#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1izi s GLN 2 N 0.00 3.37 -0.25 0.54 0.74 -1.26 -5.09 119.66 117.72 1izi s GLN 2 Ca 0.00 -0.64 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 1izi s GLN 2 Cb 0.00 -2.92 -0.00 0.00 1.10 0.00 0.00 33.01 31.18 1izi s GLN 2 CO 0.00 -0.11 0.01 0.42 -0.55 0.00 0.00 175.29 175.06 1izi s ILE 3 N 1.23 3.69 0.88 -2.34 1.01 -1.26 -5.11 121.20 119.30 1izi s ILE 3 Ca 0.03 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1izi s ILE 3 Cb -0.14 -2.77 0.13 0.00 0.01 0.00 0.00 42.46 39.69 1izi s ILE 3 CO -0.02 0.29 1.24 0.42 0.00 0.00 0.00 174.94 176.87 1izi s THR 4 N 1.50 1.99 -0.11 2.92 -4.23 -1.26 -5.02 115.64 111.44 1izi s THR 4 Ca 0.05 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.71 1izi s THR 4 Cb -0.15 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.94 1izi s THR 4 CO -0.00 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.37 1izi n LEU 5 N -3.54 2.11 0.22 4.79 4.77 -1.26 -4.54 117.00 119.55 1izi n LEU 5 Ca 0.11 -2.79 0.09 0.00 -0.03 0.00 0.00 56.01 53.38 1izi n LEU 5 Cb 0.60 -0.35 0.46 0.00 -2.33 0.00 0.00 43.42 41.80 1izi n LEU 5 CO 0.52 0.65 0.79 -0.50 -1.33 0.00 0.00 177.39 177.52 1izi h TRP 6 N 0.00 0.00 -2.14 -1.77 4.06 -2.06 -3.43 115.95 110.61 1izi h TRP 6 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1izi h TRP 6 Cb 0.99 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.01 1izi h TRP 6 CO 0.01 0.26 -0.72 -0.65 -3.56 0.00 0.00 178.44 173.78 1izi s GLN 7 N -3.73 1.72 0.25 0.49 -0.21 -1.26 -5.09 119.66 111.83 1izi s GLN 7 Ca -0.00 -1.84 -0.31 0.00 0.02 0.00 0.00 55.36 53.23 1izi s GLN 7 Cb 0.11 -1.67 -0.13 0.00 1.00 0.00 0.00 33.01 32.32 1izi s GLN 7 CO 0.65 0.21 1.37 0.54 -2.12 0.00 0.00 175.29 175.94 1izi n ARG 8 N -0.69 1.97 -1.91 2.91 1.74 -1.26 -4.84 116.66 114.58 1izi n ARG 8 Ca -0.05 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 1izi n ARG 8 Cb 0.62 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1izi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1izi n PRO 9 N 1.82 2.98 -3.13 5.56 -0.04 -1.26 -4.95 135.00 135.97 1izi n PRO 9 Ca 0.11 -2.79 -0.39 0.00 -0.04 0.00 0.00 63.50 60.39 1izi n PRO 9 Cb 0.32 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 1izi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1izi s LEU 10 N 2.24 4.46 0.14 1.53 1.43 -1.26 -0.21 118.68 127.00 1izi s LEU 10 Ca 0.47 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.93 1izi s LEU 10 Cb 0.12 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1izi s LEU 10 CO -0.06 0.11 -0.11 0.68 0.23 0.00 0.00 176.35 177.21 1izi s VAL 11 N -0.37 1.16 0.09 -1.59 -7.23 0.11 -4.93 120.40 107.64 1izi s VAL 11 Ca 0.33 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.29 1izi s VAL 11 Cb -0.20 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 1izi s VAL 11 CO 0.20 -0.68 0.76 -0.89 -0.31 0.00 0.00 175.10 174.18 1izi s THR 12 N -3.06 4.59 0.19 5.32 2.01 -1.26 -0.82 115.64 122.61 1izi s THR 12 Ca 0.14 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.86 1izi s THR 12 Cb 0.01 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1izi s THR 12 CO 0.01 0.43 -0.15 0.27 -0.69 0.00 0.00 174.62 174.49 1izi s ILE 13 N -0.51 1.70 -0.11 1.82 -4.36 0.55 -2.48 121.20 117.81 1izi s ILE 13 Ca 0.37 