#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aid s GLN 2 N 0.00 2.72 -0.41 0.54 0.74 -1.26 -5.07 119.66 116.93 3aid s GLN 2 Ca 0.00 -1.11 -0.11 0.00 0.05 0.00 0.00 55.36 54.19 3aid s GLN 2 Cb 0.00 -3.48 0.06 0.00 1.10 0.00 0.00 33.01 30.68 3aid s GLN 2 CO 0.00 -0.63 0.26 0.42 -0.55 0.00 0.00 175.29 174.79 3aid s ILE 3 N 1.44 4.54 0.29 -2.34 1.01 -1.26 -5.11 121.20 119.78 3aid s ILE 3 Ca -0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 60.65 59.32 3aid s ILE 3 Cb -0.19 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 3aid s ILE 3 CO 0.03 -0.41 0.81 0.42 0.00 0.00 0.00 174.94 175.79 3aid s THR 4 N 1.51 4.48 -0.37 2.92 -4.23 -1.26 -5.04 115.64 113.66 3aid s THR 4 Ca 0.03 1.37 0.07 0.00 -1.18 0.00 0.00 61.69 61.98 3aid s THR 4 Cb -0.22 -3.81 0.61 0.00 1.34 0.00 0.00 72.50 70.42 3aid s THR 4 CO 0.05 0.05 1.64 0.18 -0.54 0.00 0.00 174.62 176.00 3aid n LEU 5 N 0.30 5.50 0.16 4.79 7.99 -1.26 -4.18 117.00 130.29 3aid n LEU 5 Ca 0.01 -2.86 0.13 0.00 -0.01 0.00 0.00 56.01 53.28 3aid n LEU 5 Cb 0.52 -0.72 0.46 0.00 -0.11 0.00 0.00 43.42 43.57 3aid n LEU 5 CO 0.42 0.76 0.89 -0.50 -1.51 0.00 0.00 177.39 177.45 3aid h TRP 6 N 2.01 0.00 -2.41 -1.77 4.06 -2.06 -3.43 115.95 112.34 3aid h TRP 6 Ca 0.27 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.60 3aid h TRP 6 Cb 2.14 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 30.15 3aid h TRP 6 CO 1.11 0.00 -0.77 0.15 -3.56 0.00 0.00 178.44 175.37 3aid s LYS 7 N -3.30 1.65 0.30 0.49 1.02 -1.26 -5.12 119.74 113.52 3aid s LYS 7 Ca 0.06 -1.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.03 3aid s LYS 7 Cb 0.10 -1.78 -0.12 0.00 -0.52 0.00 0.00 37.83 35.50 3aid s LYS 7 CO 0.52 0.34 1.47 0.54 -0.92 0.00 0.00 175.35 177.31 3aid n ARG 8 N -0.44 2.43 -2.17 1.68 1.74 -1.26 -4.88 116.66 113.75 3aid n ARG 8 Ca -0.07 0.86 -0.31 0.00 -0.77 0.00 0.00 57.85 57.57 3aid n ARG 8 Cb 0.59 -2.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.42 3aid n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3aid s PRO 9 N -1.02 2.81 -0.23 5.56 0.04 -1.26 -4.93 135.00 135.96 3aid s PRO 9 Ca 0.61 -1.01 -0.08 0.00 0.04 0.00 0.00 61.00 60.56 3aid s PRO 9 Cb -0.54 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 28.72 3aid s PRO 9 CO 0.54 -3.42 0.09 -0.51 0.04 0.00 0.00 177.00 173.74 3aid s LEU 10 N 9.31 3.73 0.37 -3.56 1.43 -1.26 -0.89 118.68 127.82 3aid s LEU 10 Ca 0.65 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 3aid s LEU 10 Cb -0.02 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 3aid s LEU 10 CO 0.06 0.05 0.04 0.68 0.23 0.00 0.00 176.35 177.42 3aid s VAL 11 N 1.11 2.38 -0.13 -1.59 -7.23 0.21 -4.93 120.40 110.21 3aid s VAL 11 Ca 0.05 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.18 3aid s VAL 11 Cb -0.14 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 3aid s VAL 11 CO 0.04 -0.11 0.21 -0.89 -0.31 0.00 0.00 175.10 174.03 3aid s THR 12 N -2.59 5.38 0.15 5.32 2.01 -1.26 -0.25 115.64 124.40 3aid s THR 12 Ca 0.36 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.81 3aid s THR 12 Cb 0.03 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3aid s THR 12 CO 0.20 0.53 -0.11 0.27 -0.69 0.00 0.00 174.62 174.81 3aid s ILE 13 N -0.40 3.19 -0.20 1.82 -4.36 0.11 -3.28 121.20 118.08 3aid s ILE 13 Ca 