#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zpk s GLN 2 N 0.00 3.03 -0.13 0.54 0.74 -1.26 -5.10 119.66 117.48 1zpk s GLN 2 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1zpk s GLN 2 Cb 0.00 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.31 1zpk s GLN 2 CO 0.00 0.69 -0.13 0.42 -0.55 0.00 0.00 175.29 175.72 1zpk s ILE 3 N -0.84 1.46 0.93 -2.34 1.01 -1.26 -5.14 121.20 115.02 1zpk s ILE 3 Ca 0.13 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1zpk s ILE 3 Cb -0.11 -1.38 0.18 0.00 0.01 0.00 0.00 42.46 41.16 1zpk s ILE 3 CO 0.02 0.44 1.29 0.42 0.00 0.00 0.00 174.94 177.11 1zpk s THR 4 N 1.43 2.01 -0.12 2.92 -4.23 -1.26 -5.02 115.64 111.36 1zpk s THR 4 Ca 0.03 -0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.67 1zpk s THR 4 Cb -0.13 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1zpk s THR 4 CO -0.09 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.32 1zpk n LEU 5 N -3.66 2.07 0.22 4.79 4.77 -1.26 -4.61 117.00 119.31 1zpk n LEU 5 Ca 0.14 -2.94 0.06 0.00 -0.03 0.00 0.00 56.01 53.24 1zpk n LEU 5 Cb 0.60 -0.38 0.50 0.00 -2.33 0.00 0.00 43.42 41.80 1zpk n LEU 5 CO 0.48 0.78 0.84 -0.50 -1.33 0.00 0.00 177.39 177.66 1zpk h TRP 6 N 0.24 0.00 -2.35 -1.77 4.06 -2.07 -3.43 115.95 110.64 1zpk h TRP 6 Ca -0.01 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 1zpk h TRP 6 Cb 1.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 1zpk h TRP 6 CO 0.17 0.25 -0.76 -0.65 -3.56 0.00 0.00 178.44 173.88 1zpk s GLN 7 N -4.29 1.69 0.28 0.49 -1.52 -1.26 -5.11 119.66 109.94 1zpk s GLN 7 Ca -0.03 -1.72 -0.30 0.00 -1.95 0.00 0.00 55.36 51.36 1zpk s GLN 7 Cb 0.14 -1.80 -0.12 0.00 -0.22 0.00 0.00 33.01 31.02 1zpk s GLN 7 CO 0.68 0.34 1.63 1.03 -0.25 0.00 0.00 175.29 178.72 1zpk s ARG 8 N -3.40 4.11 -1.29 2.91 0.52 -1.26 -4.86 118.95 115.68 1zpk s ARG 8 Ca 0.29 2.61 -0.18 0.00 -0.52 0.00 0.00 55.73 57.93 1zpk s ARG 8 Cb -0.05 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.41 1zpk s ARG 8 CO 0.15 -0.67 1.92 -0.35 0.02 0.00 0.00 175.30 176.36 1zpk n PRO 9 N 2.48 2.74 -3.37 3.54 -0.04 -1.26 -4.94 135.00 134.15 1zpk n PRO 9 Ca 0.10 -2.86 -0.38 0.00 -0.04 0.00 0.00 63.50 60.31 1zpk n PRO 9 Cb 0.37 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 1zpk n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1zpk s LEU 10 N 4.32 4.45 0.12 1.53 1.43 -1.26 -1.21 118.68 128.05 1zpk s LEU 10 Ca 0.54 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1zpk s LEU 10 Cb 0.07 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1zpk s LEU 10 CO 0.04 0.23 -0.09 0.68 0.23 0.00 0.00 176.35 177.44 1zpk s VAL 11 N -0.68 0.93 -0.00 -1.59 -7.23 0.62 -4.95 120.40 107.49 1zpk s VAL 11 Ca 0.26 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 1zpk s VAL 11 Cb -0.17 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1zpk s VAL 11 CO 0.15 -0.75 0.57 -0.89 -0.31 0.00 0.00 175.10 173.87 1zpk s THR 12 N -3.22 4.91 0.17 5.32 2.01 -1.26 -0.58 115.64 122.98 1zpk s THR 12 Ca 0.12 1.20 0.07 0.00 0.31 0.00 0.00 61.69 63.40 1zpk s THR 12 Cb 0.02 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1zpk s THR 12 CO -0.02 0.44 -0.15 0.27 -0.69 0.00 0.00 174.62 174.47 1zpk s ILE 13 N -0.29 1.62 -0.15 1.82 -4.36 0.52 -4.61 121.20 115.76 1zpk s ILE 13 Ca 0.30 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1zpk