#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3k s GLN 2 N 0.00 3.68 -0.19 -0.52 0.74 -1.26 -5.10 119.66 117.01 2q3k s GLN 2 Ca 0.00 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.04 2q3k s GLN 2 Cb 0.00 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 31.08 2q3k s GLN 2 CO 0.00 0.38 -0.18 0.42 -0.55 0.00 0.00 175.29 175.36 2q3k s ILE 3 N 0.03 2.04 0.83 -2.34 1.01 -1.26 -5.13 121.20 116.39 2q3k s ILE 3 Ca 0.04 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 2q3k s ILE 3 Cb -0.13 -1.89 0.12 0.00 0.01 0.00 0.00 42.46 40.58 2q3k s ILE 3 CO 0.01 0.46 1.18 0.42 0.00 0.00 0.00 174.94 177.02 2q3k s THR 4 N 1.28 2.06 -0.15 2.92 -4.23 -1.26 -5.02 115.64 111.25 2q3k s THR 4 Ca 0.03 -0.09 0.17 0.00 -1.18 0.00 0.00 61.69 60.62 2q3k s THR 4 Cb -0.14 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.05 2q3k s THR 4 CO -0.12 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.31 2q3k n LEU 5 N -3.36 2.40 -0.14 4.79 4.77 -1.26 -4.57 117.00 119.64 2q3k n LEU 5 Ca 0.11 -3.25 0.01 0.00 -0.03 0.00 0.00 56.01 52.84 2q3k n LEU 5 Cb 0.60 -0.45 0.28 0.00 -2.33 0.00 0.00 43.42 41.53 2q3k n LEU 5 CO 0.52 0.87 1.16 -0.50 -1.33 0.00 0.00 177.39 178.11 2q3k h TRP 6 N 0.25 0.80 -2.22 -1.77 -0.00 -2.07 -3.44 115.95 107.50 2q3k h TRP 6 Ca -0.00 -0.00 -0.56 0.00 -0.00 0.00 0.00 58.89 58.33 2q3k h TRP 6 Cb 1.01 -0.26 -0.13 0.00 -0.00 0.00 0.00 29.16 29.77 2q3k h TRP 6 CO 0.19 0.55 -0.63 0.15 -0.00 0.00 0.00 178.44 178.69 2q3k s LYS 7 N -5.60 1.77 0.18 0.49 1.02 -1.26 -5.11 119.74 111.22 2q3k s LYS 7 Ca -0.10 -1.96 -0.33 0.00 0.02 0.00 0.00 55.97 53.60 2q3k s LYS 7 Cb 0.17 -1.36 -0.13 0.00 -0.52 0.00 0.00 37.83 35.99 2q3k s LYS 7 CO 0.77 -0.03 1.63 0.54 -0.92 0.00 0.00 175.35 177.34 2q3k n ARG 8 N -0.78 2.38 -2.41 1.68 1.74 -1.26 -4.85 116.66 113.16 2q3k n ARG 8 Ca -0.04 0.86 -0.39 0.00 -0.77 0.00 0.00 57.85 57.50 2q3k n ARG 8 Cb 0.65 -2.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 2q3k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q3k n PRO 9 N 3.57 2.78 -3.46 5.56 -0.04 -1.26 -4.94 135.00 137.21 2q3k n PRO 9 Ca 0.16 -3.04 -0.38 0.00 -0.04 0.00 0.00 63.50 60.20 2q3k n PRO 9 Cb 0.31 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.17 2q3k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q3k s LEU 10 N 5.80 4.45 0.23 1.53 1.43 -1.26 -1.17 118.68 129.69 2q3k s LEU 10 Ca 0.57 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2q3k s LEU 10 Cb 0.03 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2q3k s LEU 10 CO 0.09 0.28 0.11 0.68 0.23 0.00 0.00 176.35 177.74 2q3k s VAL 11 N -0.85 0.28 -0.01 -1.59 -7.23 0.29 -4.94 120.40 106.35 2q3k s VAL 11 Ca 0.24 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 2q3k s VAL 11 Cb -0.17 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2q3k s VAL 11 CO 0.13 -0.02 0.73 -0.89 -0.31 0.00 0.00 175.10 174.75 2q3k s THR 12 N -3.96 4.90 0.10 5.32 2.01 -1.26 -1.01 115.64 121.74 2q3k s THR 12 Ca 0.38 1.53 0.09 0.00 0.31 0.00 0.00 61.69 64.01 2q3k s THR 12 Cb 0.07 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2q3k s THR 12 CO 0.12 0.31 -0.23 0.27 -0.69 0.00 0.00 174.62 174.40 2q3k s ILE 13 N 0.38 1.93 -0.08 1.82 -4.36 0.60 -2.56 121.20 118.95 2q3k s ILE 13 Ca 0.38 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 