0.15 -1.55 -0.02 0.00 -0.26 0.00 0.00 60.65 58.97 3aid s ILE 13 Cb -0.13 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.04 3aid s ILE 13 CO 0.04 -0.03 -0.11 -0.60 0.24 0.00 0.00 174.94 174.48 3aid s ARG 14 N -2.60 3.23 -0.04 0.37 3.52 -0.19 -1.05 118.95 122.19 3aid s ARG 14 Ca 0.23 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3aid s ARG 14 Cb -0.10 -2.83 0.02 0.00 -1.56 0.00 0.00 34.95 30.49 3aid s ARG 14 CO 0.14 -0.18 -0.04 -1.50 -0.81 0.00 0.00 175.30 172.91 3aid s ILE 15 N 1.35 0.51 -1.74 4.11 2.07 0.26 -1.80 121.20 125.96 3aid s ILE 15 Ca 0.05 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 3aid s ILE 15 Cb -0.14 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 41.91 3aid s ILE 15 CO -0.06 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 3aid n GLY 16 N 4.09 -0.04 3.45 1.50 0.00 -1.26 0.11 105.19 113.04 3aid n GLY 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3aid n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aid n GLY 17 N -0.86 2.71 3.80 -0.02 0.00 -1.26 -5.04 105.19 104.52 3aid n GLY 17 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 3aid n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aid s GLN 18 N 0.00 4.38 -0.49 1.61 -1.52 0.12 -5.07 119.66 118.69 3aid s GLN 18 Ca 0.00 0.98 -0.16 0.00 -1.95 0.00 0.00 55.36 54.23 3aid s GLN 18 Cb 0.00 -3.06 0.07 0.00 -0.22 0.00 0.00 33.01 29.81 3aid s GLN 18 CO 0.00 0.48 0.47 -1.17 -0.25 0.00 0.00 175.29 174.82 3aid s LEU 19 N -1.58 5.49 0.28 2.90 2.96 -1.26 -0.58 118.68 126.89 3aid s LEU 19 Ca 0.39 -1.26 0.12 0.00 -0.22 0.00 0.00 54.13 53.16 3aid s LEU 19 Cb -0.19 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 3aid s LEU 19 CO 0.23 -0.73 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.80 3aid s LYS 20 N 1.91 1.73 -0.12 1.98 1.02 -0.21 -4.97 119.74 121.07 3aid s LYS 20 Ca 0.07 -1.73 -0.15 0.00 0.02 0.00 0.00 55.97 54.18 3aid s LYS 20 Cb -0.23 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 3aid s LYS 20 CO 0.08 0.34 0.37 -2.00 -0.92 0.00 0.00 175.35 173.22 3aid s GLU 21 N -3.49 4.23 0.17 1.68 2.56 -1.26 0.09 118.70 122.68 3aid s GLU 21 Ca 0.30 0.26 0.04 0.00 0.00 0.00 0.00 54.97 55.57 3aid s GLU 21 Cb -0.05 -3.40 -0.05 0.00 2.00 0.00 0.00 34.13 32.63 3aid s GLU 21 CO 0.15 0.27 -0.06 0.00 -0.56 0.00 0.00 175.26 175.06 3aid s ALA 22 N 0.32 1.50 -0.14 6.30 0.00 0.65 -4.26 121.76 126.13 3aid s ALA 22 Ca 0.21 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 3aid s ALA 22 Cb -0.14 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3aid s ALA 22 CO 0.07 -0.18 -0.06 -1.17 0.00 0.00 0.00 175.76 174.43 3aid s LEU 23 N -3.20 3.14 -0.37 0.00 2.96 0.77 0.66 118.68 122.63 3aid s LEU 23 Ca 0.20 -0.15 -0.25 0.00 -0.22 0.00 0.00 54.13 53.71 3aid s LEU 23 Cb 0.04 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 45.01 3aid s LEU 23 CO 0.03 0.20 0.91 -0.76 -1.32 0.00 0.00 176.35 175.40 3aid s LEU 24 N 0.18 4.01 -0.55 -0.68 1.43 -0.07 -1.07 118.68 121.95 3aid s LEU 24 Ca -0.03 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 3aid s LEU 24 Cb -0.14 -3.23 0.16 0.00 0.03 0.00 0.00 46.19 43.02 3aid s LEU 24 CO 0.03 -0.85 0.39 -0.62 0.23 0.00 0.00 176.35 175.53 3aid s ASP 25 N 1.89 3.36 0.62 2.29 -1.08 -0.64 -4.77 116.67 118.34 3aid s ASP 25 Ca 0.37 -3.34 0.32 0.00 -0.52 0.00 0.00 52.55 49.38 3aid s ASP 25 Cb -0.12 -1.09 1.78 0.00 -1.46 0.00 0.00 42.92 42.03 3aid s ASP 25 CO 0.19 -0.15 2.10 0.71 0.52 0.00 0.00 175.17 178.54 3aid h THR 26 N 4.65 0.29 -0.16 1.71 1.35 -1.93 -0.74 112.91 118.08 3aid h THR 26 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3aid h THR 26 Cb 0.84 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3aid h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3aid n GLY 27 N -1.32 -0.10 3.63 5.82 0.00 -1.26 -4.75 105.19 107.22 3aid n GLY 27 Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 3aid n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aid s ALA 28 N -1.80 3.56 0.37 4.61 0.00 -0.28 -4.99 121.76 123.22 3aid s ALA 28 Ca 0.23 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.30 3aid s ALA 28 Cb 0.12 -2.32 0.69 0.00 0.00 0.00 0.00 23.12 21.62 3aid s ALA 28 CO 0.18 -0.26 2.00 -0.44 0.00 0.00 0.00 175.76 177.24 3aid h ASP 29 N 7.68 0.61 -2.62 0.00 3.32 -1.86 0.19 116.42 123.74 3aid h ASP 29 Ca -0.37 -0.03 -0.53 0.00 0.02 0.00 0.00 57.03 56.11 3aid h ASP 29 Cb 1.17 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 3aid h ASP 29 CO 0.63 0.48 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.18 3aid s ASP 30 N -6.59 3.02 -0.25 6.45 1.01 -1.26 -2.88 116.67 116.17 3aid s ASP 30 Ca -0.09 -1.27 -0.09 0.00 0.71 0.00 0.00 52.55 51.81 3aid s ASP 30 Cb 0.17 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 3aid s ASP 30 CO 0.76 -0.41 0.13 -0.89 0.21 0.00 0.00 175.17 174.97 3aid s THR 31 N -2.96 4.91 -0.05 -1.27 2.01 -1.26 -3.09 115.64 113.92 3aid s THR 31 Ca 0.33 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3aid s THR 31 Cb 0.06 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.28 3aid s THR 31 CO 0.15 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 3aid s VAL 32 N 1.48 0.76 0.11 3.82 1.01 -0.62 -1.79 120.40 125.18 3aid s VAL 32 Ca 0.06 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3aid s VAL 32 Cb -0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3aid s VAL 32 CO 0.07 0.27 -0.14 -0.76 0.00 0.00 0.00 175.10 174.54 3aid s LEU 33 N 0.84 2.38 0.98 3.92 1.02 -0.55 -0.91 118.68 126.36 3aid s LEU 33 Ca -0.12 -0.78 -0.12 0.00 0.02 0.00 0.00 54.13 53.13 3aid s LEU 33 Cb -0.15 -0.52 0.18 0.00 0.02 0.00 0.00 46.19 45.72 3aid s LEU 33 CO 0.01 -0.14 1.08 -1.61 0.02 0.00 0.00 176.35 175.71 3aid s GLU 34 N -2.52 0.55 -0.56 1.70 2.02 -1.26 -1.63 118.70 116.99 3aid s GLU 34 Ca 0.07 0.72 -0.40 0.00 0.02 0.00 0.00 54.97 55.37 3aid s GLU 34 Cb -0.06 -1.73 -0.18 0.00 0.10 0.00 0.00 34.13 32.26 3aid s GLU 34 CO 0.03 -2.70 2.24 0.39 0.02 0.00 0.00 175.26 175.24 3aid n GLU 35 N -4.19 0.16 -4.08 1.61 -0.58 -1.26 -4.59 120.64 107.71 3aid n GLU 35 Ca 0.06 0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 3aid n GLU 35 Cb 0.56 -1.66 -0.08 0.00 -0.57 0.00 0.00 31.44 29.69 3aid n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3aid s MET 36 N 6.55 1.16 -0.32 3.49 0.23 -1.26 -5.09 119.30 124.06 3aid s MET 36 Ca 1.21 -1.38 -0.15 0.00 -1.03 0.00 0.00 55.69 54.34 3aid s MET 36 Cb -1.36 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 32.25 3aid s MET 36 CO 0.60 -0.40 0.36 -0.80 -2.03 0.00 0.00 175.02 172.75 3aid s ASN 37 N -3.05 6.19 0.05 -1.18 0.01 -1.26 -5.07 114.94 110.64 3aid s ASN 37 Ca 0.26 -0.10 0.08 0.00 -0.71 0.00 0.00 52.86 52.38 3aid s ASN 37 Cb 0.05 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 3aid s ASN 37 CO 0.05 -0.30 -0.22 -0.22 -1.51 0.00 0.00 177.10 174.91 3aid s LEU 38 N 2.03 2.19 0.02 0.60 2.96 -1.26 -5.09 118.68 120.14 3aid s LEU 38 Ca 0.12 -0.56 -0.33 0.00 -0.22 0.00 0.00 54.13 53.15 3aid s LEU 38 Cb -0.16 -1.00 -0.11 0.00 0.50 0.00 0.00 46.19 45.41 3aid s LEU 38 CO 0.11 0.16 1.83 -2.65 -1.32 0.00 0.00 176.35 174.48 3aid n PRO 39 N 1.72 2.42 0.00 0.98 -0.02 -1.26 -4.92 135.00 133.91 3aid n PRO 39 Ca -0.17 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3aid n PRO 39 Cb 0.53 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3aid n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3aid n GLY 40 N 4.21 -0.36 3.81 -1.23 0.00 -1.26 -5.01 105.19 105.35 3aid n GLY 40 Ca 0.20 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3aid n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aid s LYS 41 N 0.00 4.00 0.04 1.61 1.02 -1.26 -5.05 119.74 120.09 3aid s LYS 41 Ca 0.00 0.38 0.05 0.00 0.02 0.00 0.00 55.97 56.42 3aid s LYS 41 Cb 0.00 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3aid s LYS 41 CO 0.00 0.58 -0.14 1.67 -0.92 0.00 0.00 175.35 176.54 3aid s TRP 42 N -0.70 1.22 -0.17 3.18 1.48 -1.26 -4.68 118.94 118.00 3aid s TRP 42 Ca 0.23 -0.37 -0.08 0.00 -1.06 0.00 0.00 56.10 54.83 3aid s TRP 42 Cb -0.16 -0.72 -0.04 0.00 -1.16 0.00 0.00 33.47 31.39 3aid s TRP 42 CO 0.12 0.04 0.10 0.21 -4.06 0.00 0.00 176.95 173.35 3aid s LYS 43 N -1.21 3.91 0.40 3.25 2.20 -0.71 -4.89 119.74 122.69 3aid s LYS 43 Ca 0.01 -0.26 -0.26 0.00 -0.36 0.00 0.00 55.97 55.10 3aid s LYS 43 Cb -0.08 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 3aid s LYS 43 CO 0.01 0.40 1.26 -1.25 -0.36 0.00 0.00 175.35 175.41 3aid s PRO 44 N 0.05 4.01 -0.14 4.03 0.04 -1.26 0.39 135.00 142.11 3aid s PRO 44 Ca 0.08 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 3aid s PRO 44 Cb -0.12 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.72 3aid s PRO 44 CO 0.00 -0.42 0.37 0.21 0.04 0.00 0.00 177.00 177.20 3aid s LYS 45 N -2.23 0.41 -0.22 4.56 2.20 -0.69 -4.90 119.74 118.86 3aid s LYS 45 Ca 0.57 0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 56.63 3aid s LYS 45 Cb -0.36 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.06 3aid s LYS 45 CO 0.46 -0.08 0.19 -1.64 -0.36 0.00 0.00 175.35 173.92 3aid s MET 46 N 0.50 4.12 -0.13 4.03 -1.94 -1.26 -0.38 119.30 124.24 3aid s MET 46 Ca -0.02 -0.17 -0.01 0.00 -1.71 0.00 0.00 55.69 53.77 3aid s MET 46 Cb -0.04 -3.51 -0.02 0.00 2.01 0.00 0.00 34.83 33.27 3aid s MET 46 CO -0.03 0.11 -0.11 0.96 -0.01 0.00 0.00 175.02 175.95 3aid s ILE 47 N 0.90 3.26 -0.16 2.53 -4.36 0.42 -4.96 121.20 118.82 3aid s ILE 47 Ca 0.10 -0.59 -0.15 0.00 -0.26 0.00 0.00 60.65 59.74 3aid s ILE 47 Cb -0.13 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3aid s ILE 47 CO 0.03 0.52 0.35 -0.83 0.24 0.00 0.00 174.94 175.26 3aid s GLY 48 N 0.25 2.22 0.27 6.27 0.00 -1.26 -1.12 107.32 113.95 3aid s GLY 48 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3aid s GLY 48 CO 0.05 0.57 0.03 0.61 0.00 0.00 0.00 173.10 174.36 3aid n GLY 49 N 3.47 3.71 0.22 0.20 0.00 0.25 -5.00 105.19 108.05 3aid n