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1izi s ILE 13 Cb -0.21 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1izi s ILE 13 CO 0.24 -0.53 -0.12 -0.75 0.24 0.00 0.00 174.94 174.02 1izi s LYS 14 N -3.38 1.96 -0.13 0.37 2.20 -0.06 -0.49 119.74 120.20 1izi s LYS 14 Ca 0.20 -0.45 -0.11 0.00 -0.36 0.00 0.00 55.97 55.25 1izi s LYS 14 Cb -0.02 -1.76 0.04 0.00 -1.51 0.00 0.00 37.83 34.58 1izi s LYS 14 CO 0.06 -0.13 0.34 -1.50 -0.36 0.00 0.00 175.35 173.76 1izi s ILE 15 N 1.21 -0.01 -1.33 5.43 2.07 0.04 -0.61 121.20 128.00 1izi s ILE 15 Ca -0.03 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1izi s ILE 15 Cb -0.14 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1izi s ILE 15 CO -0.04 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 1izi n GLY 16 N 3.25 -0.05 2.59 1.50 0.00 -1.26 -0.44 105.19 110.78 1izi n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1izi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1izi n GLY 17 N -0.72 0.78 3.73 -0.02 0.00 -1.26 -5.04 105.19 102.66 1izi n GLY 17 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1izi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1izi s GLN 18 N -0.01 2.77 -0.12 1.61 -0.21 0.42 -5.11 119.66 119.01 1izi s GLN 18 Ca 0.00 -0.70 -0.18 0.00 0.02 0.00 0.00 55.36 54.51 1izi s GLN 18 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 1izi s GLN 18 CO 0.00 0.58 0.45 -0.51 -2.12 0.00 0.00 175.29 173.69 1izi s LEU 19 N -2.11 4.28 0.15 2.90 1.43 -1.26 -0.78 118.68 123.30 1izi s LEU 19 Ca 0.25 0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1izi s LEU 19 Cb -0.12 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1izi s LEU 19 CO 0.17 0.03 0.12 -0.54 0.23 0.00 0.00 176.35 176.36 1izi s LYS 20 N 0.53 1.03 -0.08 1.70 1.02 0.35 -4.99 119.74 119.31 1izi s LYS 20 Ca 0.25 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 54.82 1izi s LYS 20 Cb -0.15 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 1izi s LYS 20 CO 0.10 -0.32 -0.10 -2.00 -0.92 0.00 0.00 175.35 172.11 1izi s GLU 21 N -4.06 2.84 0.03 1.68 2.12 -1.26 -0.33 118.70 119.72 1izi s GLU 21 Ca 0.26 -0.61 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 1izi s GLU 21 Cb 0.06 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 1izi s GLU 21 CO 0.04 0.56 0.08 0.00 -0.54 0.00 0.00 175.26 175.40 1izi s ALA 22 N -0.54 -0.06 -0.17 6.30 0.00 -0.00 -4.57 121.76 122.72 1izi s ALA 22 Ca 0.08 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 1izi s ALA 22 Cb -0.12 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1izi s ALA 22 CO 0.02 -0.28 0.52 -1.17 0.00 0.00 0.00 175.76 174.84 1izi s LEU 23 N -1.96 4.19 -0.37 0.00 2.96 -0.61 0.05 118.68 122.94 1izi s LEU 23 Ca -0.07 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 1izi s LEU 23 Cb -0.03 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1izi s LEU 23 CO -0.03 -0.13 1.43 -0.76 -1.32 0.00 0.00 176.35 175.54 1izi s LEU 24 N 1.33 3.66 -0.43 -0.68 1.43 0.70 -0.59 118.68 124.11 1izi s LEU 24 Ca 0.25 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1izi s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 1izi s LEU 24 CO 0.10 -1.37 0.18 -0.62 0.23 0.00 0.00 176.35 174.87 1izi s ASP 25 N 3.89 4.28 0.59 2.29 3.68 -0.48 -4.78 116.67 126.15 1izi s ASP 25 Ca 0.62 -2.53 0.34 0.00 2.13 0.00 0.00 52.55 53.11 1izi s ASP 25 Cb -0.16 -1.43 1.89 0.00 -1.45 0.00 0.00 42.92 41.77 1izi s ASP 25 CO 0.31 -0.30 2.23 0.71 0.13 0.00 0.00 175.17 178.24 1izi h THR 26 N 5.88 0.33 0.00 1.71 1.35 -1.93 -2.10 112.91 118.16 1izi h THR 26 Ca -0.06 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1izi h THR 26 Cb 0.95 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1izi h THR 26 CO 0.57 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1izi n GLY 27 N -0.97 -0.91 3.37 5.82 0.00 -1.26 -4.79 105.19 106.46 1izi n GLY 27 Ca -0.02 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1izi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1izi s ALA 28 N -2.30 3.03 0.28 4.61 0.00 -0.79 -4.97 121.76 121.62 1izi s ALA 28 Ca 0.29 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1izi s ALA 28 Cb 0.16 -2.00 0.42 0.00 0.00 0.00 0.00 23.12 21.70 1izi s ALA 28 CO 0.32 -0.63 1.82 -0.44 0.00 0.00 0.00 175.76 176.83 1izi h ASP 29 N 8.20 0.73 -1.82 0.00 3.45 -1.86 0.34 116.42 125.46 1izi h ASP 29 Ca -0.37 -0.14 -0.57 0.00 0.43 0.00 0.00 57.03 56.39 1izi h ASP 29 Cb 1.15 -0.19 -0.09 0.00 -0.56 0.00 0.00 39.33 39.64 1izi h ASP 29 CO 0.59 0.74 -0.56 -1.81 -1.57 0.00 0.00 179.24 176.64 1izi s ASP 30 N -6.61 4.42 -0.27 6.45 -0.00 -1.26 -1.75 116.67 117.65 1izi s ASP 30 Ca -0.09 -0.94 -0.11 0.00 -0.00 0.00 0.00 52.55 51.41 1izi s ASP 30 Cb 0.15 -0.59 -0.05 0.00 -0.00 0.00 0.00 42.92 42.44 1izi s ASP 30 CO 0.80 -0.34 0.19 -0.89 -0.00 0.00 0.00 175.17 174.93 1izi s THR 31 N -2.51 5.32 -0.10 -1.27 2.01 -1.26 -2.72 115.64 115.10 1izi s THR 31 Ca 0.37 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1izi s THR 31 Cb 0.00 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1izi s THR 31 CO 0.21 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 1izi s VAL 32 N 1.60 1.03 0.04 3.82 1.01 -0.47 -0.25 120.40 127.19 1izi s VAL 32 Ca 0.08 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1izi s VAL 32 Cb -0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1izi s VAL 32 CO 0.09 0.36 -0.17 -0.76 0.00 0.00 0.00 175.10 174.62 1izi s LEU 33 N 1.45 2.65 1.17 3.92 1.43 0.99 -0.08 118.68 130.22 1izi s LEU 33 Ca 0.00 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 1izi s LEU 33 Cb -0.13 -1.54 0.20 0.00 0.03 0.00 0.00 46.19 44.74 1izi s LEU 33 CO -0.05 0.25 0.44 -0.62 0.23 0.00 0.00 176.35 176.60 1izi n GLU 34 N 1.51 -2.21 -1.53 1.70 1.02 -1.26 -1.91 120.64 117.96 1izi n GLU 34 Ca -0.16 -0.63 -0.55 0.00 -0.02 0.00 0.00 57.16 55.81 1izi n GLU 34 Cb 0.52 -1.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1izi n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1izi n GLU 35 N -3.42 0.48 -3.57 3.49 0.00 -1.23 -4.38 120.64 112.00 1izi n GLU 35 Ca 0.02 0.17 -0.06 0.00 0.00 0.00 0.00 57.16 57.29 1izi n GLU 35 Cb 0.58 -1.66 -0.02 0.00 0.00 0.00 0.00 31.44 30.34 1izi n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1izi s MET 36 N -0.03 0.44 0.22 5.31 0.23 -1.26 -5.03 119.30 119.17 1izi s MET 36 Ca 0.84 -0.14 -0.07 0.00 -1.03 0.00 0.00 55.69 55.29 1izi s MET 36 Cb -1.09 0.20 -0.06 0.00 -1.53 0.00 0.00 34.83 32.35 1izi s MET 36 CO 0.53 -0.19 0.50 1.21 -2.03 0.00 0.00 175.02 175.05 1izi s ASN 37 N -2.14 6.56 -0.06 -1.18 2.47 -1.26 -5.01 114.94 114.32 1izi s