59.25 2q3k s ILE 13 Cb -0.19 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.80 2q3k s ILE 13 CO 0.20 0.06 -0.19 -0.13 0.24 0.00 0.00 174.94 175.13 2q3k s ARG 14 N -1.81 2.39 -0.05 0.37 0.52 -0.08 -0.73 118.95 119.57 2q3k s ARG 14 Ca 0.10 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 2q3k s ARG 14 Cb -0.10 -1.89 0.03 0.00 0.52 0.00 0.00 34.95 33.51 2q3k s ARG 14 CO 0.04 0.15 0.04 -1.50 0.02 0.00 0.00 175.30 174.05 2q3k s ILE 15 N 0.38 0.05 -1.71 1.52 2.07 -0.28 -0.62 121.20 122.62 2q3k s ILE 15 Ca -0.15 0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 59.22 2q3k s ILE 15 Cb -0.16 -0.27 0.16 0.00 0.13 0.00 0.00 42.46 42.32 2q3k s ILE 15 CO 0.06 0.20 0.78 0.61 -1.91 0.00 0.00 174.94 174.68 2q3k n GLY 16 N 5.16 -0.44 2.88 1.50 0.00 -1.26 -0.41 105.19 112.61 2q3k n GLY 16 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2q3k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3k n GLY 17 N -1.40 0.98 3.76 -0.02 0.00 -1.26 -5.02 105.19 102.23 2q3k n GLY 17 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2q3k n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2q3k s GLN 18 N -0.04 4.24 -0.20 1.61 -2.07 0.45 -5.06 119.66 118.59 2q3k s GLN 18 Ca 0.00 0.56 -0.04 0.00 -1.82 0.00 0.00 55.36 54.05 2q3k s GLN 18 Cb 0.00 -3.35 -0.02 0.00 -1.09 0.00 0.00 33.01 28.55 2q3k s GLN 18 CO 0.00 0.36 -0.03 -1.17 -1.32 0.00 0.00 175.29 173.13 2q3k s LEU 19 N -0.09 3.07 0.17 2.60 2.96 -1.26 -1.12 118.68 125.02 2q3k s LEU 19 Ca 0.27 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2q3k s LEU 19 Cb -0.17 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2q3k s LEU 19 CO 0.14 0.04 0.03 -0.54 -1.32 0.00 0.00 176.35 174.70 2q3k s LYS 20 N 1.13 1.11 -0.15 1.98 1.02 0.10 -5.00 119.74 119.92 2q3k s LYS 20 Ca 0.02 -1.54 -0.06 0.00 0.02 0.00 0.00 55.97 54.41 2q3k s LYS 20 Cb -0.15 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 2q3k s LYS 20 CO 0.00 -0.20 0.06 -2.00 -0.92 0.00 0.00 175.35 172.29 2q3k s GLU 21 N -3.98 3.66 0.04 1.68 2.12 -1.26 -0.29 118.70 120.67 2q3k s GLU 21 Ca 0.26 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.28 2q3k s GLU 21 Cb 0.07 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 2q3k s GLU 21 CO 0.05 0.45 -0.07 0.00 -0.54 0.00 0.00 175.26 175.15 2q3k s ALA 22 N -0.13 0.49 -0.13 6.30 0.00 -0.18 -4.25 121.76 123.85 2q3k s ALA 22 Ca 0.07 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 2q3k s ALA 22 Cb -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2q3k s ALA 22 CO 0.01 -0.04 0.78 -1.17 0.00 0.00 0.00 175.76 175.34 2q3k s LEU 23 N -1.48 4.22 -0.27 0.00 2.96 0.24 -0.55 118.68 123.80 2q3k s LEU 23 Ca -0.10 1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 2q3k s LEU 23 Cb -0.10 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.43 2q3k s LEU 23 CO 0.00 -0.29 1.12 -0.76 -1.32 0.00 0.00 176.35 175.10 2q3k s LEU 24 N 1.66 4.01 -0.41 -0.68 1.43 -0.32 -0.19 118.68 124.19 2q3k s LEU 24 Ca 0.38 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 2q3k s LEU 24 Cb -0.17 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.65 2q3k s LEU 24 CO 0.15 -0.83 0.23 -0.62 0.23 0.00 0.00 176.35 175.51 2q3k s ASP 25 N 1.70 3.40 0.53 2.29 3.68 -0.27 -4.77 116.67 123.24 2q3k s ASP 25 Ca 0.48 -2.48 0.31 0.00 2.13 0.00 0.00 52.55 52.99 