#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t7i s GLN 2 N 0.00 3.90 -0.18 0.54 0.74 -1.26 -5.11 119.66 118.30 1t7i s GLN 2 Ca 0.00 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1t7i s GLN 2 Cb 0.00 -3.21 0.02 0.00 1.10 0.00 0.00 33.01 30.92 1t7i s GLN 2 CO 0.00 0.20 -0.19 0.42 -0.55 0.00 0.00 175.29 175.16 1t7i s ILE 3 N 0.57 2.02 0.77 -2.34 1.01 -1.26 -5.12 121.20 116.85 1t7i s ILE 3 Ca 0.03 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1t7i s ILE 3 Cb -0.13 -1.84 0.09 0.00 0.01 0.00 0.00 42.46 40.60 1t7i s ILE 3 CO 0.01 0.52 1.09 0.42 0.00 0.00 0.00 174.94 176.99 1t7i s THR 4 N 1.30 2.17 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.38 1t7i s THR 4 Ca 0.05 -0.22 0.18 0.00 -1.18 0.00 0.00 61.69 60.52 1t7i s THR 4 Cb -0.13 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.05 1t7i s THR 4 CO -0.13 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.29 1t7i n LEU 5 N -3.12 2.32 0.22 4.79 4.77 -1.26 -4.55 117.00 120.17 1t7i n LEU 5 Ca 0.10 -3.10 0.10 0.00 -0.03 0.00 0.00 56.01 53.08 1t7i n LEU 5 Cb 0.60 -0.43 0.43 0.00 -2.33 0.00 0.00 43.42 41.70 1t7i n LEU 5 CO 0.51 0.76 0.80 -0.50 -1.33 0.00 0.00 177.39 177.63 1t7i h TRP 6 N 0.09 0.00 -2.02 -1.77 6.55 -2.07 -3.43 115.95 113.30 1t7i h TRP 6 Ca -0.00 0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.23 1t7i h TRP 6 Cb 1.01 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 29.18 1t7i h TRP 6 CO 0.07 0.21 -0.69 0.15 -1.05 0.00 0.00 178.44 177.13 1t7i s LYS 7 N -3.57 1.86 0.28 0.49 1.02 -1.26 -5.10 119.74 113.45 1t7i s LYS 7 Ca 0.01 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 53.87 1t7i s LYS 7 Cb 0.09 -1.79 -0.12 0.00 -0.52 0.00 0.00 37.83 35.49 1t7i s LYS 7 CO 0.64 0.20 1.47 0.54 -0.92 0.00 0.00 175.35 177.28 1t7i n ARG 8 N -0.78 2.34 -1.82 1.68 1.74 -1.26 -4.87 116.66 113.69 1t7i n ARG 8 Ca -0.05 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 1t7i n ARG 8 Cb 0.62 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1t7i n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t7i n PRO 9 N 1.84 2.89 -3.29 5.56 -0.04 -1.26 -4.94 135.00 135.76 1t7i n PRO 9 Ca 0.09 -2.67 -0.38 0.00 -0.04 0.00 0.00 63.50 60.50 1t7i n PRO 9 Cb 0.34 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 1t7i n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t7i s LEU 10 N 2.38 4.44 0.05 1.53 1.43 -1.26 -1.42 118.68 125.83 1t7i s LEU 10 Ca 0.48 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1t7i s LEU 10 Cb 0.13 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1t7i s LEU 10 CO -0.07 0.17 -0.04 0.68 0.23 0.00 0.00 176.35 177.32 1t7i s VAL 11 N -0.47 0.26 0.09 -1.59 -7.23 -0.27 -4.95 120.40 106.24 1t7i s VAL 11 Ca 0.28 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.59 1t7i s VAL 11 Cb -0.18 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.46 1t7i s VAL 11 CO 0.16 -0.86 0.77 -0.89 -0.31 0.00 0.00 175.10 173.97 1t7i s THR 12 N -3.28 4.60 0.19 5.32 2.01 -1.26 -1.02 115.64 122.20 1t7i s THR 12 Ca 0.02 1.66 0.11 0.00 0.31 0.00 0.00 61.69 63.79 1t7i s THR 12 Cb 0.03 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1t7i s THR 12 CO -0.07 0.42 -0.22 0.27 -0.69 0.00 0.00 174.62 174.33 1t7i s ILE 13 N -0.45 2.23 -0.17 1.82 -4.36 0.26 -2.18 121.20 118.34 1t7i s ILE 13 