ASN 37 Ca 0.08 0.80 -0.06 0.00 0.42 0.00 0.00 52.86 54.09 1izi s ASN 37 Cb -0.01 -2.18 0.02 0.00 -1.45 0.00 0.00 41.25 37.63 1izi s ASN 37 CO -0.05 -0.06 0.17 -0.76 -3.72 0.00 0.00 177.10 172.67 1izi s LEU 38 N -2.91 1.35 0.09 3.21 1.43 -1.26 -4.96 118.68 115.64 1izi s LEU 38 Ca 0.45 0.34 -0.36 0.00 -1.03 0.00 0.00 54.13 53.53 1izi s LEU 38 Cb -0.11 0.58 -0.16 0.00 0.03 0.00 0.00 46.19 46.53 1izi s LEU 38 CO 0.24 -0.06 1.39 -0.81 0.23 0.00 0.00 176.35 177.34 1izi n PRO 39 N 2.98 1.33 0.00 1.29 -0.04 -1.26 -4.79 135.00 134.50 1izi n PRO 39 Ca -0.13 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1izi n PRO 39 Cb 0.59 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1izi n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1izi n GLY 40 N 2.71 -1.19 3.95 0.55 0.00 -1.26 -5.03 105.19 104.92 1izi n GLY 40 Ca 0.18 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 1izi n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1izi s ARG 41 N -0.30 2.73 0.14 1.61 3.00 -1.26 -5.14 118.95 119.73 1izi s ARG 41 Ca 0.00 -0.50 -0.19 0.00 -1.00 0.00 0.00 55.73 54.05 1izi s ARG 41 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 34.95 32.56 1izi s ARG 41 CO 0.00 -0.63 0.48 1.67 0.00 0.00 0.00 175.30 176.82 1izi s TRP 42 N -2.79 -0.33 0.01 5.12 1.48 -1.26 -4.52 118.94 116.65 1izi s TRP 42 Ca 0.54 0.05 0.07 0.00 -1.06 0.00 0.00 56.10 55.70 1izi s TRP 42 Cb -0.10 0.38 -0.03 0.00 -1.16 0.00 0.00 33.47 32.56 1izi s TRP 42 CO 0.40 -0.76 -0.20 0.21 -4.06 0.00 0.00 176.95 172.53 1izi s LYS 43 N -3.79 2.14 0.65 3.25 2.20 -0.93 -4.94 119.74 118.34 1izi s LYS 43 Ca 0.02 -0.92 -0.14 0.00 -0.36 0.00 0.00 55.97 54.58 1izi s LYS 43 Cb 0.01 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 34.15 1izi s LYS 43 CO -0.12 0.56 1.07 -2.14 -0.36 0.00 0.00 175.35 174.36 1izi s PRO 44 N -1.04 3.00 0.24 4.03 0.02 -1.26 -1.86 135.00 138.13 1izi s PRO 44 Ca 0.12 1.17 -0.20 0.00 0.02 0.00 0.00 61.00 62.11 1izi s PRO 44 Cb -0.10 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.45 1izi s PRO 44 CO 0.02 -1.06 0.65 0.15 -0.33 0.00 0.00 177.00 176.42 1izi s LYS 45 N -4.43 1.61 0.10 5.54 1.02 -0.68 -4.87 119.74 118.03 1izi s LYS 45 Ca 0.62 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.79 1izi s LYS 45 Cb -0.16 0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 37.69 1izi s LYS 45 CO 0.45 -0.72 -0.20 -1.64 -0.92 0.00 0.00 175.35 172.32 1izi s MET 46 N -3.89 1.07 0.05 1.68 -1.94 -1.26 -0.69 119.30 114.32 1izi s MET 46 Ca 0.10 -1.12 -0.02 0.00 -1.71 0.00 0.00 55.69 52.94 1izi s MET 46 Cb -0.04 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.48 1izi s MET 46 CO 0.02 0.30 -0.00 0.96 -0.01 0.00 0.00 175.02 176.29 1izi s ILE 47 N -1.18 0.21 0.26 2.53 -4.36 -0.50 -4.94 121.20 113.22 1izi s ILE 47 Ca 0.05 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.78 1izi s ILE 47 Cb -0.10 -1.47 -0.06 0.00 1.25 0.00 0.00 42.46 42.08 1izi s ILE 47 CO 0.04 -0.94 -0.03 -0.83 0.24 0.00 0.00 174.94 173.42 1izi s GLY 48 N -2.88 1.73 0.00 6.27 0.00 -1.26 -0.93 107.32 110.24 1izi s GLY 48 Ca 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1izi s GLY 48 CO -0.10 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 171.85 1izi n GLY 49 N -0.52 3.32 0.29 0.20 0.00 -0.43 -5.00 105.19 103.05 1izi n