s ILE 13 Cb -0.18 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.72 1zpk s ILE 13 CO 0.17 -0.46 -0.17 -0.75 0.24 0.00 0.00 174.94 173.97 1zpk s LYS 14 N -3.11 2.52 -0.13 0.37 2.20 -0.58 -1.10 119.74 119.92 1zpk s LYS 14 Ca 0.16 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 55.02 1zpk s LYS 14 Cb -0.03 -2.20 0.04 0.00 -1.51 0.00 0.00 37.83 34.13 1zpk s LYS 14 CO 0.05 -0.16 0.32 -1.50 -0.36 0.00 0.00 175.35 173.70 1zpk s ILE 15 N 1.25 -0.02 -1.33 5.43 2.07 -0.33 -0.64 121.20 127.64 1zpk s ILE 15 Ca 0.01 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.26 1zpk s ILE 15 Cb -0.14 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.01 1zpk s ILE 15 CO -0.08 0.02 0.30 0.61 -1.91 0.00 0.00 174.94 173.89 1zpk n GLY 16 N 3.54 -0.50 3.02 1.50 0.00 -1.26 -0.93 105.19 110.56 1zpk n GLY 16 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1zpk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zpk n GLY 17 N -1.12 1.05 3.62 -0.02 0.00 -1.26 -5.02 105.19 102.44 1zpk n GLY 17 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1zpk n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zpk s GLN 18 N -0.02 2.51 -0.17 1.61 -0.21 -0.10 -5.12 119.66 118.16 1zpk s GLN 18 Ca 0.00 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 1zpk s GLN 18 Cb 0.00 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.47 1zpk s GLN 18 CO 0.00 0.58 0.14 -0.51 -2.12 0.00 0.00 175.29 173.37 1zpk s LEU 19 N -1.76 4.28 0.15 2.90 1.43 -1.26 -1.19 118.68 123.23 1zpk s LEU 19 Ca 0.20 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1zpk s LEU 19 Cb -0.11 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1zpk s LEU 19 CO 0.11 0.26 0.13 -0.54 0.23 0.00 0.00 176.35 176.55 1zpk s LYS 20 N -0.15 1.05 -0.03 1.70 1.02 -0.26 -4.99 119.74 118.08 1zpk s LYS 20 Ca 0.11 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.68 1zpk s LYS 20 Cb -0.11 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1zpk s LYS 20 CO 0.00 -0.33 0.08 -1.21 -0.92 0.00 0.00 175.35 172.97 1zpk s GLU 21 N -4.05 3.10 0.05 1.68 2.02 -1.26 -0.36 118.70 119.88 1zpk s GLU 21 Ca 0.25 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 1zpk s GLU 21 Cb 0.06 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1zpk s GLU 21 CO 0.03 0.67 0.25 0.00 0.02 0.00 0.00 175.26 176.24 1zpk s ALA 22 N -1.13 -0.53 -0.20 5.21 0.00 0.25 -4.51 121.76 120.85 1zpk s ALA 22 Ca 0.21 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1zpk s ALA 22 Cb -0.12 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1zpk s ALA 22 CO 0.11 -0.40 0.37 -1.17 0.00 0.00 0.00 175.76 174.66 1zpk s LEU 23 N -2.15 4.16 -0.35 0.00 2.96 0.14 -0.28 118.68 123.16 1zpk s LEU 23 Ca -0.04 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 1zpk s LEU 23 Cb -0.00 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.23 1zpk s LEU 23 CO -0.04 -0.05 1.23 -0.76 -1.32 0.00 0.00 176.35 175.41 1zpk s LEU 24 N 1.23 3.80 -0.32 -0.68 1.43 -0.35 -0.80 118.68 122.99 1zpk s LEU 24 Ca 0.18 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1zpk s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1zpk s LEU 24 CO 0.07 -1.12 0.05 -0.62 0.23 0.00 0.00 176.35 174.97 1zpk s ASP 25 N 2.61 4.46 0.02 2.29 -1.08 -0.28 -4.78 116.67 119.91 1zpk s ASP 25 Ca 