Ca 0.38 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1t7i s ILE 13 Cb -0.21 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1t7i s ILE 13 CO 0.24 -0.18 -0.15 -0.60 0.24 0.00 0.00 174.94 174.49 1t7i s ARG 14 N -2.75 3.17 -0.12 0.37 3.52 -0.38 -1.09 118.95 121.67 1t7i s ARG 14 Ca 0.20 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 1t7i s ARG 14 Cb -0.07 -2.66 0.06 0.00 -1.56 0.00 0.00 34.95 30.71 1t7i s ARG 14 CO 0.09 -0.08 0.18 -1.50 -0.81 0.00 0.00 175.30 173.18 1t7i s ILE 15 N 1.05 -0.28 -1.38 4.11 2.07 -0.20 -1.49 121.20 125.09 1t7i s ILE 15 Ca -0.01 0.24 -0.02 0.00 -1.41 0.00 0.00 60.65 59.44 1t7i s ILE 15 Cb -0.15 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.05 1t7i s ILE 15 CO -0.04 0.06 0.32 0.61 -1.91 0.00 0.00 174.94 173.98 1t7i n GLY 16 N 5.32 -0.33 2.98 1.50 0.00 -1.26 -1.27 105.19 112.13 1t7i n GLY 16 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1t7i n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t7i n GLY 17 N -1.26 1.57 3.89 -0.02 0.00 -1.26 -5.00 105.19 103.10 1t7i n GLY 17 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1t7i n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t7i s GLN 18 N -0.01 3.47 -0.20 1.61 -0.21 -0.39 -5.08 119.66 118.85 1t7i s GLN 18 Ca 0.00 -0.18 -0.12 0.00 0.02 0.00 0.00 55.36 55.08 1t7i s GLN 18 Cb 0.00 -3.15 -0.05 0.00 1.00 0.00 0.00 33.01 30.82 1t7i s GLN 18 CO 0.00 0.73 0.22 -0.51 -2.12 0.00 0.00 175.29 173.61 1t7i s LEU 19 N -1.43 4.19 0.11 2.90 1.43 -1.26 -1.03 118.68 123.60 1t7i s LEU 19 Ca 0.21 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1t7i s LEU 19 Cb -0.12 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1t7i s LEU 19 CO 0.11 0.10 -0.08 -0.54 0.23 0.00 0.00 176.35 176.16 1t7i s LYS 20 N 0.67 0.89 -0.10 1.70 1.02 -0.25 -4.98 119.74 118.70 1t7i s LYS 20 Ca 0.12 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 54.69 1t7i s LYS 20 Cb -0.13 -0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 36.75 1t7i s LYS 20 CO 0.02 0.03 0.23 -1.21 -0.92 0.00 0.00 175.35 173.51 1t7i s GLU 21 N -3.54 3.73 0.04 1.68 0.41 -1.26 -0.57 118.70 119.18 1t7i s GLU 21 Ca 0.11 0.04 -0.03 0.00 -0.41 0.00 0.00 54.97 54.69 1t7i s GLU 21 Cb 0.02 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1t7i s GLU 21 CO -0.02 0.66 0.02 0.00 -0.49 0.00 0.00 175.26 175.42 1t7i s ALA 22 N -0.76 0.19 -0.23 5.21 0.00 -0.19 -4.62 121.76 121.37 1t7i s ALA 22 Ca 0.17 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1t7i s ALA 22 Cb -0.13 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1t7i s ALA 22 CO 0.06 -0.31 0.23 -1.17 0.00 0.00 0.00 175.76 174.58 1t7i s LEU 23 N -2.29 4.13 -0.26 0.00 2.96 -0.04 -1.12 118.68 122.07 1t7i s LEU 23 Ca -0.03 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 1t7i s LEU 23 Cb 0.00 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 1t7i s LEU 23 CO -0.06 0.03 1.41 -0.76 -1.32 0.00 0.00 176.35 175.65 1t7i s LEU 24 N 1.10 3.91 -0.45 -0.68 1.43 -0.50 -0.52 118.68 122.97 1t7i s LEU 24 Ca 0.11 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1t7i s LEU 24 Cb -0.14 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.68 1t7i s LEU 24 CO 0.05 -1.12 0.23 -0.62 0.23 0.00 0.00 176.35 175.13 1t7i s ASP 25 N 3.24 3.82 0.32 2.29 -1.08 -0.45 -4.79 116.67 