GLY 49 Ca -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 1izi n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1izi h ILE 50 N 0.00 0.28 -0.62 -0.61 6.09 -2.02 -2.67 117.51 117.97 1izi h ILE 50 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1izi h ILE 50 Cb 0.00 0.28 0.00 0.00 0.47 0.00 0.00 36.82 37.57 1izi h ILE 50 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 1izi n GLY 51 N -1.43 2.32 0.00 8.18 0.00 -1.26 -5.05 105.19 107.95 1izi n GLY 51 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1izi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1izi n GLY 52 N 1.25 0.51 3.44 -0.02 0.00 -1.01 -5.11 105.19 104.25 1izi n GLY 52 Ca 0.23 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 1izi n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1izi s PHE 53 N -2.44 1.99 0.03 1.61 -0.71 -1.26 -1.31 117.98 115.89 1izi s PHE 53 Ca 0.00 -0.67 -0.04 0.00 -1.04 0.00 0.00 56.93 55.18 1izi s PHE 53 Cb 0.00 -1.12 -0.02 0.00 -1.21 0.00 0.00 43.02 40.68 1izi s PHE 53 CO 0.00 0.32 0.05 0.96 -1.34 0.00 0.00 175.22 175.21 1izi s ILE 54 N -2.97 0.13 0.08 -4.49 -4.36 -0.11 -4.95 121.20 104.53 1izi s ILE 54 Ca 0.29 -1.07 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 1izi s ILE 54 Cb 0.03 -0.74 -0.06 0.00 1.25 0.00 0.00 42.46 42.94 1izi s ILE 54 CO 0.12 -0.59 0.83 -0.75 0.24 0.00 0.00 174.94 174.79 1izi s LYS 55 N -2.29 4.57 0.25 0.37 2.20 -1.26 -1.41 119.74 122.17 1izi s LYS 55 Ca -0.08 1.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.77 1izi s LYS 55 Cb -0.03 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1izi s LYS 55 CO -0.03 0.29 -0.00 0.14 -0.36 0.00 0.00 175.35 175.39 1izi s VAL 56 N -0.16 1.15 -0.10 4.02 -7.23 0.13 -4.30 120.40 113.91 1izi s VAL 56 Ca 0.41 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1izi s VAL 56 Cb -0.22 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1izi s VAL 56 CO 0.25 -0.26 0.01 -0.13 -0.31 0.00 0.00 175.10 174.66 1izi s ARG 57 N -3.85 3.12 -0.23 4.82 0.52 0.16 -1.69 118.95 121.81 1izi s ARG 57 Ca 0.30 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1izi s ARG 57 Cb 0.06 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 1izi s ARG 57 CO 0.10 0.64 -0.02 -1.14 0.02 0.00 0.00 175.30 174.91 1izi s GLN 58 N -0.70 3.45 -0.15 3.54 0.74 -0.78 -0.28 119.66 125.48 1izi s GLN 58 Ca 0.11 -0.59 0.02 0.00 0.05 0.00 0.00 55.36 54.95 1izi s GLN 58 Cb -0.12 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.92 1izi s GLN 58 CO 0.02 -0.19 -0.19 0.71 -0.55 0.00 0.00 175.29 175.09 1izi s TYR 59 N 1.49 2.72 0.42 1.67 1.51 -0.90 -2.19 117.35 122.07 1izi s TYR 59 Ca 0.06 -1.20 0.01 0.00 -1.01 0.00 0.00 57.07 54.92 1izi s TYR 59 Cb -0.14 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1izi s TYR 59 CO -0.02 -0.55 0.64 -0.51 -1.11 0.00 0.00 175.55 174.00 1izi s ASP 60 N 0.80 5.95 -1.44 2.29 -0.00 -1.26 -1.29 116.67 121.72 1izi s ASP 60 Ca -0.07 0.31 -0.07 0.00 -0.00 0.00 0.00 52.55 52.73 1izi s ASP 60 Cb -0.15 -1.64 0.04 0.00 -0.00 0.00 0.00 42.92 41.17 1izi s ASP 60 CO -0.01 -0.60 0.76 0.00 -0.00 0.00 0.00 175.17 175.32 1izi n GLN 61 N -2.00 -4.69 -3.73 8.23 6.02 -1.19 -4.88 117.38 115.15 1izi n GLN 61 Ca -0.00 0.55 -0.36 0.00 -0.01 0.00 0.00 57.00 57.18 1izi n GLN 61 Cb 0.57 -5.16 -0.06 0.00 1.02 