0.53 -1.89 0.17 0.00 -0.52 0.00 0.00 52.55 50.84 1zpk s ASP 25 Cb -0.13 -1.36 0.74 0.00 -1.46 0.00 0.00 42.92 40.71 1zpk s ASP 25 CO 0.24 -0.37 1.55 0.35 0.52 0.00 0.00 175.17 177.46 1zpk n THR 26 N 4.47 0.83 1.27 1.71 -2.24 -1.26 -1.85 114.28 117.22 1zpk n THR 26 Ca 0.00 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1zpk n THR 26 Cb 0.42 -0.93 0.46 0.00 -2.10 0.00 0.00 70.33 68.18 1zpk n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zpk n GLY 27 N 0.24 -0.81 3.57 3.38 0.00 -1.26 -4.82 105.19 105.48 1zpk n GLY 27 Ca 0.04 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1zpk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zpk s ALA 28 N -2.55 3.42 0.23 4.61 0.00 -0.77 -4.98 121.76 121.72 1zpk s ALA 28 Ca 0.24 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1zpk s ALA 28 Cb 0.19 -2.26 0.23 0.00 0.00 0.00 0.00 23.12 21.28 1zpk s ALA 28 CO 0.52 -0.37 1.73 -0.44 0.00 0.00 0.00 175.76 177.20 1zpk h ASP 29 N 7.94 0.90 -1.94 0.00 3.32 -1.87 0.19 116.42 124.97 1zpk h ASP 29 Ca -0.37 -0.22 -0.60 0.00 0.02 0.00 0.00 57.03 55.87 1zpk h ASP 29 Cb 1.18 -0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.37 1zpk h ASP 29 CO 0.60 0.93 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.60 1zpk s ASP 30 N -6.58 4.02 -0.22 6.45 1.01 -1.26 -2.44 116.67 117.65 1zpk s ASP 30 Ca -0.11 -1.06 -0.09 0.00 0.71 0.00 0.00 52.55 52.01 1zpk s ASP 30 Cb 0.15 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1zpk s ASP 30 CO 0.83 -0.22 0.12 -0.89 0.21 0.00 0.00 175.17 175.22 1zpk s THR 31 N -2.55 5.08 -0.11 -1.27 2.01 -1.26 -3.07 115.64 114.47 1zpk s THR 31 Ca 0.34 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1zpk s THR 31 Cb 0.01 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1zpk s THR 31 CO 0.18 0.39 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.76 1zpk s VAL 32 N 0.81 0.88 0.05 3.82 1.01 0.11 -0.56 120.40 126.53 1zpk s VAL 32 Ca 0.06 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1zpk s VAL 32 Cb -0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1zpk s VAL 32 CO 0.02 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 1zpk s LEU 33 N 1.77 2.83 1.04 3.92 1.43 0.13 -0.40 118.68 129.39 1zpk s LEU 33 Ca 0.05 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1zpk s LEU 33 Cb -0.13 -1.65 0.19 0.00 0.03 0.00 0.00 46.19 44.63 1zpk s LEU 33 CO -0.08 0.24 0.95 -0.62 0.23 0.00 0.00 176.35 177.07 1zpk n GLU 34 N 1.29 -1.31 -1.57 1.70 1.02 -1.26 -1.54 120.64 118.97 1zpk n GLU 34 Ca -0.15 -0.34 -0.47 0.00 -0.02 0.00 0.00 57.16 56.18 1zpk n GLU 34 Cb 0.52 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 1zpk n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1zpk n GLU 35 N -4.16 1.15 -3.61 3.49 4.07 -1.21 -4.52 120.64 115.86 1zpk n GLU 35 Ca 0.07 0.41 -0.08 0.00 -0.06 0.00 0.00 57.16 57.50 1zpk n GLU 35 Cb 0.54 -1.82 -0.05 0.00 -0.06 0.00 0.00 31.44 30.05 1zpk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1zpk s MET 36 N -0.89 0.40 0.05 5.31 0.23 -1.26 -5.03 119.30 118.11 1zpk s MET 36 Ca 0.67 0.18 -0.28 0.00 -1.03 0.00 0.00 55.69 55.23 1zpk s MET 36 Cb -0.80 0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 32.64 1zpk s MET 36 CO 0.56 -0.11 0.88 0.45 -2.03 0.00 0.00 175.02 174.77 1zpk s SER 37 N -0.77 7.33 0.05 -1.18 0.15 -1.26 -5.02 