GLY 49 Ca -0.10 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.65 3aid n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3aid h ILE 50 N 1.04 1.21 -0.26 -0.61 3.07 -2.03 -2.44 117.51 117.49 3aid h ILE 50 Ca -0.21 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.21 3aid h ILE 50 Cb 0.66 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 3aid h ILE 50 CO 0.35 0.30 0.00 0.61 -1.05 0.00 0.00 178.15 178.36 3aid n GLY 51 N -0.69 0.39 0.00 0.16 0.00 -1.26 -5.04 105.19 98.75 3aid n GLY 51 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3aid n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aid n GLY 52 N 1.05 0.73 3.67 -0.02 0.00 -0.92 -5.10 105.19 104.59 3aid n GLY 52 Ca 0.13 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3aid n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3aid s PHE 53 N -2.60 3.36 0.27 1.61 0.08 -1.26 -0.58 117.98 118.85 3aid s PHE 53 Ca 0.00 0.56 0.08 0.00 0.12 0.00 0.00 56.93 57.69 3aid s PHE 53 Cb 0.00 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 3aid s PHE 53 CO 0.00 -0.00 0.16 0.96 -0.10 0.00 0.00 175.22 176.24 3aid s ILE 54 N 1.28 4.11 -0.07 0.64 -4.36 -0.27 -4.96 121.20 117.57 3aid s ILE 54 Ca 0.17 -1.52 -0.00 0.00 -0.26 0.00 0.00 60.65 59.05 3aid s ILE 54 Cb -0.15 -3.25 -0.03 0.00 1.25 0.00 0.00 42.46 40.28 3aid s ILE 54 CO 0.07 -0.33 -0.03 -0.75 0.24 0.00 0.00 174.94 174.14 3aid s LYS 55 N -3.82 2.84 0.06 0.37 2.20 -1.26 -0.43 119.74 119.69 3aid s LYS 55 Ca 0.33 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 3aid s LYS 55 Cb -0.07 -2.68 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 3aid s LYS 55 CO 0.24 0.68 -0.08 0.54 -0.36 0.00 0.00 175.35 176.36 3aid s VAL 56 N -0.87 0.64 -0.33 4.02 0.11 0.48 -4.47 120.40 119.98 3aid s VAL 56 Ca 0.13 -1.26 -0.09 0.00 -2.93 0.00 0.00 61.98 57.84 3aid s VAL 56 Cb -0.11 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 3aid s VAL 56 CO 0.03 -0.45 0.15 -0.13 -3.33 0.00 0.00 175.10 171.36 3aid s ARG 57 N -1.99 3.00 -0.34 1.54 0.52 -0.53 -1.71 118.95 119.43 3aid s ARG 57 Ca -0.05 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 53.92 3aid s ARG 57 Cb -0.07 -3.56 0.01 0.00 0.52 0.00 0.00 34.95 31.84 3aid s ARG 57 CO -0.00 -0.56 1.30 -1.14 0.02 0.00 0.00 175.30 174.92 3aid s GLN 58 N 1.53 3.82 -0.19 3.54 0.74 0.16 -1.33 119.66 127.94 3aid s GLN 58 Ca 0.02 1.10 -0.05 0.00 0.05 0.00 0.00 55.36 56.49 3aid s GLN 58 Cb -0.18 -3.91 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 3aid s GLN 58 CO 0.05 -1.24 -0.01 0.71 -0.55 0.00 0.00 175.29 174.25 3aid s TYR 59 N 4.61 3.05 0.29 1.67 2.02 -0.13 -1.75 117.35 127.11 3aid s TYR 59 Ca 0.56 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 3aid s TYR 59 Cb -0.15 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 3aid s TYR 59 CO 0.26 -0.16 0.45 -0.51 -1.57 0.00 0.00 175.55 174.01 3aid s ASP 60 N 0.79 6.30 -1.56 2.29 1.01 -1.26 -0.85 116.67 123.38 3aid s ASP 60 Ca 0.00 0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.39 3aid s ASP 60 Cb -0.14 -1.93 0.09 0.00 1.01 0.00 0.00 42.92 41.95 3aid s ASP 60 CO 0.02 -0.18 0.69 0.00 0.21 0.00 0.00 175.17 175.91 3aid n GLN 61 N -1.59 -3.64 -3.68 8.23 1.13 -1.16 -4.85 117.38 111.82 3aid n GLN 61 Ca -0.07 0.43 -0.36 0.00 -1.94 0.00 0.00 57.00 55.05 3aid