#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 3.47 -0.16 0.54 0.74 -1.26 -5.10 119.66 117.89 2q3k s GLN 2 Ca 0.00 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.92 2q3k s GLN 2 Cb 0.00 -2.87 0.02 0.00 1.10 0.00 0.00 33.01 31.27 2q3k s GLN 2 CO 0.00 0.36 -0.15 0.42 -0.55 0.00 0.00 175.29 175.37 2q3k s ILE 3 N 0.03 1.70 0.83 -2.34 1.01 -1.26 -5.12 121.20 116.05 2q3k s ILE 3 Ca 0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 2q3k s ILE 3 Cb -0.13 -1.59 0.13 0.00 0.01 0.00 0.00 42.46 40.87 2q3k s ILE 3 CO 0.03 0.45 1.17 0.42 0.00 0.00 0.00 174.94 177.01 2q3k s THR 4 N 1.43 2.08 -0.11 2.92 -4.23 -1.26 -5.03 115.64 111.45 2q3k s THR 4 Ca 0.04 -0.14 0.15 0.00 -1.18 0.00 0.00 61.69 60.56 2q3k s THR 4 Cb -0.13 -2.94 0.24 0.00 1.34 0.00 0.00 72.50 71.00 2q3k s THR 4 CO -0.11 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.27 2q3k n LEU 5 N -3.33 2.13 0.25 4.79 4.77 -1.26 -4.57 117.00 119.78 2q3k n LEU 5 Ca 0.12 -2.80 0.13 0.00 -0.03 0.00 0.00 56.01 53.43 2q3k n LEU 5 Cb 0.60 -0.35 0.65 0.00 -2.33 0.00 0.00 43.42 41.99 2q3k n LEU 5 CO 0.49 0.65 0.92 -0.50 -1.33 0.00 0.00 177.39 177.63 2q3k h TRP 6 N 0.00 0.00 -2.28 -1.77 4.06 -2.06 -3.43 115.95 110.46 2q3k h TRP 6 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 2q3k h TRP 6 Cb 0.97 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.99 2q3k h TRP 6 CO 0.01 0.14 -0.69 0.15 -3.56 0.00 0.00 178.44 174.49 2q3k s LYS 7 N -3.92 1.68 0.27 0.49 1.02 -1.26 -5.11 119.74 112.90 2q3k s LYS 7 Ca -0.01 -1.85 -0.31 0.00 0.02 0.00 0.00 55.97 53.82 2q3k s LYS 7 Cb 0.11 -1.46 -0.12 0.00 -0.52 0.00 0.00 37.83 35.84 2q3k s LYS 7 CO 0.59 0.11 1.55 0.54 -0.92 0.00 0.00 175.35 177.22 2q3k n ARG 8 N -0.68 2.48 -1.62 1.68 1.74 -1.26 -4.86 116.66 114.14 2q3k n ARG 8 Ca -0.05 0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 57.50 2q3k n ARG 8 Cb 0.63 -2.63 -0.01 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 2.28 2.85 -3.15 5.56 -0.04 -1.26 -4.92 135.00 136.32 2q3k n PRO 9 Ca 0.10 -2.48 -0.39 0.00 -0.04 0.00 0.00 63.50 60.69 2q3k n PRO 9 Cb 0.35 -3.19 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 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 1.84 4.32 0.24 1.53 1.43 -1.26 -1.02 118.68 125.76 2q3k s LEU 10 Ca 0.51 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 2q3k s LEU 10 Cb 0.14 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2q3k s LEU 10 CO -0.07 -0.04 0.05 0.68 0.23 0.00 0.00 176.35 177.19 2q3k s VAL 11 N 0.58 0.76 -0.03 -1.59 -7.23 -0.20 -4.93 120.40 107.75 2q3k s VAL 11 Ca 0.33 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 2q3k s VAL 11 Cb -0.17 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2q3k s VAL 11 CO 0.16 -0.20 0.56 -0.89 -0.31 0.00 0.00 175.10 174.42 2q3k s THR 12 N -3.61 4.99 0.22 5.32 2.01 -1.26 -1.28 115.64 122.02 2q3k s THR 12 Ca 0.32 1.17 0.10 0.00 0.31 0.00 0.00 61.69 63.59 2q3k s THR 12 Cb 0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2q3k