120.02 1t7i s ASP 25 Ca 0.61 -2.66 0.25 0.00 -0.52 0.00 0.00 52.55 50.24 1t7i s ASP 25 Cb -0.20 -1.16 1.12 0.00 -1.46 0.00 0.00 42.92 41.22 1t7i s ASP 25 CO 0.25 -0.27 1.76 0.71 0.52 0.00 0.00 175.17 178.14 1t7i h THR 26 N 5.37 0.00 -0.14 1.71 1.35 -1.93 -1.98 112.91 117.29 1t7i h THR 26 Ca -0.03 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1t7i h THR 26 Cb 0.92 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1t7i h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1t7i n GLY 27 N -0.31 0.21 3.54 5.82 0.00 -1.26 -4.78 105.19 108.41 1t7i n GLY 27 Ca 0.01 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1t7i n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t7i s ALA 28 N -1.83 3.33 0.25 4.61 0.00 -0.74 -4.97 121.76 122.41 1t7i s ALA 28 Ca 0.33 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1t7i s ALA 28 Cb 0.18 -2.15 0.30 0.00 0.00 0.00 0.00 23.12 21.45 1t7i s ALA 28 CO 0.27 -0.32 1.72 -0.44 0.00 0.00 0.00 175.76 176.99 1t7i h ASP 29 N 7.84 0.74 -2.71 0.00 3.32 -1.86 0.77 116.42 124.52 1t7i h ASP 29 Ca -0.37 -0.21 -0.62 0.00 0.02 0.00 0.00 57.03 55.85 1t7i h ASP 29 Cb 1.18 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 1t7i h ASP 29 CO 0.61 0.86 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.44 1t7i s ASP 30 N -6.69 3.96 -0.21 6.45 1.01 -1.26 -2.42 116.67 117.52 1t7i s ASP 30 Ca -0.09 -0.76 -0.18 0.00 0.71 0.00 0.00 52.55 52.23 1t7i s ASP 30 Cb 0.14 -0.54 -0.03 0.00 1.01 0.00 0.00 42.92 43.50 1t7i s ASP 30 CO 0.82 0.07 0.50 -0.89 0.21 0.00 0.00 175.17 175.88 1t7i s THR 31 N -2.00 5.11 -0.10 -1.27 2.01 -1.26 -3.50 115.64 114.63 1t7i s THR 31 Ca 0.26 0.90 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 1t7i s THR 31 Cb -0.07 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1t7i s THR 31 CO 0.15 0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.50 1t7i s VAL 32 N 1.69 0.89 0.12 3.82 1.01 -0.59 -1.22 120.40 126.12 1t7i s VAL 32 Ca 0.23 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1t7i s VAL 32 Cb -0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1t7i s VAL 32 CO 0.09 0.34 -0.05 -0.76 0.00 0.00 0.00 175.10 174.73 1t7i s LEU 33 N 1.72 3.21 0.90 3.92 1.43 0.44 -0.92 118.68 129.39 1t7i s LEU 33 Ca 0.04 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1t7i s LEU 33 Cb -0.13 -1.96 0.14 0.00 0.03 0.00 0.00 46.19 44.27 1t7i s LEU 33 CO -0.07 0.16 1.10 -1.61 0.23 0.00 0.00 176.35 176.16 1t7i s GLU 34 N -2.41 1.16 -0.14 1.70 2.02 -1.26 -1.39 118.70 118.38 1t7i s GLU 34 Ca 0.24 1.19 -0.41 0.00 0.02 0.00 0.00 54.97 56.01 1t7i s GLU 34 Cb -0.11 -1.77 -0.19 0.00 0.10 0.00 0.00 34.13 32.17 1t7i s GLU 34 CO 0.16 -2.42 1.36 -1.91 0.02 0.00 0.00 175.26 172.47 1t7i n GLU 35 N -4.05 0.42 -3.69 1.61 4.07 -1.25 -4.61 120.64 113.14 1t7i n GLU 35 Ca 0.09 0.15 -0.08 0.00 -0.06 0.00 0.00 57.16 57.26 1t7i n GLU 35 Cb 0.53 -1.71 -0.02 0.00 -0.06 0.00 0.00 31.44 30.18 1t7i n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1t7i s MET 36 N 1.36 1.45 -0.15 5.31 0.23 -1.26 -5.05 119.30 121.19 1t7i s MET 36 Ca 0.94 -0.72 -0.14 0.00 -1.03 0.00 0.00 55.69 54.74 1t7i s MET 36 Cb -1.23 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 32.57 1t7i s MET 36 CO 0.62 -0.65 0.30 -0.80 -2.03 0.00 0.00 175.02 172.46 1t7i s ASN 37 N -2.84 