n GLN 61 Cb 0.57 -4.96 -0.07 0.00 0.11 0.00 0.00 30.24 25.89 3aid n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3aid s ILE 62 N -3.54 5.35 -0.17 5.09 -1.09 -0.17 -4.66 121.20 122.02 3aid s ILE 62 Ca 0.45 0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 58.99 3aid s ILE 62 Cb -0.24 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3aid s ILE 62 CO 0.90 0.50 1.01 -2.84 -1.23 0.00 0.00 174.94 173.27 3aid s PRO 63 N -0.25 4.34 0.04 2.79 0.02 -1.26 -0.89 135.00 139.79 3aid s PRO 63 Ca 0.15 1.34 0.07 0.00 0.02 0.00 0.00 61.00 62.58 3aid s PRO 63 Cb -0.13 -3.59 -0.02 0.00 0.02 0.00 0.00 34.50 30.78 3aid s PRO 63 CO 0.04 -0.46 -0.19 0.14 -0.33 0.00 0.00 177.00 176.21 3aid s VAL 64 N 2.55 1.51 -0.21 3.83 -7.23 0.75 -4.58 120.40 117.02 3aid s VAL 64 Ca 0.46 -1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 3aid s VAL 64 Cb -0.17 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3aid s VAL 64 CO 0.12 0.14 0.01 -1.61 -0.31 0.00 0.00 175.10 173.46 3aid s GLU 65 N -1.17 3.61 -0.26 4.82 2.02 -0.74 -0.26 118.70 126.71 3aid s GLU 65 Ca 0.06 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.53 3aid s GLU 65 Cb -0.09 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 31.07 3aid s GLU 65 CO 0.02 -0.03 -0.07 0.42 0.02 0.00 0.00 175.26 175.62 3aid s ILE 66 N 1.12 2.65 -1.46 -1.63 1.01 0.37 -1.02 121.20 122.25 3aid s ILE 66 Ca 0.03 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 3aid s ILE 66 Cb -0.14 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 39.95 3aid s ILE 66 CO 0.02 0.07 0.75 0.00 0.00 0.00 0.00 174.94 175.78 3aid n GLY 68 N -1.49 1.53 3.61 0.00 0.00 -1.26 -5.01 105.19 102.56 3aid n GLY 68 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3aid n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3aid s HIS 69 N -3.64 3.19 0.07 1.61 4.02 0.09 -5.09 115.29 115.55 3aid s HIS 69 Ca 0.00 -0.01 -0.24 0.00 1.02 0.00 0.00 55.06 55.84 3aid s HIS 69 Cb 0.00 -2.02 -0.06 0.00 -1.02 0.00 0.00 32.58 29.47 3aid s HIS 69 CO 0.00 0.14 0.72 0.15 1.02 0.00 0.00 174.74 176.77 3aid s LYS 70 N 0.25 4.46 0.06 1.40 -0.14 -1.26 -0.47 119.74 124.03 3aid s LYS 70 Ca 0.02 1.01 0.00 0.00 -1.36 0.00 0.00 55.97 55.64 3aid s LYS 70 Cb -0.13 -3.32 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 3aid s LYS 70 CO 0.01 0.40 -0.05 0.00 -0.76 0.00 0.00 175.35 174.96 3aid s ALA 71 N -0.45 0.57 -0.07 5.17 0.00 0.64 -4.80 121.76 122.82 3aid s ALA 71 Ca 0.36 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 3aid s ALA 71 Cb -0.21 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3aid s ALA 71 CO 0.23 -0.25 -0.00 0.42 0.00 0.00 0.00 175.76 176.15 3aid s ILE 72 N -3.06 0.40 -0.02 0.00 1.01 -1.26 -0.18 121.20 118.09 3aid s ILE 72 Ca 0.02 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 3aid s ILE 72 Cb 0.02 -0.55 0.06 0.00 0.01 0.00 0.00 42.46 42.00 3aid s ILE 72 CO -0.06 0.26 0.80 0.61 0.00 0.00 0.00 174.94 176.56 3aid n GLY 73 N 5.09 0.34 3.72 6.18 0.00 -0.07 -4.82 105.19 115.63 3aid n GLY 73 Ca -0.08 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3aid n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aid s THR 74 N -2.05 3.80 -0.04 2.61 2.01 -1.26 -1.00 115.64 119.71 3aid s THR 74 Ca 0.19 1.35 0.03 0.00 0.31 0.00 0.00 61.69 63.57 3aid s THR 