2q3k s ASP 25 Cb -0.15 -0.81 1.41 0.00 -1.45 0.00 0.00 42.92 41.92 2q3k s ASP 25 CO 0.13 -0.28 2.02 0.71 0.13 0.00 0.00 175.17 177.88 2q3k h THR 26 N 5.17 0.27 -0.04 1.71 1.35 -1.93 -2.03 112.91 117.41 2q3k h THR 26 Ca 0.02 -0.60 -0.10 0.00 -0.55 0.00 0.00 66.41 65.17 2q3k h THR 26 Cb 0.94 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 2q3k h THR 26 CO 0.41 0.08 -0.44 1.23 -0.25 0.00 0.00 175.52 176.54 2q3k h GLY 27 N 1.52 0.09 -4.68 5.82 0.00 -1.94 -3.45 103.07 100.43 2q3k h GLY 27 Ca -0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 47.33 46.69 2q3k h GLY 27 CO 0.01 0.08 0.30 0.00 0.00 0.00 0.00 176.54 176.93 2q3k s ALA 28 N -4.04 3.26 0.17 3.60 0.00 -0.76 -4.93 121.76 119.05 2q3k s ALA 28 Ca -0.03 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 2q3k s ALA 28 Cb 0.14 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 20.09 2q3k s ALA 28 CO 0.75 -0.25 1.67 -0.44 0.00 0.00 0.00 175.76 177.49 2q3k h ASP 29 N 6.84 0.89 -2.41 0.00 3.32 -1.86 -0.34 116.42 122.86 2q3k h ASP 29 Ca -0.39 -0.24 -0.56 0.00 0.02 0.00 0.00 57.03 55.86 2q3k h ASP 29 Cb 1.20 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 2q3k h ASP 29 CO 0.76 0.90 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.72 2q3k s ASP 30 N -6.28 3.23 -0.21 6.45 1.01 -1.26 -2.65 116.67 116.95 2q3k s ASP 30 Ca -0.12 -1.26 -0.11 0.00 0.71 0.00 0.00 52.55 51.77 2q3k s ASP 30 Cb 0.13 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.75 2q3k s ASP 30 CO 0.82 -0.36 0.18 -0.89 0.21 0.00 0.00 175.17 175.12 2q3k s THR 31 N -2.87 5.36 -0.19 -1.27 2.01 -1.26 -3.51 115.64 113.91 2q3k s THR 31 Ca 0.33 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.59 2q3k s THR 31 Cb 0.05 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 69.09 2q3k s THR 31 CO 0.15 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.65 2q3k s VAL 32 N 0.74 1.73 0.02 3.82 1.01 -0.60 -0.71 120.40 126.41 2q3k s VAL 32 Ca 0.09 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2q3k s VAL 32 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2q3k s VAL 32 CO 0.02 0.24 0.01 -0.76 0.00 0.00 0.00 175.10 174.61 2q3k s LEU 33 N 1.37 3.55 0.97 3.92 1.43 0.11 -0.74 118.68 129.29 2q3k s LEU 33 Ca -0.00 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 2q3k s LEU 33 Cb -0.16 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.03 2q3k s LEU 33 CO -0.09 0.26 0.40 -1.84 0.23 0.00 0.00 176.35 175.31 2q3k n GLU 34 N 1.20 -0.49 -1.65 1.70 0.28 -1.26 -1.97 120.64 118.45 2q3k n GLU 34 Ca -0.13 -0.10 -0.49 0.00 -0.16 0.00 0.00 57.16 56.27 2q3k n GLU 34 Cb 0.52 -1.87 -0.05 0.00 1.43 0.00 0.00 31.44 31.48 2q3k n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2q3k n GLU 35 N -1.91 1.82 -3.57 3.44 -0.58 -1.24 -4.62 120.64 113.98 2q3k n GLU 35 Ca 0.06 0.66 -0.15 0.00 -0.42 0.00 0.00 57.16 57.31 2q3k n GLU 35 Cb 0.55 -2.40 -0.06 0.00 -0.57 0.00 0.00 31.44 28.95 2q3k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q3k s MET 36 N 1.58 0.87 -0.03 3.49 0.23 -1.26 -5.06 119.30 119.12 2q3k s MET 36 Ca 0.84 0.50 -0.30 0.00 -1.03 0.00 0.00 55.69 55.70 2q3k s MET 36 Cb -0.78 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 32.89 2q3k s MET 36 CO 0.45 -0.21 1.27 -0.80 -2.03 0.00 0.00 175.02 173.70 2q3k s ASN 37 N -0.57 6.98 0.18 -1.18 -0.87 -1.26 -5.03 114.94 113.18 2q3k s ASN 37 Ca -0.05 1.94 0.11 0.00 -1.57 0.00 0.00 52.86 53.29 2q3k s ASN 37 Cb -0.02 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 2q3k s ASN 37 CO 0.05 -0.63 -0.24 -0.76 -2.57 0.00 0.00 177.10 172.95 2q3k s LEU 38 N 2.19 2.41 0.64 0.60 1.43 -1.26 -5.13 118.68 119.57 2q3k s LEU 38 Ca 0.59 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2q3k s LEU 38 Cb -0.27 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2q3k s LEU 38 CO 0.24 0.11 1.06 -2.16 0.23 0.00 0.00 176.35 175.82 2q3k s PRO 39 N -2.57 3.15 0.00 1.29 0.04 -1.26 -4.97 135.00 130.68 2q3k s PRO 39 Ca 0.19 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2q3k s PRO 39 Cb -0.08 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2q3k s PRO 39 CO 0.09 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2q3k n GLY 40 N -1.46 0.71 3.77 0.56 0.00 -1.26 -4.95 105.19 102.56 2q3k n GLY 40 Ca 0.08 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2q3k n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3k s LYS 41 N -1.85 4.39 0.14 1.61 0.00 -1.26 -5.05 119.74 117.71 2q3k s LYS 41 Ca 0.00 2.16 0.07 0.00 0.00 0.00 0.00 55.97 58.20 2q3k s LYS 41 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 37.83 34.71 2q3k s LYS 41 CO 0.00 -0.14 -0.16 1.67 0.00 0.00 0.00 175.35 176.72 2q3k s TRP 42 N -1.15 1.58 0.09 1.78 1.48 -1.26 -4.58 118.94 116.88 2q3k s TRP 42 Ca 0.48 -0.52 0.08 0.00 -1.06 0.00 0.00 56.10 55.08 2q3k s TRP 42 Cb -0.39 -0.81 -0.03 0.00 -1.16 0.00 0.00 33.47 31.08 2q3k s TRP 42 CO 0.51 0.22 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.83 2q3k s LYS 43 N -2.74 1.18 0.44 3.25 -2.85 -1.01 -4.91 119.74 113.11 2q3k s LYS 43 Ca 0.12 -1.11 -0.25 0.00 -1.00 0.00 0.00 55.97 53.74 2q3k s LYS 43 Cb -0.05 -1.41 -0.08 0.00 -2.06 0.00 0.00 37.83 34.23 2q3k s LYS 43 CO 0.04 0.34 1.31 -2.14 0.10 0.00 0.00 175.35 175.00 2q3k s PRO 44 N -1.73 3.76 0.06 1.78 0.02 -1.26 -0.46 135.00 137.17 2q3k s PRO 44 Ca 0.07 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.20 2q3k s PRO 44 Cb -0.10 -2.61 -0.03 0.00 0.02 0.00 0.00 34.50 31.79 2q3k s PRO 44 CO 0.04 -0.67 0.05 0.21 -0.33 0.00 0.00 177.00 176.30 2q3k s LYS 45 N -2.45 0.69 -0.12 5.54 2.20 -0.59 -4.85 119.74 120.16 2q3k s LYS 45 Ca 0.61 -1.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2q3k s LYS 45 Cb -0.38 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2q3k s LYS 45 CO 0.48 -0.17 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.48 2q3k s MET 46 N -3.89 3.21 -0.04 4.03 -1.94 -1.26 -0.82 119.30 118.59 2q3k s MET 46 Ca 0.06 -0.78 0.06 0.00 -1.71 0.00 0.00 55.69 53.32 2q3k s MET 46 Cb 0.07 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.43 2q3k s MET 46 CO -0.10 0.19 -0.23 0.96 -0.01 0.00 0.00 175.02 175.82 2q3k s ILE 47 N 0.37 1.90 0.14 2.53 -4.36 -0.62 -4.97 121.20 116.18 2q3k s ILE 47 Ca -0.15 -1.00 -0.10 0.00 -0.26 0.00 0.00 60.65 59.15 2q3k s ILE 47 Cb -0.17 -1.59 -0.06 0.00 1.25 0.00 0.00 42.46 41.88 2q3k s ILE 47 CO 0.07 0.53 0.46 -0.83 0.24 0.00 0.00 174.94 175.41 2q3k s GLY 48 N -0.29 2.33 0.04 6.27 0.00 -1.26 -1.14 107.32 113.26 2q3k s GLY 48 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.40 2q3k s GLY 48 CO 0.02 -0.16 0.03 0.61 0.00 0.00 0.00 173.10 173.60 2q3k n GLY 49 N 0.48 3.90 0.35 0.20 