6.47 0.02 -1.18 0.02 -1.26 -5.06 114.94 111.11 1t7i s ASN 37 Ca 0.08 0.55 0.04 0.00 -1.02 0.00 0.00 52.86 52.51 1t7i s ASN 37 Cb -0.03 -2.19 -0.02 0.00 0.02 0.00 0.00 41.25 39.04 1t7i s ASN 37 CO -0.01 0.13 -0.12 -0.76 0.02 0.00 0.00 177.10 176.36 1t7i s LEU 38 N 0.30 2.11 0.44 0.60 1.43 -1.26 -5.09 118.68 117.21 1t7i s LEU 38 Ca 0.17 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1t7i s LEU 38 Cb -0.13 -0.55 -0.10 0.00 0.03 0.00 0.00 46.19 45.44 1t7i s LEU 38 CO 0.05 0.06 0.97 -2.16 0.23 0.00 0.00 176.35 175.50 1t7i s PRO 39 N -0.77 4.13 0.00 1.29 0.04 -1.26 -4.97 135.00 133.46 1t7i s PRO 39 Ca 0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1t7i s PRO 39 Cb -0.06 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1t7i s PRO 39 CO 0.00 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1t7i n GLY 40 N -0.61 -2.39 3.79 0.56 0.00 -1.26 -4.98 105.19 100.31 1t7i n GLY 40 Ca 0.07 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1t7i n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t7i s ARG 41 N -0.55 4.20 0.20 1.61 1.04 -1.26 -5.06 118.95 119.13 1t7i s ARG 41 Ca 0.00 1.36 0.02 0.00 -1.04 0.00 0.00 55.73 56.06 1t7i s ARG 41 Cb 0.00 -2.43 -0.05 0.00 -2.04 0.00 0.00 34.95 30.43 1t7i s ARG 41 CO 0.00 -0.08 0.03 1.67 -0.04 0.00 0.00 175.30 176.88 1t7i s TRP 42 N -1.83 1.33 -0.04 5.89 1.48 -1.26 -4.65 118.94 119.85 1t7i s TRP 42 Ca 0.59 -1.06 0.07 0.00 -1.06 0.00 0.00 56.10 54.64 1t7i s TRP 42 Cb -0.17 -0.76 -0.02 0.00 -1.16 0.00 0.00 33.47 31.36 1t7i s TRP 42 CO 0.22 -0.24 -0.25 0.15 -4.06 0.00 0.00 176.95 172.77 1t7i s LYS 43 N -3.95 2.34 0.30 3.25 -0.14 -0.48 -4.90 119.74 116.16 1t7i s LYS 43 Ca 0.28 -0.91 -0.30 0.00 -1.36 0.00 0.00 55.97 53.69 1t7i s LYS 43 Cb 0.07 -2.11 -0.11 0.00 -1.68 0.00 0.00 37.83 34.00 1t7i s LYS 43 CO 0.07 0.47 1.53 -2.14 -0.76 0.00 0.00 175.35 174.52 1t7i s PRO 44 N -0.39 4.16 0.15 -1.68 0.02 -1.26 -0.42 135.00 135.57 1t7i s PRO 44 Ca 0.03 2.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 1t7i s PRO 44 Cb -0.12 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 1t7i s PRO 44 CO 0.01 -0.55 0.18 0.21 -0.33 0.00 0.00 177.00 176.52 1t7i s LYS 45 N -0.85 1.06 -0.02 5.54 2.20 -0.56 -4.89 119.74 122.22 1t7i s LYS 45 Ca 0.60 -1.31 0.05 0.00 -0.36 0.00 0.00 55.97 54.95 1t7i s LYS 45 Cb -0.46 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.16 1t7i s LYS 45 CO 0.50 -0.35 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.32 1t7i s MET 46 N -4.01 1.54 0.12 4.03 -1.94 -1.26 -0.97 119.30 116.80 1t7i s MET 46 Ca 0.21 -0.64 0.03 0.00 -1.71 0.00 0.00 55.69 53.58 1t7i s MET 46 Cb 0.05 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 1t7i s MET 46 CO 0.01 0.36 -0.09 0.96 -0.01 0.00 0.00 175.02 176.26 1t7i s ILE 47 N -0.34 0.97 -0.04 2.53 -4.36 -0.68 -4.98 121.20 114.30 1t7i s ILE 47 Ca 0.05 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 1t7i s ILE 47 Cb -0.08 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.97 1t7i s ILE 47 CO -0.00 -0.72 -0.19 -0.83 0.24 0.00 0.00 174.94 173.44 1t7i s GLY 48 N -2.89 1.42 0.00 6.27 0.00 -1.26 -0.76 107.32 110.11 1t7i s GLY 48 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1t7i s GLY 48 CO -0.01 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 172.90 1t7i n GLY 