s THR 12 CO 0.10 0.40 -0.15 0.27 -0.69 0.00 0.00 174.62 174.55 2q3k s ILE 13 N -0.02 2.81 -0.12 1.82 -4.36 0.10 -1.91 121.20 119.53 2q3k s ILE 13 Ca 0.30 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 2q3k s ILE 13 Cb -0.17 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.14 2q3k s ILE 13 CO 0.15 -0.20 -0.18 -0.60 0.24 0.00 0.00 174.94 174.36 2q3k s ARG 14 N -3.02 2.48 -0.08 0.37 3.52 0.29 -1.56 118.95 120.95 2q3k s ARG 14 Ca 0.25 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 2q3k s ARG 14 Cb -0.07 -2.07 0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2q3k s ARG 14 CO 0.14 -0.04 0.16 -1.50 -0.81 0.00 0.00 175.30 173.24 2q3k s ILE 15 N 0.92 -0.18 -1.67 4.11 2.07 -0.01 -1.54 121.20 124.90 2q3k s ILE 15 Ca -0.07 0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 2q3k s ILE 15 Cb -0.15 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.17 2q3k s ILE 15 CO -0.02 0.12 0.17 0.61 -1.91 0.00 0.00 174.94 173.91 2q3k n GLY 16 N 4.88 -0.51 2.37 1.50 0.00 -1.26 -0.24 105.19 111.93 2q3k n GLY 16 Ca -0.13 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.14 1.05 3.60 -0.02 0.00 -1.26 -5.01 105.19 102.41 2q3k n GLY 17 Ca -0.20 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2q3k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q3k s GLN 18 N -2.59 3.39 -0.14 1.61 -1.52 0.67 -5.11 119.66 115.98 2q3k s GLN 18 Ca 0.00 -0.45 -0.16 0.00 -1.95 0.00 0.00 55.36 52.80 2q3k s GLN 18 Cb 0.00 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.85 2q3k s GLN 18 CO 0.00 0.46 0.39 -0.51 -0.25 0.00 0.00 175.29 175.37 2q3k s LEU 19 N -0.20 4.26 0.08 2.90 1.43 -1.26 -0.83 118.68 125.05 2q3k s LEU 19 Ca 0.05 0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2q3k s LEU 19 Cb -0.13 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2q3k s LEU 19 CO 0.02 0.05 -0.02 -0.54 0.23 0.00 0.00 176.35 176.09 2q3k s LYS 20 N 0.57 0.73 -0.13 1.70 1.02 -0.60 -4.99 119.74 118.04 2q3k s LYS 20 Ca 0.21 -1.30 -0.09 0.00 0.02 0.00 0.00 55.97 54.81 2q3k s LYS 20 Cb -0.14 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 2q3k s LYS 20 CO 0.07 -0.12 0.18 -1.21 -0.92 0.00 0.00 175.35 173.35 2q3k s GLU 21 N -3.93 3.76 0.05 1.68 0.41 -1.26 0.01 118.70 119.42 2q3k s GLU 21 Ca 0.12 -0.08 -0.04 0.00 -0.41 0.00 0.00 54.97 54.56 2q3k s GLU 21 Cb 0.07 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.13 2q3k s GLU 21 CO -0.06 0.60 0.05 0.00 -0.49 0.00 0.00 175.26 175.36 2q3k s ALA 22 N -0.54 0.16 -0.24 5.21 0.00 -0.40 -4.50 121.76 121.46 2q3k s ALA 22 Ca 0.14 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 2q3k s ALA 22 Cb -0.12 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2q3k s ALA 22 CO 0.03 -0.38 0.21 -1.17 0.00 0.00 0.00 175.76 174.46 2q3k s LEU 23 N -2.60 4.12 -0.42 0.00 2.96 -0.08 -1.03 118.68 121.63 2q3k s LEU 23 Ca 0.02 0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 2q3k s LEU 23 Cb 0.04 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2q3k