0.00 0.80 -4.97 105.19 105.96 2q3k n GLY 49 Ca -0.04 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.39 2q3k n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2q3k h ILE 50 N 1.12 0.93 -0.01 -0.61 2.04 -2.03 -2.37 117.51 116.59 2q3k h ILE 50 Ca -0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2q3k h ILE 50 Cb 0.14 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2q3k h ILE 50 CO 0.04 0.09 -0.30 0.61 0.00 0.00 0.00 178.15 178.59 2q3k n GLY 51 N -1.50 -0.83 0.00 5.37 0.00 -1.26 -5.06 105.19 101.91 2q3k n GLY 51 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2q3k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3k n GLY 52 N 1.38 0.56 3.67 -0.02 0.00 -0.89 -5.10 105.19 104.79 2q3k n GLY 52 Ca 0.11 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 2q3k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3k s PHE 53 N -1.22 2.97 0.16 1.61 0.40 -1.26 -0.14 117.98 120.50 2q3k s PHE 53 Ca 0.00 -0.03 0.11 0.00 -0.60 0.00 0.00 56.93 56.41 2q3k s PHE 53 Cb 0.00 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2q3k s PHE 53 CO 0.00 0.47 -0.25 0.96 0.70 0.00 0.00 175.22 177.10 2q3k s ILE 54 N -1.27 2.23 0.04 0.64 -4.36 -0.30 -4.96 121.20 113.22 2q3k s ILE 54 Ca 0.24 -1.86 -0.21 0.00 -0.26 0.00 0.00 60.65 58.56 2q3k s ILE 54 Cb -0.12 -2.01 -0.06 0.00 1.25 0.00 0.00 42.46 41.53 2q3k s ILE 54 CO 0.17 -0.03 0.63 -0.75 0.24 0.00 0.00 174.94 175.20 2q3k s LYS 55 N -2.34 4.34 0.28 0.37 2.20 -1.26 -1.59 119.74 121.74 2q3k s LYS 55 Ca 0.16 0.83 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 2q3k s LYS 55 Cb -0.09 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2q3k s LYS 55 CO 0.07 0.44 0.09 0.14 -0.36 0.00 0.00 175.35 175.74 2q3k s VAL 56 N -0.50 0.74 -0.21 4.02 -7.23 -0.00 -4.54 120.40 112.67 2q3k s VAL 56 Ca 0.32 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2q3k s VAL 56 Cb -0.19 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2q3k s VAL 56 CO 0.19 0.00 0.05 -0.13 -0.31 0.00 0.00 175.10 174.90 2q3k s ARG 57 N -3.99 3.75 -0.24 4.82 0.52 0.66 -1.55 118.95 122.92 2q3k s ARG 57 Ca 0.38 -0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 54.97 2q3k s ARG 57 Cb 0.08 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 2q3k s ARG 57 CO 0.14 0.02 0.45 -1.14 0.02 0.00 0.00 175.30 174.80 2q3k s GLN 58 N 1.03 4.10 -0.08 3.54 0.74 0.39 -0.26 119.66 129.12 2q3k s GLN 58 Ca 0.03 0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.71 2q3k s GLN 58 Cb -0.14 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 2q3k s GLN 58 CO 0.03 -0.23 -0.16 0.71 -0.55 0.00 0.00 175.29 175.08 2q3k s TYR 59 N 1.92 2.68 0.14 1.67 1.51 0.27 -2.39 117.35 123.15 2q3k s TYR 59 Ca 0.20 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 2q3k s TYR 59 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2q3k s TYR 59 CO 0.09 -0.05 0.13 -0.51 -1.11 0.00 0.00 175.55 174.10 2q3k s ASP 60 N -0.21 5.56 -1.37 2.29 1.01 -1.26 -0.44 116.67 122.25 2q3k s ASP 60 Ca -0.00 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 2q3k s ASP 60 Cb -0.13 -1.47 0.01 0.00 1.01 0.00 0.00 42.92 42.33 2q3k s ASP 60 CO 0.03 0.09 0.60 0.00 0.21 0.00 0.00 175.17 176.10 2q3k n GLN 61 N -0.17 -4.21 -3.46 8.23 1.13 -1.00 -4.89 117.38 113.00 2q3k n GLN 61 Ca -0.08 0.52 -0.37 0.00 -1.94 0.00 0.00 