0.00 0.00 30.24 26.61 1izi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1izi s ILE 62 N -3.56 5.30 -0.06 5.09 -1.09 -0.03 -4.78 121.20 122.08 1izi s ILE 62 Ca 0.30 0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 58.89 1izi s ILE 62 Cb -0.16 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1izi s ILE 62 CO 0.84 0.51 0.53 -0.22 -1.23 0.00 0.00 174.94 175.36 1izi s LEU 63 N -1.34 4.35 -0.01 2.97 2.96 -1.26 -0.40 118.68 125.95 1izi s LEU 63 Ca 0.22 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1izi s LEU 63 Cb -0.14 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.77 1izi s LEU 63 CO 0.11 0.06 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.69 1izi s ILE 64 N 0.16 0.10 -0.30 6.68 2.07 0.18 -4.31 121.20 125.79 1izi s ILE 64 Ca 0.28 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.43 1izi s ILE 64 Cb -0.17 -0.13 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 1izi s ILE 64 CO 0.14 0.06 0.14 -1.61 -1.91 0.00 0.00 174.94 171.76 1izi s GLU 65 N 0.30 3.41 -0.25 3.50 2.02 0.22 -0.44 118.70 127.45 1izi s GLU 65 Ca -0.03 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 1izi s GLU 65 Cb -0.05 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.67 1izi s GLU 65 CO -0.01 -0.37 -0.03 0.42 0.02 0.00 0.00 175.26 175.29 1izi s ILE 66 N 1.62 3.18 -1.25 -1.63 1.01 -0.43 -0.89 121.20 122.80 1izi s ILE 66 Ca 0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 1izi s ILE 66 Cb -0.17 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.83 1izi s ILE 66 CO 0.06 0.21 0.45 0.00 0.00 0.00 0.00 174.94 175.66 1izi n GLY 68 N -1.01 0.74 3.55 0.00 0.00 -1.26 -5.00 105.19 102.20 1izi n GLY 68 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1izi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1izi s HIS 69 N -2.90 3.22 0.26 1.61 4.02 0.55 -5.06 115.29 116.99 1izi s HIS 69 Ca 0.00 -0.09 -0.29 0.00 1.02 0.00 0.00 55.06 55.69 1izi s HIS 69 Cb 0.00 -2.50 -0.09 0.00 -1.02 0.00 0.00 32.58 28.97 1izi s HIS 69 CO 0.00 -0.33 0.97 0.15 1.02 0.00 0.00 174.74 176.55 1izi s LYS 70 N 1.80 4.78 0.06 1.40 1.02 -1.26 -1.32 119.74 126.22 1izi s LYS 70 Ca 0.08 1.53 -0.07 0.00 0.02 0.00 0.00 55.97 57.53 1izi s LYS 70 Cb -0.17 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1izi s LYS 70 CO 0.11 0.43 0.14 0.14 -0.92 0.00 0.00 175.35 175.25 1izi s VAL 71 N -1.23 0.14 -0.10 3.17 -7.23 0.41 -4.97 120.40 110.60 1izi s VAL 71 Ca 0.43 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1izi s VAL 71 Cb -0.26 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.52 1izi s VAL 71 CO 0.33 -0.65 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.68 1izi s ILE 72 N -3.30 1.49 0.05 -0.62 1.01 -1.26 -0.65 121.20 117.93 1izi s ILE 72 Ca 0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1izi s ILE 72 Cb 0.03 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1izi s ILE 72 CO -0.08 0.44 0.33 0.61 0.00 0.00 0.00 174.94 176.24 1izi n GLY 73 N 4.04 1.01 3.73 6.18 0.00 0.47 -4.85 105.19 115.77 1izi n GLY 73 Ca -0.20 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1izi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1izi s THR 74 N -2.37 4.48 -0.06 2.61 2.01 -1.26 -0.85 115.64 120.20 1izi s THR 74 Ca 0.07 2.05 0.04 0.00 0.31 0.00 0.00 61.69 64.16 1izi s