74 Cb -0.00 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.65 3aid s THR 74 CO -0.01 0.14 -0.11 0.68 -0.69 0.00 0.00 174.62 174.63 3aid s VAL 75 N 0.75 0.99 -0.19 3.82 -7.23 -0.03 -4.69 120.40 113.80 3aid s VAL 75 Ca 0.58 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 60.23 3aid s VAL 75 Cb -0.31 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 3aid s VAL 75 CO 0.31 0.31 0.10 -0.76 -0.31 0.00 0.00 175.10 174.75 3aid s LEU 76 N 0.41 4.00 -0.07 1.32 1.02 -0.74 -0.95 118.68 123.66 3aid s LEU 76 Ca -0.08 0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.25 3aid s LEU 76 Cb -0.12 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 3aid s LEU 76 CO 0.02 0.17 -0.19 0.68 0.02 0.00 0.00 176.35 177.05 3aid s VAL 77 N 0.42 2.62 -0.01 -1.59 -7.23 -0.44 -1.49 120.40 112.68 3aid s VAL 77 Ca 0.06 -0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 3aid s VAL 77 Cb -0.12 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.82 3aid s VAL 77 CO -0.01 0.56 0.18 0.61 -0.31 0.00 0.00 175.10 176.14 3aid n GLY 78 N 2.91 0.45 2.66 2.32 0.00 -0.65 -1.45 105.19 111.44 3aid n GLY 78 Ca -0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 3aid n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3aid n PRO 79 N -0.13 2.96 -3.85 1.61 -0.04 -1.26 -4.04 135.00 130.24 3aid n PRO 79 Ca 0.01 -2.49 -0.32 0.00 -0.04 0.00 0.00 63.50 60.66 3aid n PRO 79 Cb 0.08 -3.18 -0.04 0.00 -0.04 0.00 0.00 33.50 30.31 3aid n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3aid s THR 80 N 3.07 5.35 0.18 0.52 -1.32 -1.26 -5.03 115.64 117.15 3aid s THR 80 Ca 0.52 -0.21 -0.13 0.00 -1.21 0.00 0.00 61.69 60.65 3aid s THR 80 Cb 0.15 -3.61 0.07 0.00 -1.51 0.00 0.00 72.50 67.60 3aid s THR 80 CO -0.08 0.17 1.83 -0.65 -2.21 0.00 0.00 174.62 173.69 3aid h PRO 81 N 3.24 0.66 -5.58 7.08 0.11 -1.98 -3.46 132.00 132.08 3aid h PRO 81 Ca -0.46 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 3aid h PRO 81 Cb 1.17 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.00 3aid h PRO 81 CO 0.73 0.44 -0.62 0.14 -0.21 0.00 0.00 178.00 178.48 3aid s VAL 82 N -6.14 1.80 0.03 3.15 -7.23 -1.26 -5.10 120.40 105.64 3aid s VAL 82 Ca -0.13 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.69 3aid s VAL 82 Cb 0.13 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3aid s VAL 82 CO 0.74 -0.06 1.11 0.20 -0.31 0.00 0.00 175.10 176.78 3aid s ASN 83 N -3.61 7.19 -0.21 4.85 0.01 -1.26 -4.74 114.94 117.18 3aid s ASN 83 Ca 0.34 1.86 -0.03 0.00 -0.71 0.00 0.00 52.86 54.32 3aid s ASN 83 Cb 0.08 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 3aid s ASN 83 CO 0.16 -0.40 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.66 3aid s ILE 84 N 1.14 3.26 -0.31 0.60 1.01 -0.09 -0.16 121.20 126.65 3aid s ILE 84 Ca 0.56 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 3aid s ILE 84 Cb -0.26 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3aid s ILE 84 CO 0.28 0.44 0.26 -0.63 0.00 0.00 0.00 174.94 175.29 3aid s ILE 85 N 1.32 5.26 0.54 2.92 -1.09 -0.23 -1.58 121.20 128.34 3aid s ILE 85 Ca 0.04 0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.61 3aid s ILE 85 Cb -0.14 -3.66 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 3aid s ILE 85 CO -0.03 0.10 0.75 0.61 -1.23 0.00 0.00 174.94 175.14 