49 N 2.43 6.67 0.33 0.20 0.00 -0.19 -4.97 105.19 109.66 1t7i n GLY 49 Ca -0.17 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.12 1t7i n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1t7i h ILE 50 N 0.00 0.97 -0.36 -0.61 2.10 -2.02 -2.89 117.51 114.71 1t7i h ILE 50 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1t7i h ILE 50 Cb 0.00 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 1t7i h ILE 50 CO 0.00 0.07 0.00 0.61 -1.08 0.00 0.00 178.15 177.75 1t7i n GLY 51 N -1.51 1.74 0.00 8.18 0.00 -1.26 -5.08 105.19 107.26 1t7i n GLY 51 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1t7i n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t7i n GLY 52 N 1.16 0.53 3.70 -0.02 0.00 -1.09 -5.10 105.19 104.36 1t7i n GLY 52 Ca 0.16 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1t7i n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t7i s PHE 53 N -0.29 3.10 0.17 1.61 0.40 -1.26 -1.02 117.98 120.69 1t7i s PHE 53 Ca 0.00 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.48 1t7i s PHE 53 Cb 0.00 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1t7i s PHE 53 CO 0.00 0.48 -0.14 0.96 0.70 0.00 0.00 175.22 177.22 1t7i s ILE 54 N -1.14 1.54 0.08 0.64 -4.36 0.06 -4.98 121.20 113.04 1t7i s ILE 54 Ca 0.21 -2.07 -0.21 0.00 -0.26 0.00 0.00 60.65 58.32 1t7i s ILE 54 Cb -0.12 -1.90 -0.07 0.00 1.25 0.00 0.00 42.46 41.63 1t7i s ILE 54 CO 0.12 -0.58 0.63 -0.54 0.24 0.00 0.00 174.94 174.81 1t7i s LYS 55 N -3.45 4.32 0.18 0.37 1.02 -1.26 -1.68 119.74 119.24 1t7i s LYS 55 Ca 0.18 0.86 0.01 0.00 0.02 0.00 0.00 55.97 57.05 1t7i s LYS 55 Cb -0.01 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 1t7i s LYS 55 CO 0.05 0.57 0.02 0.14 -0.92 0.00 0.00 175.35 175.20 1t7i s VAL 56 N -0.94 0.61 -0.22 3.17 -7.23 -0.14 -4.41 120.40 111.23 1t7i s VAL 56 Ca 0.31 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 1t7i s VAL 56 Cb -0.20 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1t7i s VAL 56 CO 0.21 -0.41 0.11 -0.13 -0.31 0.00 0.00 175.10 174.56 1t7i s ARG 57 N -3.94 3.95 -0.36 4.82 0.52 0.13 -1.50 118.95 122.58 1t7i s ARG 57 Ca 0.26 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.99 1t7i s ARG 57 Cb 0.06 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 1t7i s ARG 57 CO 0.05 0.08 0.31 -1.14 0.02 0.00 0.00 175.30 174.62 1t7i s GLN 58 N 0.95 3.41 -0.18 3.54 0.74 0.43 -0.60 119.66 127.96 1t7i s GLN 58 Ca 0.06 -0.63 -0.06 0.00 0.05 0.00 0.00 55.36 54.78 1t7i s GLN 58 Cb -0.14 -3.84 -0.03 0.00 1.10 0.00 0.00 33.01 30.10 1t7i s GLN 58 CO 0.03 -0.55 0.01 0.71 -0.55 0.00 0.00 175.29 174.94 1t7i s TYR 59 N 1.86 3.12 0.11 1.67 1.51 -0.25 -1.38 117.35 123.99 1t7i s TYR 59 Ca 0.08 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1t7i s TYR 59 Cb -0.17 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1t7i s TYR 59 CO 0.11 0.00 0.20 -0.51 -1.11 0.00 0.00 175.55 174.25 1t7i s ASP 60 N 0.50 6.09 -1.24 2.29 1.01 -1.26 -0.65 116.67 123.41 1t7i s ASP 60 Ca -0.00 0.13 -0.05 0.00 0.71 0.00 0.00 52.55 53.34 1t7i s ASP 60 Cb -0.14 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.01 1t7i s ASP 60 CO 0.02 0.11 1.06 0.00 0.21 0.00 0.00 175.17 176.57 1t7i n GLN 61 N -0.08 -7.08 -3.52 8.23 1.13 -1.09 -4.91 117.38 110.06 1t7i n GLN 61 Ca -0.07 0.81 -0.37 0.00 -1.94 0.00 0.00 57.00 55.43 1t7i n GLN 61 Cb 0.53 -5.75 -0.08 0.00 0.11 0.00 0.00 30.24 25.05 1t7i n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t7i s ILE 62 N -3.33 5.29 0.10 5.09 -1.09 -0.18 -4.70 121.20 122.39 1t7i s ILE 62 Ca 0.30 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.95 1t7i s ILE 62 Cb -0.13 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1t7i s ILE 62 CO 0.70 0.35 1.14 -2.84 -1.23 0.00 0.00 174.94 173.06 1t7i s PRO 63 N 0.76 4.51 -0.02 2.79 0.02 -1.26 -1.70 135.00 140.10 1t7i s PRO 63 Ca 0.16 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.91 1t7i s PRO 63 Cb -0.13 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1t7i s PRO 63 CO 0.05 -0.10 -0.07 0.42 -0.33 0.00 0.00 177.00 176.96 1t7i s ILE 64 N 0.54 0.63 -0.28 2.83 1.01 -0.56 -4.54 121.20 120.82 1t7i s ILE 64 Ca 0.54 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1t7i s ILE 64 Cb -0.29 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1t7i s ILE 64 CO 0.31 0.20 0.17 -0.70 0.00 0.00 0.00 174.94 174.93 1t7i s GLU 65 N 0.24 3.77 -0.34 2.79 2.12 -0.56 -1.17 118.70 125.55 1t7i s GLU 65 Ca -0.03 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 54.83 1t7i s GLU 65 Cb -0.08 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.77 1t7i s GLU 65 CO 0.00 -0.24 0.09 0.42 -0.54 0.00 0.00 175.26 175.00 1t7i s ILE 66 N 1.71 3.38 -1.44 -3.70 1.01 0.55 -1.25 121.20 121.45 1t7i s ILE 66 Ca 0.07 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 1t7i s ILE 66 Cb -0.16 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.36 1t7i s ILE 66 CO 0.09 -0.28 0.71 0.00 0.00 0.00 0.00 174.94 175.47 1t7i n GLY 68 N -1.44 1.08 3.80 0.00 0.00 -1.26 -5.03 105.19 102.35 1t7i n GLY 68 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1t7i n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t7i s HIS 69 N -2.70 3.49 0.04 1.61 4.02 -0.06 -5.06 115.29 116.63 1t7i s HIS 69 Ca 0.00 0.42 -0.21 0.00 1.02 0.00 0.00 55.06 56.28 1t7i s HIS 69 Cb 0.00 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.58 29.46 1t7i s HIS 69 CO 0.00 0.51 0.63 -1.59 1.02 0.00 0.00 174.74 175.31 1t7i s LYS 70 N -0.36 4.34 0.06 1.40 0.00 -1.26 -0.33 119.74 123.58 1t7i s LYS 70 Ca 0.11 0.82 0.02 0.00 0.00 0.00 0.00 55.97 56.92 1t7i s LYS 70 Cb -0.12 -3.31 -0.03 0.00 0.00 0.00 0.00 37.83 34.37 1t7i s LYS 70 CO 0.01 0.44 -0.07 0.00 0.00 0.00 0.00 175.35 175.74 1t7i s ALA 71 N -0.49 0.68 -0.11 0.59 0.00 -0.32 -4.63 121.76 117.47 1t7i s ALA 71 Ca 0.32 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1t7i s ALA 71 Cb -0.19 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1t7i s ALA 71 CO 0.19 -0.13 0.08 0.42 0.00 0.00 0.00 175.76 176.32 1t7i s ILE 72 N -2.32 -0.09 0.00 0.00 1.01 -1.26 -1.50 121.20 117.04 1t7i s ILE 72 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1t7i s ILE 72 Cb -0.04 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1t7i s ILE 72 CO -0.02 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1t7i n GLY 73 N 5.28 1.57 3.73 6.18 0.00 -0.69 -4.79 105.19 116.48 1t7i n GLY 73 Ca -0.05 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1t7i n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t7i s THR 74 N -2.45 4.35 -0.10 2.61 2.01 -1.26 -1.01 115.64 119.78 1t7i s THR 74 Ca 0.00 