57.00 55.12 2q3k n GLN 61 Cb 0.54 -4.91 -0.08 0.00 0.11 0.00 0.00 30.24 25.90 2q3k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q3k s ILE 62 N -3.77 5.25 -0.03 5.09 -1.09 0.58 -4.67 121.20 122.56 2q3k s ILE 62 Ca 0.06 0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.77 2q3k s ILE 62 Cb -0.03 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2q3k s ILE 62 CO 0.85 0.30 1.09 -2.84 -1.23 0.00 0.00 174.94 173.11 2q3k s PRO 63 N 1.04 4.45 -0.07 2.79 0.02 -1.26 -1.61 135.00 140.35 2q3k s PRO 63 Ca 0.17 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.75 2q3k s PRO 63 Cb -0.14 -3.48 0.02 0.00 0.02 0.00 0.00 34.50 30.91 2q3k s PRO 63 CO 0.06 -0.26 -0.10 0.42 -0.33 0.00 0.00 177.00 176.80 2q3k s ILE 64 N 1.58 1.01 -0.14 2.83 1.01 -0.06 -4.43 121.20 123.00 2q3k s ILE 64 Ca 0.53 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.59 2q3k s ILE 64 Cb -0.23 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 2q3k s ILE 64 CO 0.24 0.34 0.67 -0.70 0.00 0.00 0.00 174.94 175.49 2q3k s GLU 65 N 0.95 4.32 -0.21 2.79 2.12 0.21 -1.08 118.70 127.78 2q3k s GLU 65 Ca -0.10 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.00 2q3k s GLU 65 Cb -0.15 -3.52 0.05 0.00 0.26 0.00 0.00 34.13 30.77 2q3k s GLU 65 CO 0.00 -0.11 -0.10 0.42 -0.54 0.00 0.00 175.26 174.94 2q3k s ILE 66 N 1.44 1.69 -1.52 -3.70 1.01 0.71 -0.90 121.20 119.93 2q3k s ILE 66 Ca 0.33 -1.11 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2q3k s ILE 66 Cb -0.16 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.56 2q3k s ILE 66 CO 0.13 0.11 0.45 0.00 0.00 0.00 0.00 174.94 175.63 2q3k n GLY 68 N -1.91 2.72 3.73 0.00 0.00 -1.26 -5.00 105.19 103.47 2q3k n GLY 68 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2q3k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q3k s HIS 69 N -3.13 3.53 -0.15 1.61 4.02 0.29 -5.05 115.29 116.41 2q3k s HIS 69 Ca 0.00 0.89 -0.27 0.00 1.02 0.00 0.00 55.06 56.70 2q3k s HIS 69 Cb 0.00 -2.52 -0.01 0.00 -1.02 0.00 0.00 32.58 29.03 2q3k s HIS 69 CO 0.00 0.22 0.92 -1.59 1.02 0.00 0.00 174.74 175.31 2q3k s LYS 70 N 0.43 4.34 0.15 1.40 0.00 -1.26 -0.21 119.74 124.59 2q3k s LYS 70 Ca 0.25 1.20 0.10 0.00 0.00 0.00 0.00 55.97 57.52 2q3k s LYS 70 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 37.83 34.07 2q3k s LYS 70 CO 0.10 -0.36 -0.22 0.00 0.00 0.00 0.00 175.35 174.87 2q3k s ALA 71 N 2.22 2.16 -0.11 0.59 0.00 -0.24 -4.82 121.76 121.56 2q3k s ALA 71 Ca 0.43 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 2q3k s ALA 71 Cb -0.17 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.72 2q3k s ALA 71 CO 0.14 0.39 0.23 0.42 0.00 0.00 0.00 175.76 176.94 2q3k s ILE 72 N -1.48 -0.29 -0.03 0.00 1.01 -1.26 -0.88 121.20 118.28 2q3k s ILE 72 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.05 2q3k s ILE 72 Cb -0.08 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2q3k s ILE 72 CO 0.07 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2q3k n GLY 73 N 5.07 -0.66 3.73 6.18 0.00 -0.63 -4.81 105.19 114.07 2q3k n GLY 73 Ca -0.11 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2q3k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3k s THR 74 N -3.39 4.56 -0.06 2.61 2.01 -1.26 -0.31 115.64 119.80 2q3k s THR 74 Ca 0.00 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2q3k