THR 74 Cb -0.01 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1izi s THR 74 CO 0.01 0.34 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.41 1izi s VAL 75 N -0.11 1.50 -0.06 3.82 1.01 -0.41 -4.58 120.40 121.57 1izi s VAL 75 Ca 0.46 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1izi s VAL 75 Cb -0.23 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1izi s VAL 75 CO 0.30 0.43 0.11 -0.76 0.00 0.00 0.00 175.10 175.18 1izi s LEU 76 N 0.21 4.12 -0.05 3.92 1.43 0.66 -2.12 118.68 126.85 1izi s LEU 76 Ca -0.09 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1izi s LEU 76 Cb -0.14 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1izi s LEU 76 CO 0.04 0.34 -0.12 -0.69 0.23 0.00 0.00 176.35 176.15 1izi s VAL 77 N -1.11 1.07 -2.06 -1.59 1.01 0.61 -0.00 120.40 118.33 1izi s VAL 77 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1izi s VAL 77 Cb -0.12 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1izi s VAL 77 CO 0.09 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1izi n GLY 78 N 3.64 -0.94 1.76 4.51 0.00 -0.80 0.37 105.19 113.73 1izi n GLY 78 Ca -0.22 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 1izi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1izi n PRO 79 N 0.00 1.52 -2.36 1.61 -0.04 -1.26 -3.52 135.00 130.94 1izi n PRO 79 Ca 0.00 -0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 62.55 1izi n PRO 79 Cb 0.00 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1izi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1izi s THR 80 N 0.51 3.30 -0.55 0.52 -1.32 -1.26 -4.89 115.64 111.95 1izi s THR 80 Ca 0.35 1.10 0.22 0.00 -1.21 0.00 0.00 61.69 62.15 1izi s THR 80 Cb 0.17 -3.62 0.22 0.00 -1.51 0.00 0.00 72.50 67.76 1izi s THR 80 CO -0.00 0.11 1.66 -0.81 -2.21 0.00 0.00 174.62 173.37 1izi n PRO 81 N 0.19 0.16 -3.62 7.08 -0.04 -1.26 -4.61 135.00 132.90 1izi n PRO 81 Ca 0.04 0.41 -0.15 0.00 -0.04 0.00 0.00 63.50 63.75 1izi n PRO 81 Cb 0.47 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 1izi n PRO 81 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1izi s THR 82 N -3.28 0.01 0.03 0.52 -1.32 -1.26 -5.08 115.64 105.25 1izi s THR 82 Ca 0.04 -0.06 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 1izi s THR 82 Cb 0.09 -0.89 -0.06 0.00 -1.51 0.00 0.00 72.50 70.13 1izi s THR 82 CO 0.36 -0.03 1.46 0.20 -2.21 0.00 0.00 174.62 174.39 1izi s ASN 83 N -0.49 6.79 -0.04 8.08 0.01 -1.26 -4.72 114.94 123.31 1izi s ASN 83 Ca -0.06 2.22 0.03 0.00 -0.71 0.00 0.00 52.86 54.34 1izi s ASN 83 Cb -0.03 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1izi s ASN 83 CO 0.05 -0.75 -0.13 0.68 -1.51 0.00 0.00 177.10 175.44 1izi s VAL 84 N 2.32 1.10 -0.35 1.60 -7.23 0.89 -1.57 120.40 117.16 1izi s VAL 84 Ca 0.66 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 60.16 1izi s VAL 84 Cb -0.34 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 1izi s VAL 84 CO 0.28 0.34 0.43 -0.63 -0.31 0.00 0.00 175.10 175.20 1izi s ILE 85 N 0.31 5.10 0.55 -0.62 -1.09 0.24 -1.37 121.20 124.32 1izi s ILE 85 Ca -0.07 0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.55 1izi s ILE 85 Cb -0.12 -3.89 0.10 0.00 -1.58 0.00 0.00 42.46 36.97 1izi s ILE 85 CO 0.02 -0.15 0.76 0.61 -1.23 0.00 0.00 174.94 174.94 1izi n GLY 86 N 4.89 1.35 0.22 6.18 