3aid n GLY 86 N 5.00 1.62 0.40 6.18 0.00 -1.18 -1.62 105.19 115.59 3aid n GLY 86 Ca -0.12 -2.16 0.22 0.00 0.00 0.00 0.00 46.02 43.96 3aid n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3aid h ARG 87 N 0.00 0.00 -0.51 1.61 3.08 -0.51 -2.82 114.38 115.22 3aid h ARG 87 Ca -0.25 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.84 3aid h ARG 87 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3aid h ARG 87 CO 0.33 0.00 0.34 -2.95 -1.07 0.00 0.00 179.97 176.62 3aid h ASN 88 N 0.00 0.48 0.01 7.04 -1.07 -1.82 -1.72 115.58 118.50 3aid h ASN 88 Ca 0.26 -0.00 -0.39 0.00 0.07 0.00 0.00 56.30 56.23 3aid h ASN 88 Cb 1.17 -0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 37.25 3aid h ASN 88 CO -0.00 0.32 -2.44 0.18 0.07 0.00 0.00 177.43 175.56 3aid n LEU 89 N -4.47 2.93 -0.34 6.14 4.32 -1.15 -4.08 117.00 120.35 3aid n LEU 89 Ca 0.06 -0.10 0.22 0.00 -0.02 0.00 0.00 56.01 56.17 3aid n LEU 89 Cb 0.17 -0.92 0.48 0.00 -1.62 0.00 0.00 43.42 41.52 3aid n LEU 89 CO 0.35 0.93 1.20 -0.07 -1.22 0.00 0.00 177.39 178.57 3aid h LEU 90 N -0.01 0.51 -0.53 2.23 4.07 -1.49 -1.27 115.31 118.82 3aid h LEU 90 Ca -0.57 0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.34 3aid h LEU 90 Cb 1.90 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.67 3aid h LEU 90 CO -0.08 0.07 -0.51 0.71 -1.08 0.00 0.00 178.44 177.54 3aid h THR 91 N 0.43 1.31 -0.53 0.22 1.35 -1.51 -1.69 112.91 112.50 3aid h THR 91 Ca 0.63 -1.74 0.11 0.00 -0.55 0.00 0.00 66.41 64.86 3aid h THR 91 Cb 1.49 1.70 -0.09 0.00 -1.73 0.00 0.00 68.15 69.52 3aid h THR 91 CO -0.37 0.54 -0.03 1.56 -0.25 0.00 0.00 175.52 176.98 3aid h GLN 92 N 0.46 0.09 -0.02 4.72 4.20 -1.38 -2.72 115.11 120.45 3aid h GLN 92 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3aid h GLN 92 Cb 1.05 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.81 3aid h GLN 92 CO 0.10 0.06 0.00 0.44 -0.67 0.00 0.00 178.83 178.76 3aid n ILE 93 N -5.27 0.03 -0.46 2.54 -5.35 -1.12 -4.93 119.36 104.80 3aid n ILE 93 Ca 0.06 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3aid n ILE 93 Cb 0.29 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 3aid n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3aid n GLY 94 N 0.76 0.77 3.75 3.28 0.00 -1.03 -5.05 105.19 107.66 3aid n GLY 94 Ca 0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3aid n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aid s THR 96 N -0.24 0.89 -0.09 0.00 -4.23 -1.26 -4.75 115.64 105.96 3aid s THR 96 Ca 0.54 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 3aid s THR 96 Cb -0.37 -1.07 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 3aid s THR 96 CO 0.42 -0.41 0.42 -0.76 -0.54 0.00 0.00 174.62 173.75 3aid s LEU 97 N -1.99 4.33 -0.02 4.79 1.02 -1.26 -5.12 118.68 120.44 3aid s LEU 97 Ca -0.01 0.81 0.01 0.00 0.02 0.00 0.00 54.13 54.95 3aid s LEU 97 Cb -0.07 -2.60 0.01 0.00 0.02 0.00 0.00 46.19 43.55 3aid s LEU 97 CO 0.01 0.12 -0.01 0.20 0.02 0.00 0.00 176.35 176.69 3aid s ASN 98 N 0.06 0.33 0.00 2.29 0.01 -1.26 -5.31 114.94 111.06 3aid s ASN 98 Ca 0.23 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 3aid s ASN 98 Cb -0.15 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.39 3aid s ASN 98 CO 0.10 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.87