113.70 113.00 1zpk s SER 37 Ca 0.02 1.60 0.06 0.00 0.70 0.00 0.00 55.95 58.33 1zpk s SER 37 Cb -0.02 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1zpk s SER 37 CO -0.04 -0.08 -0.16 -0.76 1.20 0.00 0.00 173.24 173.40 1zpk s LEU 38 N 0.25 2.20 0.00 3.45 1.43 -1.26 -4.95 118.68 119.81 1zpk s LEU 38 Ca 0.44 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1zpk s LEU 38 Cb -0.21 -0.71 0.15 0.00 0.03 0.00 0.00 46.19 45.45 1zpk s LEU 38 CO 0.26 0.05 0.95 -0.81 0.23 0.00 0.00 176.35 177.02 1zpk n PRO 39 N 1.69 -0.38 0.00 1.29 -0.05 -1.26 -4.99 135.00 131.29 1zpk n PRO 39 Ca -0.19 -2.11 0.00 0.00 -0.05 0.00 0.00 63.50 61.15 1zpk n PRO 39 Cb 0.54 -0.77 0.00 0.00 -0.05 0.00 0.00 33.50 33.22 1zpk n PRO 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1zpk n GLY 40 N -1.81 -1.86 3.82 0.55 0.00 -1.26 -4.89 105.19 99.74 1zpk n GLY 40 Ca 0.14 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1zpk n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1zpk s ARG 41 N 0.00 3.87 0.05 1.61 3.00 -1.26 -5.08 118.95 121.14 1zpk s ARG 41 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 55.73 56.73 1zpk s ARG 41 Cb 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 34.95 32.86 1zpk s ARG 41 CO 0.00 -0.35 0.36 1.67 0.00 0.00 0.00 175.30 176.98 1zpk s TRP 42 N -2.31 -0.18 -0.02 -0.53 1.48 -1.26 -4.47 118.94 111.66 1zpk s TRP 42 Ca 0.63 0.06 0.06 0.00 -1.06 0.00 0.00 56.10 55.78 1zpk s TRP 42 Cb -0.12 0.16 -0.01 0.00 -1.16 0.00 0.00 33.47 32.33 1zpk s TRP 42 CO 0.24 -0.55 -0.20 0.15 -4.06 0.00 0.00 176.95 172.53 1zpk s LYS 43 N -2.68 1.71 0.48 3.25 -0.14 -0.29 -4.91 119.74 117.16 1zpk s LYS 43 Ca -0.04 -0.71 -0.23 0.00 -1.36 0.00 0.00 55.97 53.63 1zpk s LYS 43 Cb -0.00 -1.60 -0.07 0.00 -1.68 0.00 0.00 37.83 34.48 1zpk s LYS 43 CO -0.04 0.39 1.28 -2.14 -0.76 0.00 0.00 175.35 174.08 1zpk s PRO 44 N -0.35 3.59 0.02 -1.68 0.02 -1.26 -0.85 135.00 134.48 1zpk s PRO 44 Ca 0.05 2.05 -0.17 0.00 0.02 0.00 0.00 61.00 62.95 1zpk s PRO 44 Cb -0.09 -2.45 0.03 0.00 0.02 0.00 0.00 34.50 32.01 1zpk s PRO 44 CO 0.00 -0.77 0.37 0.21 -0.33 0.00 0.00 177.00 176.48 1zpk s LYS 45 N -2.65 0.83 -0.06 5.54 2.20 -0.77 -4.85 119.74 119.98 1zpk s LYS 45 Ca 0.65 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.97 1zpk s LYS 45 Cb -0.36 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1zpk s LYS 45 CO 0.43 -0.27 -0.10 1.41 -0.36 0.00 0.00 175.35 176.47 1zpk s MET 46 N -2.08 2.66 0.07 4.03 1.75 -1.26 0.52 119.30 124.98 1zpk s MET 46 Ca -0.08 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 53.79 1zpk s MET 46 Cb -0.02 -2.51 -0.03 0.00 2.84 0.00 0.00 34.83 35.11 1zpk s MET 46 CO 0.00 0.65 -0.09 0.96 -0.65 0.00 0.00 175.02 175.88 1zpk s ILE 47 N -0.77 0.78 0.29 10.11 -4.36 -0.04 -4.94 121.20 122.27 1zpk s ILE 47 Ca 0.12 -1.39 0.10 0.00 -0.26 0.00 0.00 60.65 59.22 1zpk s ILE 47 Cb -0.11 -1.04 -0.06 0.00 1.25 0.00 0.00 42.46 42.50 1zpk s ILE 47 CO 0.01 -0.47 -0.15 -0.83 0.24 0.00 0.00 174.94 173.75 1zpk s GLY 48 N -2.04 1.94 0.00 6.27 0.00 -1.26 0.31 107.32 112.54 1zpk s GLY 48 Ca -0.01 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1zpk s GLY 48 CO 0.00 -1.96 0.00 0.61 0.00 0.00 0.00 173.10 171.75 1zpk n GLY 49 N -0.65 3.89 0.18 0.20 0.00 -0.04 -4.99 105.19 103.77 1zpk n GLY 49 Ca -0.05 