0.00 -1.10 -1.38 105.19 115.35 1izi n GLY 86 Ca -0.07 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.88 1izi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1izi h ARG 87 N 0.00 0.00 -0.97 1.61 3.08 -0.16 -0.87 114.38 117.07 1izi h ARG 87 Ca -0.25 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.98 1izi h ARG 87 Cb 1.05 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.01 1izi h ARG 87 CO 0.31 0.19 0.61 -2.95 -1.07 0.00 0.00 179.97 177.06 1izi h ASN 88 N 0.00 0.66 0.23 7.04 -1.07 -1.59 -1.52 115.58 119.33 1izi h ASN 88 Ca -0.00 0.07 -0.34 0.00 0.07 0.00 0.00 56.30 56.10 1izi h ASN 88 Cb 0.33 -0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.48 1izi h ASN 88 CO 0.02 0.26 -2.06 0.18 0.07 0.00 0.00 177.43 175.90 1izi n LEU 89 N -4.65 0.78 -0.28 6.14 4.77 -0.58 -4.15 117.00 119.02 1izi n LEU 89 Ca 0.21 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 1izi n LEU 89 Cb 0.60 0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.92 1izi n LEU 89 CO 0.25 0.51 1.18 -0.07 -1.33 0.00 0.00 177.39 177.93 1izi h LEU 90 N 0.01 0.82 -0.97 2.23 3.38 -0.68 -0.54 115.31 119.56 1izi h LEU 90 Ca -0.42 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1izi h LEU 90 Cb 2.11 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.60 1izi h LEU 90 CO 0.05 0.57 0.62 0.71 0.09 0.00 0.00 178.44 180.47 1izi h THR 91 N 0.97 1.04 0.00 0.22 1.35 -1.49 -1.04 112.91 113.95 1izi h THR 91 Ca 0.31 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1izi h THR 91 Cb 0.01 -0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 66.28 1izi h THR 91 CO -0.11 0.20 -0.08 1.56 -0.25 0.00 0.00 175.52 176.84 1izi h GLN 92 N 1.09 0.00 -0.24 4.72 4.20 -1.27 -1.02 115.11 122.60 1izi h GLN 92 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1izi h GLN 92 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1izi h GLN 92 CO -0.19 0.08 0.00 0.44 -0.67 0.00 0.00 178.83 178.48 1izi n ILE 93 N -3.22 0.29 -2.37 2.54 -5.35 -0.92 -4.94 119.36 105.40 1izi n ILE 93 Ca 0.00 -0.62 -0.02 0.00 -0.27 0.00 0.00 62.75 61.84 1izi n ILE 93 Cb 0.34 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1izi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1izi n GLY 94 N 1.42 0.58 3.74 3.28 0.00 -0.39 -5.00 105.19 108.83 1izi n GLY 94 Ca 0.17 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1izi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1izi s THR 96 N 0.16 2.05 0.06 0.00 -4.23 -1.26 -4.73 115.64 107.71 1izi s THR 96 Ca 0.36 -2.22 -0.10 0.00 -1.18 0.00 0.00 61.69 58.55 1izi s THR 96 Cb -0.19 -2.10 -0.06 0.00 1.34 0.00 0.00 72.50 71.49 1izi s THR 96 CO 0.20 -0.44 0.38 -0.76 -0.54 0.00 0.00 174.62 173.45 1izi s LEU 97 N -3.22 4.36 -0.05 4.79 1.43 -1.26 -5.08 118.68 119.64 1izi s LEU 97 Ca 0.24 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1izi s LEU 97 Cb -0.04 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.29 1izi s LEU 97 CO 0.10 0.19 0.13 0.20 0.23 0.00 0.00 176.35 177.20 1izi s ASN 98 N -1.71 -0.12 0.00 2.29 0.01 -1.26 -5.29 114.94 108.87 1izi s ASN 98 Ca 0.32 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.73 1izi s ASN 98 Cb -0.14 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.74 1izi s ASN 98 CO 0.17 -0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.90