s THR 74 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2q3k s THR 74 CO 0.00 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 2q3k s VAL 75 N -0.05 1.07 -0.19 3.82 1.01 0.42 -4.47 120.40 122.00 2q3k s VAL 75 Ca 0.44 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2q3k s VAL 75 Cb -0.23 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2q3k s VAL 75 CO 0.28 0.34 0.07 -0.76 0.00 0.00 0.00 175.10 175.03 2q3k s LEU 76 N 0.64 3.81 -0.16 3.92 1.43 0.11 -0.56 118.68 127.87 2q3k s LEU 76 Ca -0.13 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2q3k s LEU 76 Cb -0.15 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2q3k s LEU 76 CO 0.03 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.98 2q3k s VAL 77 N 0.53 3.27 0.07 -1.59 1.01 0.64 0.09 120.40 124.42 2q3k s VAL 77 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2q3k s VAL 77 Cb -0.13 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.88 2q3k s VAL 77 CO 0.01 0.49 0.50 0.61 0.00 0.00 0.00 175.10 176.71 2q3k n GLY 78 N 3.85 0.89 3.51 4.51 0.00 -0.83 -0.25 105.19 116.87 2q3k n GLY 78 Ca -0.18 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 2q3k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q3k n PRO 79 N -0.35 2.44 -5.09 1.61 -0.04 -1.26 -3.59 135.00 128.72 2q3k n PRO 79 Ca -0.00 -2.84 -0.32 0.00 -0.04 0.00 0.00 63.50 60.29 2q3k n PRO 79 Cb 0.27 -3.56 -0.15 0.00 -0.04 0.00 0.00 33.50 30.02 2q3k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q3k s THR 80 N 7.06 2.58 -0.18 0.52 -1.32 -1.26 -5.02 115.64 118.02 2q3k s THR 80 Ca 0.60 -0.90 0.29 0.00 -1.21 0.00 0.00 61.69 60.46 2q3k s THR 80 Cb 0.03 -1.96 0.36 0.00 -1.51 0.00 0.00 72.50 69.41 2q3k s THR 80 CO 0.10 0.58 1.82 1.55 -2.21 0.00 0.00 174.62 176.46 2q3k h PRO 81 N 5.47 0.00 -4.41 7.08 0.13 -1.99 -3.41 132.00 134.87 2q3k h PRO 81 Ca -0.44 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 2q3k h PRO 81 Cb 1.14 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.94 2q3k h PRO 81 CO 0.49 0.00 -0.80 0.54 -0.23 0.00 0.00 178.00 178.00 2q3k s VAL 82 N -3.45 0.97 0.16 1.56 0.11 -1.26 -5.02 120.40 113.47 2q3k s VAL 82 Ca 0.04 -0.38 -0.31 0.00 -2.93 0.00 0.00 61.98 58.39 2q3k s VAL 82 Cb 0.08 -0.91 -0.10 0.00 -1.53 0.00 0.00 36.38 33.92 2q3k s VAL 82 CO 0.58 0.32 1.59 0.20 -3.33 0.00 0.00 175.10 174.45 2q3k s ASN 83 N 0.71 6.57 -0.10 3.54 0.01 -1.26 -4.64 114.94 119.78 2q3k s ASN 83 Ca -0.14 2.62 0.04 0.00 -0.71 0.00 0.00 52.86 54.67 2q3k s ASN 83 Cb -0.15 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.91 2q3k s ASN 83 CO 0.03 -0.84 -0.23 0.27 -1.51 0.00 0.00 177.10 174.81 2q3k s ILE 84 N 1.31 2.13 -0.38 0.60 -4.36 0.08 -0.59 121.20 119.98 2q3k s ILE 84 Ca 0.71 -0.99 -0.17 0.00 -0.26 0.00 0.00 60.65 59.94 2q3k s ILE 84 Cb -0.44 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2q3k s ILE 84 CO 0.31 0.56 0.42 -0.63 0.24 0.00 0.00 174.94 175.84 2q3k s ILE 85 N 0.35 5.11 0.62 8.37 -1.09 0.74 -1.55 121.20 133.75 2q3k s ILE 85 Ca -0.18 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 2q3k s ILE 85 Cb -0.18 -3.94 0.12 0.00 -1.58 0.00 0.00 42.46 36.88 2q3k s ILE 85 CO 0.08 -0.27 0.85 0.61 -1.23 0.00 0.00 174.94 174.99 2q3k n GLY 86 N 5.01 0.84 0.31 6.18 0.00 -1.23 -1.11 105.19 115.19 2q3k n GLY 86 Ca -0.08 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 43.98 2q3k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q3k h ARG 87 N 0.00 0.32 -0.11 1.61 3.08 -1.00 0.10 114.38 118.38 2q3k h ARG 87 Ca -0.28 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2q3k h ARG 87 Cb 1.