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1zpk n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1zpk h ILE 50 N 0.00 0.71 -0.02 -0.61 3.07 -2.02 -2.78 117.51 115.87 1zpk h ILE 50 Ca 0.00 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.36 1zpk h ILE 50 Cb 0.00 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 37.10 1zpk h ILE 50 CO 0.00 0.03 -0.22 0.61 -1.05 0.00 0.00 178.15 177.52 1zpk n GLY 51 N -1.27 0.20 0.00 0.16 0.00 -1.26 -5.07 105.19 97.95 1zpk n GLY 51 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1zpk n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zpk n GLY 52 N 1.35 0.29 3.39 -0.02 0.00 -1.05 -5.13 105.19 104.02 1zpk n GLY 52 Ca 0.13 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1zpk n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zpk s PHE 53 N -3.71 2.17 0.14 1.61 -0.71 -1.26 -0.86 117.98 115.36 1zpk s PHE 53 Ca 0.00 -0.39 0.04 0.00 -1.04 0.00 0.00 56.93 55.54 1zpk s PHE 53 Cb 0.00 -1.09 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1zpk s PHE 53 CO 0.00 0.43 -0.08 0.96 -1.34 0.00 0.00 175.22 175.19 1zpk s ILE 54 N -1.67 1.04 -0.11 -4.49 -4.36 0.15 -4.93 121.20 106.83 1zpk s ILE 54 Ca 0.18 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.35 1zpk s ILE 54 Cb -0.08 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 1zpk s ILE 54 CO 0.08 -0.74 0.53 -0.54 0.24 0.00 0.00 174.94 174.52 1zpk s LYS 55 N -3.78 4.36 0.26 0.37 -0.14 -1.26 -0.86 119.74 118.69 1zpk s LYS 55 Ca 0.17 0.56 0.06 0.00 -1.36 0.00 0.00 55.97 55.40 1zpk s LYS 55 Cb 0.03 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 1zpk s LYS 55 CO 0.00 0.14 -0.07 0.14 -0.76 0.00 0.00 175.35 174.80 1zpk s VAL 56 N 0.66 1.57 -0.25 3.17 -7.23 0.18 -4.39 120.40 114.12 1zpk s VAL 56 Ca 0.29 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 1zpk s VAL 56 Cb -0.16 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1zpk s VAL 56 CO 0.12 -0.37 0.21 -0.13 -0.31 0.00 0.00 175.10 174.62 1zpk s ARG 57 N -3.73 4.05 -0.18 4.82 0.52 0.30 -1.84 118.95 122.89 1zpk s ARG 57 Ca 0.28 -0.21 -0.18 0.00 -0.52 0.00 0.00 55.73 55.10 1zpk s ARG 57 Cb 0.03 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1zpk s ARG 57 CO 0.10 -0.02 0.50 -1.14 0.02 0.00 0.00 175.30 174.76 1zpk s GLN 58 N 1.29 4.23 -0.13 3.54 0.74 -0.03 -0.27 119.66 129.03 1zpk s GLN 58 Ca 0.09 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.93 1zpk s GLN 58 Cb -0.14 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.44 1zpk s GLN 58 CO 0.06 -0.06 -0.20 0.71 -0.55 0.00 0.00 175.29 175.26 1zpk s TYR 59 N 1.33 2.68 0.39 1.67 1.51 -0.30 -1.13 117.35 123.50 1zpk s TYR 59 Ca 0.24 -1.09 0.08 0.00 -1.01 0.00 0.00 57.07 55.29 1zpk s TYR 59 Cb -0.15 -1.80 -0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1zpk s TYR 59 CO 0.10 -0.47 0.51 -0.51 -1.11 0.00 0.00 175.55 174.07 1zpk s ASP 60 N 0.61 5.65 -1.46 2.29 -0.00 -1.26 -0.36 116.67 122.13 1zpk s ASP 60 Ca -0.11 -0.40 -0.05 0.00 -0.00 0.00 0.00 52.55 51.99 1zpk s ASP 60 Cb -0.16 -0.81 0.04 0.00 -0.00 0.00 0.00 42.92 41.99 1zpk s ASP 60 CO 0.03 -0.65 0.60 0.00 -0.00 0.00 0.00 175.17 175.15 1zpk n GLN 61 N -1.74 -3.80 -3.88 8.23 6.02 -1.15 -4.89 117.38 116.17 1zpk n GLN 61 Ca 0.05 0.46 -0.35 0.00 -0.01 0.00 0.00 57.00 57.15 1zpk n GLN 61 Cb 0.59 -4.85 -0.08 0.00 1.02 0.00 0.00 30.24 26.92 1zpk n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1zpk s ILE 62 N -3.72 5.14 -0.06 5.09 -1.09 -0.37 -4.76 121.20 121.44 1zpk s ILE 62 Ca 0.21 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.43 1zpk s ILE 62 Cb -0.11 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1zpk s ILE 62 CO 0.88 0.48 1.14 -0.22 -1.23 0.00 0.00 174.94 175.98 1zpk s LEU 63 N 0.13 4.28 -0.04 2.97 2.96 -1.26 -1.63 118.68 126.10 1zpk s LEU 63 Ca 0.07 1.75 0.03 0.00 -0.22 0.00 0.00 54.13 55.76 1zpk s LEU 63 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1zpk s LEU 63 CO -0.00 -0.52 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.75 1zpk s ILE 64 N 2.00 1.08 -0.35 6.68 1.01 0.11 -4.36 121.20 127.37 1zpk s ILE 64 Ca 0.54 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 1zpk s ILE 64 Cb -0.23 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1zpk s ILE 64 CO 0.22 0.32 0.23 -1.61 0.00 0.00 0.00 174.94 174.10 1zpk s GLU 65 N 0.16 3.36 -0.35 2.79 2.02 0.19 -1.02 118.70 125.86 1zpk s GLU 65 Ca -0.04 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1zpk s GLU 65 Cb -0.10 -3.78 0.50 0.00 0.10 0.00 0.00 34.13 30.84 1zpk s GLU 65 CO 0.01 -0.49 1.50 -0.89 0.02 0.00 0.00 175.26 175.41 1zpk n ILE 66 N 5.09 2.72 0.00 -1.63 5.41 -1.26 -1.52 119.36 128.16 1zpk n ILE 66 Ca -0.13 -3.05 0.00 0.00 1.00 0.00 0.00 62.75 60.58 1zpk n ILE 66 Cb 0.49 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 1zpk n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1zpk n GLY 68 N -1.02 0.00 3.47 7.39 0.00 -1.26 -4.73 105.19 109.04 1zpk n GLY 68 Ca 0.40 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1zpk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zpk s HIS 69 N 0.00 3.15 0.06 1.61 4.02 -1.26 -5.08 115.29 117.79 1zpk s HIS 69 Ca 0.00 -0.39 -0.29 0.00 1.02 0.00 0.00 55.06 55.40 1zpk s HIS 69 Cb 0.00 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.58 29.20 1zpk s HIS 69 CO 0.00 -0.36 0.94 0.15 1.02 0.00 0.00 174.74 176.48 1zpk s LYS 70 N 1.64 4.62 0.03 1.40 1.02 -1.26 -4.25 119.74 122.94 1zpk s LYS 70 Ca 0.06 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.41 1zpk s LYS 70 Cb -0.16 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1zpk s LYS 70 CO 0.06 0.13 -0.00 0.14 -0.92 0.00 0.00 175.35 174.76 1zpk s VAL 71 N 0.35 0.13 -0.18 3.17 -7.23 -0.19 -4.98 120.40 111.48 1zpk s VAL 71 Ca 0.47 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1zpk s VAL 71 Cb -0.22 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.16 1zpk s VAL 71 CO 0.28 -0.59 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.65 1zpk s ILE 72 N -2.04 2.08 0.00 -0.62 -1.09 -1.26 0.07 121.20 118.34 1zpk s ILE 72 Ca -0.10 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1zpk s ILE 72 Cb -0.05 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1zpk s ILE 72 CO -0.03 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1zpk n GLY 73 N 4.59 1.56 3.79 6.18 0.00 -0.64 -4.80 105.19 115.87 1zpk n GLY 73 Ca -0.21 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1zpk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zpk s THR 74 N -2.70 4.50 -0.06 2.61 2.01 -1.26 -1.24 115.64 119.50 1zpk s THR 74 Ca 0.00 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.57 1zpk