1.97 0.01 0.00 0.31 0.00 0.00 61.69 63.98 1t7i s THR 74 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.27 1t7i s THR 74 CO 0.00 0.31 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.45 1t7i s VAL 75 N -0.09 1.15 -0.14 3.82 1.01 0.17 -4.51 120.40 121.81 1t7i s VAL 75 Ca 0.47 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1t7i s VAL 75 Cb -0.25 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1t7i s VAL 75 CO 0.31 0.38 0.19 -0.76 0.00 0.00 0.00 175.10 175.22 1t7i s LEU 76 N 1.27 4.32 -0.13 3.92 1.43 -0.36 -1.09 118.68 128.04 1t7i s LEU 76 Ca -0.03 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1t7i s LEU 76 Cb -0.14 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1t7i s LEU 76 CO -0.04 0.28 -0.20 -0.69 0.23 0.00 0.00 176.35 175.93 1t7i s VAL 77 N -0.35 2.35 -1.45 -1.59 1.01 0.23 -0.42 120.40 120.19 1t7i s VAL 77 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1t7i s VAL 77 Cb -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1t7i s VAL 77 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1t7i n GLY 78 N 3.86 -1.05 2.28 4.51 0.00 -0.49 -0.69 105.19 113.62 1t7i n GLY 78 Ca -0.19 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1t7i n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t7i n PRO 79 N 0.00 3.54 -2.42 1.61 -0.04 -1.26 -3.77 135.00 132.66 1t7i n PRO 79 Ca 0.00 -2.15 -0.36 0.00 -0.04 0.00 0.00 63.50 60.96 1t7i n PRO 79 Cb 0.00 -2.67 -0.02 0.00 -0.04 0.00 0.00 33.50 30.77 1t7i n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1t7i s THR 80 N 1.66 3.48 0.35 0.52 -1.32 -1.26 -4.98 115.64 114.09 1t7i s THR 80 Ca 0.68 1.03 0.05 0.00 -1.21 0.00 0.00 61.69 62.24 1t7i s THR 80 Cb 0.20 -3.48 0.17 0.00 -1.51 0.00 0.00 72.50 67.88 1t7i s THR 80 CO -0.06 -0.09 1.90 1.55 -2.21 0.00 0.00 174.62 175.72 1t7i h PRO 81 N 1.92 0.50 -3.43 7.08 0.13 -1.97 -3.44 132.00 132.79 1t7i h PRO 81 Ca -0.49 -0.10 -0.11 0.00 -0.87 0.00 0.00 66.00 64.43 1t7i h PRO 81 Cb 1.23 -0.08 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 1t7i h PRO 81 CO 0.60 0.51 -0.36 -0.08 -0.23 0.00 0.00 178.00 178.44 1t7i s THR 82 N -5.03 0.09 0.16 1.56 -1.32 -1.26 -5.09 115.64 104.76 1t7i s THR 82 Ca -0.07 -0.77 -0.31 0.00 -1.21 0.00 0.00 61.69 59.32 1t7i s THR 82 Cb 0.16 -0.81 -0.11 0.00 -1.51 0.00 0.00 72.50 70.23 1t7i s THR 82 CO 0.76 -0.42 1.78 0.20 -2.21 0.00 0.00 174.62 174.72 1t7i s ASN 83 N -1.88 6.41 -0.03 8.08 0.01 -1.26 -4.76 114.94 121.51 1t7i s ASN 83 Ca -0.08 2.80 0.04 0.00 -0.71 0.00 0.00 52.86 54.92 1t7i s ASN 83 Cb -0.02 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1t7i s ASN 83 CO -0.02 -0.99 -0.16 0.68 -1.51 0.00 0.00 177.10 175.10 1t7i s VAL 84 N 2.01 1.34 -0.34 1.60 -7.23 -0.09 -0.86 120.40 116.83 1t7i s VAL 84 Ca 0.78 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 60.12 1t7i s VAL 84 Cb -0.48 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1t7i s VAL 84 CO 0.34 0.39 0.30 -0.63 -0.31 0.00 0.00 175.10 175.19 1t7i s ILE 85 N -0.11 5.23 0.40 -0.62 -1.09 0.33 -1.55 121.20 123.79 1t7i s ILE 85 Ca 0.00 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1t7i s ILE 85 Cb -0.09 -3.76 0.07 0.00 -1.58 0.00 0.00 42.46 37.09 1t7i s ILE 85 CO 0.01 -0.04 0.56 0.61 -1.23 0.00 0.00 174.94 174.84 1t7i n GLY 86 N 5.03 1.67 0.24 6.18 