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2q3k h ARG 87 CO 0.31 0.21 0.06 -2.95 -1.07 0.00 0.00 179.97 176.54 2q3k h ASN 88 N 0.33 0.12 0.00 7.04 -1.07 -1.78 -0.98 115.58 119.25 2q3k h ASN 88 Ca 0.15 -0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.28 2q3k h ASN 88 Cb 0.18 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 36.36 2q3k h ASN 88 CO -0.03 0.10 -2.13 0.18 0.07 0.00 0.00 177.43 175.62 2q3k n LEU 89 N -4.51 0.00 -0.27 6.14 4.77 -0.67 -4.25 117.00 118.20 2q3k n LEU 89 Ca -0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 2q3k n LEU 89 Cb 0.09 0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2q3k n LEU 89 CO 0.34 0.31 0.99 -0.07 -1.33 0.00 0.00 177.39 177.64 2q3k h LEU 90 N 0.00 1.10 -0.71 2.23 3.38 -0.56 -2.21 115.31 118.54 2q3k h LEU 90 Ca -0.35 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.42 2q3k h LEU 90 Cb 1.75 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 2q3k h LEU 90 CO 0.02 1.02 0.47 0.71 0.09 0.00 0.00 178.44 180.74 2q3k h THR 91 N 1.12 1.18 -0.20 0.22 1.35 -1.41 -1.67 112.91 113.50 2q3k h THR 91 Ca 0.24 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 2q3k h THR 91 Cb 0.31 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 2q3k h THR 91 CO -0.01 0.18 0.07 1.56 -0.25 0.00 0.00 175.52 177.07 2q3k h GLN 92 N 0.96 0.27 -0.15 4.72 4.20 -1.58 -1.03 115.11 122.50 2q3k h GLN 92 Ca 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2q3k h GLN 92 Cb -0.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.61 2q3k h GLN 92 CO -0.06 0.24 0.00 0.44 -0.67 0.00 0.00 178.83 178.79 2q3k n ILE 93 N -4.44 0.18 -1.90 2.54 -5.35 -1.07 -4.94 119.36 104.38 2q3k n ILE 93 Ca -0.00 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2q3k n ILE 93 Cb 0.13 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 2q3k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q3k n GLY 94 N 1.25 0.52 3.69 3.28 0.00 -0.39 -5.01 105.19 108.53 2q3k n GLY 94 Ca 0.17 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2q3k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3k s THR 96 N 1.83 2.19 -0.11 0.00 -4.23 -1.26 -4.66 115.64 109.40 2q3k s THR 96 Ca 0.47 -2.28 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 2q3k s THR 96 Cb -0.18 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2q3k s THR 96 CO 0.19 -0.34 0.11 -0.76 -0.54 0.00 0.00 174.62 173.28 2q3k s LEU 97 N -3.51 4.23 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.23 2q3k s LEU 97 Ca 0.30 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2q3k s LEU 97 Cb -0.01 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.22 2q3k s LEU 97 CO 0.14 0.40 0.01 0.20 0.23 0.00 0.00 176.35 177.33 2q3k s ASN 98 N -0.98 0.46 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.28 2q3k s ASN 98 Ca 0.15 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 2q3k s ASN 98 Cb -0.12 -0.19 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 2q3k s ASN 98 CO 0.04 -0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.66