s THR 74 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1zpk s THR 74 CO 0.00 0.53 -0.12 0.54 -0.69 0.00 0.00 174.62 174.87 1zpk s VAL 75 N -1.08 1.12 -0.14 3.82 0.11 0.51 -4.53 120.40 120.20 1zpk s VAL 75 Ca 0.34 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1zpk s VAL 75 Cb -0.22 -1.02 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 1zpk s VAL 75 CO 0.24 0.35 0.23 -0.76 -3.33 0.00 0.00 175.10 171.82 1zpk s LEU 76 N 0.59 4.30 -0.08 2.54 1.43 0.28 -1.15 118.68 126.58 1zpk s LEU 76 Ca -0.13 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1zpk s LEU 76 Cb -0.15 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1zpk s LEU 76 CO 0.03 0.23 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 1zpk s VAL 77 N -0.14 2.37 -1.76 -1.59 1.01 0.63 0.17 120.40 121.08 1zpk s VAL 77 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1zpk s VAL 77 Cb -0.13 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1zpk s VAL 77 CO 0.04 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1zpk n GLY 78 N 3.14 -1.35 2.44 4.51 0.00 -0.59 0.11 105.19 113.44 1zpk n GLY 78 Ca -0.18 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1zpk n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zpk n PRO 79 N -0.05 3.63 -3.48 1.61 -0.04 -1.26 -3.29 135.00 132.12 1zpk n PRO 79 Ca 0.00 -2.48 -0.38 0.00 -0.04 0.00 0.00 63.50 60.60 1zpk n PRO 79 Cb 0.00 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.51 1zpk n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1zpk s THR 80 N 1.93 5.12 -1.60 0.52 -1.32 -1.26 -4.98 115.64 114.06 1zpk s THR 80 Ca 0.62 0.79 0.17 0.00 -1.21 0.00 0.00 61.69 62.07 1zpk s THR 80 Cb 0.17 -3.71 0.36 0.00 -1.51 0.00 0.00 72.50 67.81 1zpk s THR 80 CO -0.07 0.50 1.48 -2.65 -2.21 0.00 0.00 174.62 171.67 1zpk n PRO 81 N 2.49 0.33 -3.63 7.08 -0.02 -1.26 -4.57 135.00 135.42 1zpk n PRO 81 Ca -0.12 0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.29 1zpk n PRO 81 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.43 1zpk n PRO 81 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1zpk s THR 82 N -2.40 0.01 -0.14 3.45 2.01 -1.26 -5.08 115.64 112.23 1zpk s THR 82 Ca 0.19 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1zpk s THR 82 Cb 0.12 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 1zpk s THR 82 CO 0.24 -0.06 1.19 0.20 -0.69 0.00 0.00 174.62 175.51 1zpk s ASN 83 N -0.61 7.02 -0.12 3.53 0.01 -1.26 -4.61 114.94 118.90 1zpk s ASN 83 Ca -0.07 1.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.78 1zpk s ASN 83 Cb -0.03 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1zpk s ASN 83 CO 0.05 -0.68 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.05 1zpk s VAL 84 N 3.00 2.03 -0.37 1.60 1.01 0.46 -0.68 120.40 127.44 1zpk s VAL 84 Ca 0.53 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1zpk s VAL 84 Cb -0.21 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1zpk s VAL 84 CO 0.15 0.55 0.49 -0.63 0.00 0.00 0.00 175.10 175.67 1zpk s ILE 85 N 0.55 5.03 0.56 2.22 -1.09 0.02 -0.71 121.20 127.77 1zpk s ILE 85 Ca -0.14 0.14 0.09 0.00 -2.23 0.00 0.00 60.65 58.51 1zpk s ILE 85 Cb -0.17 -3.99 0.09 0.00 -1.58 0.00 0.00 42.46 36.81 1zpk s ILE 85 CO 0.04 -0.29 0.77 0.61 -1.23 0.00 0.00 174.94 174.85 1zpk n GLY 86 N 4.91 1.91 0.26 6.18 0.00 -1.17 -1.13 105.19 116.15 1zpk n GLY 86 Ca -0.05 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.87 1zpk n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1zpk h ARG 87 N 0.00 0.00 -0.15 1.61 3.08 -0.60 -0.88 114.38 117.44 1zpk h ARG 87 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1zpk h ARG 87 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1zpk h ARG 87 CO 0.37 0.11 0.10 -2.95 -1.07 0.00 0.00 179.97 176.52 1zpk h ASN 88 N 0.00 0.17 0.00 7.04 -1.07 -1.73 -1.76 115.58 118.23 1zpk h ASN 88 Ca -0.00 -0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.09 1zpk h ASN 88 Cb 0.27 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 36.42 1zpk h ASN 88 CO 0.01 0.12 -2.28 0.18 0.07 0.00 0.00 177.43 175.54 1zpk n LEU 89 N -4.52 0.00 -0.02 6.14 4.77 -0.60 -4.28 117.00 118.50 1zpk n LEU 89 Ca -0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1zpk n LEU 89 Cb 0.08 0.37 0.38 0.00 -2.33 0.00 0.00 43.42 41.92 1zpk n LEU 89 CO 0.34 0.37 1.12 -0.07 -1.33 0.00 0.00 177.39 177.82 1zpk h LEU 90 N 0.00 0.51 -1.07 2.23 3.38 -0.91 -1.14 115.31 118.31 1zpk h LEU 90 Ca -0.41 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1zpk h LEU 90 Cb 1.93 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1zpk h LEU 90 CO 0.02 0.42 -0.20 0.71 0.09 0.00 0.00 178.44 179.49 1zpk h THR 91 N 0.59 1.24 0.00 0.22 1.35 -1.53 -1.38 112.91 113.40 1zpk h THR 91 Ca 0.15 -1.12 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1zpk h THR 91 Cb 0.03 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1zpk h THR 91 CO -0.02 0.36 -0.21 1.56 -0.25 0.00 0.00 175.52 176.95 1zpk h GLN 92 N 0.39 0.00 -0.44 4.72 4.20 -1.40 -0.90 115.11 121.68 1zpk h GLN 92 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1zpk h GLN 92 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1zpk h GLN 92 CO 0.04 0.21 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 1zpk n ILE 93 N -3.30 0.58 -2.44 2.54 -5.35 -0.94 -4.95 119.36 105.51 1zpk n ILE 93 Ca 0.01 -0.64 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 1zpk n ILE 93 Cb 0.47 0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.83 1zpk n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1zpk n GLY 94 N 1.32 -0.08 3.74 3.28 0.00 -0.34 -5.00 105.19 108.12 1zpk n GLY 94 Ca 0.18 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1zpk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zpk s THR 96 N -0.70 1.32 -0.06 0.00 -4.23 -1.26 -4.77 115.64 105.94 1zpk s THR 96 Ca 0.44 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1zpk s THR 96 Cb -0.26 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 1zpk s THR 96 CO 0.33 -0.70 0.29 -0.76 -0.54 0.00 0.00 174.62 173.23 1zpk s LEU 97 N -3.20 4.43 0.01 4.79 1.43 -1.26 -5.07 118.68 119.80 1zpk s LEU 97 Ca 0.18 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1zpk s LEU 97 Cb 0.02 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1zpk s LEU 97 CO 0.02 0.35 -0.02 0.20 0.23 0.00 0.00 176.35 177.12 1zpk s ASN 98 N -0.96 0.26 0.00 2.29 0.01 -1.26 -5.28 114.94 110.00 1zpk s ASN 98 Ca 0.20 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1zpk s ASN 98 Cb -0.14 0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.52 1zpk s ASN 98 CO 0.09 -0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.85