77 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2z4o s VAL 77 Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2z4o s VAL 77 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2z4o n GLY 78 N 3.98 -1.25 2.41 4.51 0.00 -0.54 -0.33 105.19 113.97 2z4o n GLY 78 Ca -0.20 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 2z4o n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2z4o n PRO 79 N -0.00 3.74 -2.89 1.61 -0.04 -1.26 -3.32 135.00 132.84 2z4o n PRO 79 Ca 0.00 -2.49 -0.40 0.00 -0.04 0.00 0.00 63.50 60.57 2z4o n PRO 79 Cb 0.00 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 2z4o n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2z4o s THR 80 N 1.71 4.25 -0.39 0.52 -1.32 -1.26 -4.96 115.64 114.19 2z4o s THR 80 Ca 0.64 1.86 0.26 0.00 -1.21 0.00 0.00 61.69 63.24 2z4o s THR 80 Cb 0.17 -4.22 0.30 0.00 -1.51 0.00 0.00 72.50 67.24 2z4o s THR 80 CO -0.07 0.51 1.78 1.55 -2.21 0.00 0.00 174.62 176.19 2z4o h PRO 81 N 4.25 0.00 -3.63 7.08 0.13 -1.98 -3.43 132.00 134.42 2z4o h PRO 81 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 2z4o h PRO 81 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2z4o h PRO 81 CO 0.67 0.00 -0.66 0.14 -0.23 0.00 0.00 178.00 177.91 2z4o s VAL 82 N -3.35 0.00 0.08 1.56 -7.23 -1.26 -5.10 120.40 105.10 2z4o s VAL 82 Ca 0.05 -0.04 -0.31 0.00 -1.81 0.00 0.00 61.98 59.88 2z4o s VAL 82 Cb 0.09 -0.08 -0.06 0.00 0.56 0.00 0.00 36.38 36.89 2z4o s VAL 82 CO 0.49 -0.02 1.26 0.20 -0.31 0.00 0.00 175.10 176.72 2z4o s ASN 83 N -0.04 7.00 -0.13 4.85 0.01 -1.26 -4.77 114.94 120.60 2z4o s ASN 83 Ca -0.01 2.12 0.02 0.00 -0.71 0.00 0.00 52.86 54.29 2z4o s ASN 83 Cb -0.01 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2z4o s ASN 83 CO 0.00 -0.53 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.26 2z4o s ILE 84 N 1.03 1.71 -0.39 0.60 1.01 0.59 -0.78 121.20 124.97 2z4o s ILE 84 Ca 0.60 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2z4o s ILE 84 Cb -0.32 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2z4o s ILE 84 CO 0.30 0.48 0.65 -0.63 0.00 0.00 0.00 174.94 175.74 2z4o s ILE 85 N 0.99 4.85 0.59 2.92 -1.09 0.12 -0.65 121.20 128.94 2z4o s ILE 85 Ca -0.05 0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.81 2z4o s ILE 85 Cb -0.15 -4.14 0.11 0.00 -1.58 0.00 0.00 42.46 36.70 2z4o s ILE 85 CO -0.03 -0.44 0.82 0.61 -1.23 0.00 0.00 174.94 174.66 2z4o n GLY 86 N 4.83 1.37 0.27 6.18 0.00 -1.22 -0.86 105.19 115.76 2z4o n GLY 86 Ca -0.01 -2.13 0.06 0.00 0.00 0.00 0.00 46.02 43.93 2z4o n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2z4o h ARG 87 N 0.00 0.22 -0.25 1.61 3.08 -0.51 -0.59 114.38 117.95 2z4o h ARG 87 Ca -0.27 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.83 2z4o h ARG 87 Cb 1.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2z4o h ARG 87 CO 0.34 0.18 0.22 -2.95 -1.07 0.00 0.00 179.97 176.70 2z4o h ASN 88 N 0.23 0.00 0.00 7.04 -1.07 -1.74 -1.85 115.58 118.18 2z4o h ASN 88 Ca 0.06 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.27 2z4o h ASN 88 Cb 0.04 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.25 2z4o h ASN 88 CO -0.01 0.00 -1.80 0.18 0.07 0.00 0.00 177.43 175.88 2z4o n LEU 89 N -4.03 0.00 0.02 6.14 4.77 -0.54 -4.44 117.00 118.92 2z4o n LEU 89 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2z4o n LEU 89 Cb 0.37 0.22 0.43 0.00 -2.33 0.00 0.00 43.42 42.10 2z4o n LEU 89 CO 0.31 0.22 1.12 -0.07 -1.33 0.00 0.00 177.39 177.64 2z4o h LEU 90 N 0.00 0.43 -1.00 2.23 3.38 -0.72 -1.44 115.31 118.20 2z4o h LEU 90 Ca -0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2z4o h LEU 90 Cb 1.44 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2z4o h LEU 90 CO 0.01 0.34 0.38 0.71 0.09 0.00 0.00 178.44 179.98 2z4o h THR 91 N 0.50 1.24 0.00 0.22 1.35 -1.57 -1.03 112.91 113.61 2z4o h THR 91 Ca 0.13 -0.65 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 2z4o h THR 91 Cb -0.01 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 2z4o h THR 91 CO -0.02 0.28 -0.24 1.56 -0.25 0.00 0.00 175.52 176.85 2z4o h GLN 92 N 1.09 0.00 -0.33 4.72 1.08 -1.48 -0.91 115.11 119.29 2z4o h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2z4o h GLN 92 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2z4o h GLN 92 CO -0.04 0.24 0.00 0.44 -0.95 0.00 0.00 178.83 178.52 2z4o n ILE 93 N -3.39 0.43 -2.21 2.54 -5.35 -1.09 -4.95 119.36 105.34 2z4o n ILE 93 Ca 0.00 -0.56 -0.07 0.00 -0.27 0.00 0.00 62.75 61.86 2z4o n ILE 93 Cb 0.44 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 2z4o n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2z4o n GLY 94 N 1.29 0.15 3.73 3.28 0.00 -0.35 -5.00 105.19 108.30 2z4o n GLY 94 Ca 0.17 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2z4o n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2z4o s ALA 95 N -2.41 3.28 0.12 4.61 0.00 -0.41 -5.03 121.76 121.91 2z4o s ALA 95 Ca 0.02 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.66 2z4o s ALA 95 Cb -0.01 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2z4o s ALA 95 CO 0.03 -0.02 -0.12 0.95 0.00 0.00 0.00 175.76 176.60 2z4o s THR 96 N -0.26 1.17 -0.17 0.00 -4.23 -1.26 -4.70 115.64 106.20 2z4o s THR 96 Ca 0.46 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 59.06 2z4o s THR 96 Cb -0.25 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 2z4o s THR 96 CO 0.31 -0.53 0.38 -0.76 -0.54 0.00 0.00 174.62 173.49 2z4o s LEU 97 N -2.59 4.21 -0.03 4.79 1.43 -1.26 -5.09 118.68 120.14 2z4o s LEU 97 Ca 0.09 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2z4o s LEU 97 Cb -0.03 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.69 2z4o s LEU 97 CO 0.02 -0.00 -0.09 0.20 0.23 0.00 0.00 176.35 176.71 2z4o s ASN 98 N 0.76 1.25 0.00 2.29 0.01 -1.26 -5.30 114.94 112.69 2z4o s ASN 98 Ca 0.20 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 2z4o s ASN 98 Cb -0.14 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.12 2z4o s ASN 98 CO 0.07 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.93