0.00 -1.23 -1.34 105.19 115.75 1t7i n GLY 86 Ca -0.11 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 43.86 1t7i n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t7i h ARG 87 N 0.00 0.00 -0.72 1.61 3.08 -0.76 -1.02 114.38 116.57 1t7i h ARG 87 Ca -0.19 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.97 1t7i h ARG 87 Cb 0.82 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 1t7i h ARG 87 CO 0.25 0.17 0.47 -2.95 -1.07 0.00 0.00 179.97 176.85 1t7i h ASN 88 N 0.00 0.51 0.00 7.04 -1.07 -1.74 -1.58 115.58 118.75 1t7i h ASN 88 Ca -0.00 0.01 -0.22 0.00 0.07 0.00 0.00 56.30 56.16 1t7i h ASN 88 Cb 0.40 -0.09 -0.04 0.00 -2.07 0.00 0.00 38.32 36.52 1t7i h ASN 88 CO 0.02 0.30 -2.17 0.18 0.07 0.00 0.00 177.43 175.84 1t7i n LEU 89 N -4.49 0.00 -0.21 6.14 4.77 -0.70 -4.15 117.00 118.37 1t7i n LEU 89 Ca 0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1t7i n LEU 89 Cb 0.37 0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.97 1t7i n LEU 89 CO 0.33 0.30 1.14 -0.07 -1.33 0.00 0.00 177.39 177.76 1t7i h LEU 90 N 0.00 0.88 -1.10 2.23 3.38 -0.95 -1.48 115.31 118.27 1t7i h LEU 90 Ca -0.33 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1t7i h LEU 90 Cb 1.73 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1t7i h LEU 90 CO 0.02 0.72 -0.03 0.71 0.09 0.00 0.00 178.44 179.94 1t7i h THR 91 N 0.99 1.22 -0.18 0.22 1.35 -1.49 -1.25 112.91 113.77 1t7i h THR 91 Ca 0.25 -0.91 -0.09 0.00 -0.55 0.00 0.00 66.41 65.11 1t7i h THR 91 Cb 0.04 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1t7i h THR 91 CO -0.04 0.31 -0.27 1.56 -0.25 0.00 0.00 175.52 176.83 1t7i h GLN 92 N 0.56 0.35 -0.19 4.72 4.20 -1.44 -2.33 115.11 120.98 1t7i h GLN 92 Ca 0.11 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1t7i h GLN 92 Cb 0.41 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1t7i h GLN 92 CO 0.02 0.60 0.00 0.44 -0.67 0.00 0.00 178.83 179.22 1t7i n ILE 93 N -4.12 0.24 -1.82 2.54 -5.35 -0.98 -4.93 119.36 104.95 1t7i n ILE 93 Ca -0.01 -0.40 -0.01 0.00 -0.27 0.00 0.00 62.75 62.07 1t7i n ILE 93 Cb 0.40 0.45 -0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1t7i n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t7i n GLY 94 N 1.17 0.36 3.71 3.28 0.00 -0.88 -5.01 105.19 107.82 1t7i n GLY 94 Ca 0.16 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1t7i n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t7i s THR 96 N 1.19 1.65 -0.11 0.00 -4.23 -1.26 -4.66 115.64 108.22 1t7i s THR 96 Ca 0.48 -2.14 -0.09 0.00 -1.18 0.00 0.00 61.69 58.76 1t7i s THR 96 Cb -0.20 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1t7i s THR 96 CO 0.24 -0.36 0.19 -0.76 -0.54 0.00 0.00 174.62 173.38 1t7i s LEU 97 N -3.41 4.38 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.50 1t7i s LEU 97 Ca 0.28 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1t7i s LEU 97 Cb 0.03 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1t7i s LEU 97 CO 0.11 0.36 0.02 0.20 0.23 0.00 0.00 176.35 177.27 1t7i s ASN 98 N -0.85 0.05 0.00 2.29 0.01 -1.26 -5.29 114.94 109.89 1t7i s ASN 98 Ca 0.16 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 1t7i s ASN 98 Cb -0.13 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1t7i s ASN 98 CO 0.05 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.79