s LEU 23 CO -0.08 0.03 1.31 -0.76 -1.32 0.00 0.00 176.35 175.53 2q3k s LEU 24 N 1.16 3.64 -0.32 -0.68 1.43 -0.19 -0.73 118.68 122.99 2q3k s LEU 24 Ca 0.10 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2q3k s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 2q3k s LEU 24 CO 0.05 -1.33 0.09 -0.62 0.23 0.00 0.00 176.35 174.78 2q3k s ASP 25 N 3.33 4.12 0.28 2.29 -1.08 -0.56 -4.78 116.67 120.28 2q3k s ASP 25 Ca 0.57 -1.73 0.24 0.00 -0.52 0.00 0.00 52.55 51.10 2q3k s ASP 25 Cb -0.12 -0.97 1.00 0.00 -1.46 0.00 0.00 42.92 41.37 2q3k s ASP 25 CO 0.31 -0.41 1.73 0.71 0.52 0.00 0.00 175.17 178.03 2q3k h THR 26 N 6.48 0.00 -0.00 1.71 1.35 -1.93 -2.62 112.91 117.89 2q3k h THR 26 Ca -0.12 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2q3k h THR 26 Cb 1.01 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2q3k h THR 26 CO 0.48 0.00 -0.18 0.61 -0.25 0.00 0.00 175.52 176.17 2q3k n GLY 27 N 0.06 -1.35 3.69 5.82 0.00 -1.26 -4.79 105.19 107.35 2q3k n GLY 27 Ca 0.02 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2q3k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3k s ALA 28 N -2.94 3.55 0.27 4.61 0.00 -0.99 -4.98 121.76 121.29 2q3k s ALA 28 Ca 0.15 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.47 2q3k s ALA 28 Cb 0.19 -2.03 0.35 0.00 0.00 0.00 0.00 23.12 21.63 2q3k s ALA 28 CO 0.58 0.20 1.62 -0.44 0.00 0.00 0.00 175.76 177.72 2q3k h ASP 29 N 6.58 0.16 -2.14 0.00 3.32 -1.86 0.08 116.42 122.55 2q3k h ASP 29 Ca -0.40 -0.08 -0.60 0.00 0.02 0.00 0.00 57.03 55.97 2q3k h ASP 29 Cb 1.16 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 2q3k h ASP 29 CO 0.72 0.69 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.43 2q3k s ASP 30 N -6.88 3.56 -0.21 6.45 1.01 -1.26 -2.31 116.67 117.02 2q3k s ASP 30 Ca -0.03 -1.16 -0.07 0.00 0.71 0.00 0.00 52.55 52.00 2q3k s ASP 30 Cb 0.13 -0.31 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 2q3k s ASP 30 CO 0.78 -0.18 0.05 -0.89 0.21 0.00 0.00 175.17 175.14 2q3k s THR 31 N -2.65 4.41 -0.13 -1.27 2.01 -1.26 -3.09 115.64 113.65 2q3k s THR 31 Ca 0.31 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2q3k s THR 31 Cb 0.01 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.54 2q3k s THR 31 CO 0.15 0.40 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 2q3k s VAL 32 N 1.02 1.00 0.09 3.82 1.01 -0.22 -0.92 120.40 126.20 2q3k s VAL 32 Ca 0.03 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2q3k s VAL 32 Cb -0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2q3k s VAL 32 CO 0.03 0.27 -0.11 -0.76 0.00 0.00 0.00 175.10 174.53 2q3k s LEU 33 N 1.71 2.97 1.08 3.92 1.43 0.81 -0.21 118.68 130.39 2q3k s LEU 33 Ca 0.04 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 2q3k s LEU 33 Cb -0.13 -1.77 0.20 0.00 0.03 0.00 0.00 46.19 44.51 2q3k s LEU 33 CO -0.08 0.19 0.83 -0.62 0.23 0.00 0.00 176.35 176.90 2q3k n GLU 34 N 0.83 -1.59 -1.66 1.70 1.02 -1.25 -1.45 120.64 118.23 2q3k n GLU 34 Ca -0.14 -0.43 -0.46 0.00 -0.02 0.00 0.00 57.16 56.11 2q3k n GLU 34 Cb 0.52 -2.12 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 2q3k n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2q3k n GLU 35 N -4.00 1.93 -3.52 3.49 4.07 -1.25 -4.51 120.64 116.85 2q3k n GLU 35 Ca 0.05 0.69 -0.11 0.00 -0.06 0.00 0.00 57.16 57.74 2q3k n GLU 35 Cb 0.55 -2.37 -0.03 0.00 -0.06 0.00 0.00 31.44 29.52 2q3k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q3k s MET 36 N 0.11 0.83 -0.33 5.31 0.23 -1.26 -5.04 119.30 119.14 2q3k s MET 36 Ca 0.73 -0.10 -0.18 0.00 -1.03 0.00 0.00 55.69 55.11 2q3k s MET 36 Cb -0.70 0.39 -0.01 0.00 -1.53 0.00 0.00 34.83 32.98 2q3k s MET 36 CO 0.46 -0.32 0.50 -0.80 -2.03 0.00 0.00 175.02 172.82 2q3k s ASN 37 N -1.91 6.32 0.10 -1.18 0.02 -1.26 -5.04 114.94 111.98 2q3k s ASN 37 Ca 0.00 0.04 0.05 0.00 -1.02 0.00 0.00 52.86 51.93 2q3k s ASN 37 Cb -0.01 -2.26 -0.04 0.00 0.02 0.00 0.00 41.25 38.96 2q3k s ASN 37 CO -0.04 -0.43 0.02 -0.76 0.02 0.00 0.00 177.10 175.91 2q3k s LEU 38 N 2.35 3.52 0.71 0.60 1.43 -1.26 -5.10 118.68 120.93 2q3k s LEU 38 Ca 0.18 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 2q3k s LEU 38 Cb -0.16 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.84 2q3k s LEU 38 CO 0.13 0.16 1.09 -2.84 0.23 0.00 0.00 176.35 175.12 2q3k s PRO 39 N -2.39 2.86 0.00 1.29 0.02 -1.26 -4.97 135.00 130.55 2q3k s PRO 39 Ca 0.27 0.52 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2q3k s PRO 39 Cb -0.12 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2q3k s PRO 39 CO 0.19 -1.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 2q3k n GLY 40 N -2.87 -0.09 3.76 0.52 0.00 -1.26 -4.95 105.19 100.31 2q3k n GLY 40 Ca 0.07 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.65 3.28 0.15 1.61 0.00 -1.26 -5.05 119.74 116.83 2q3k s LYS 41 Ca 0.00 1.80 0.06 0.00 0.00 0.00 0.00 55.97 57.83 2q3k s LYS 41 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 37.83 35.69 2q3k s LYS 41 CO 0.00 -0.95 -0.12 1.67 0.00 0.00 0.00 175.35 175.94 2q3k s TRP 42 N -1.60 1.40 -0.09 1.78 1.48 -1.26 -4.63 118.94 116.03 2q3k s TRP 42 Ca 0.72 -0.66 0.01 0.00 -1.06 0.00 0.00 56.10 55.12 2q3k s TRP 42 Cb -0.29 -0.70 -0.02 0.00 -1.16 0.00 0.00 33.47 31.29 2q3k s TRP 42 CO 0.33 0.16 -0.11 0.15 -4.06 0.00 0.00 176.95 173.43 2q3k s LYS 43 N -3.42 2.93 0.37 3.25 1.02 -0.74 -4.91 119.74 118.25 2q3k s LYS 43 Ca 0.16 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 2q3k s LYS 43 Cb -0.00 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.64 2q3k s LYS 43 CO 0.03 0.48 1.46 -2.14 -0.92 0.00 0.00 175.35 174.26 2q3k s PRO 44 N -0.35 4.14 -0.00 -1.68 0.02 -1.26 -0.35 135.00 135.52 2q3k s PRO 44 Ca 0.04 2.51 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 2q3k s PRO 44 Cb -0.13 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.41 2q3k s PRO 44 CO 0.02 -0.48 0.11 0.21 -0.33 0.00 0.00 177.00 176.53 2q3k s LYS 45 N -2.05 0.41 -0.14 5.54 2.20 -0.31 -4.85 119.74 120.53 2q3k s LYS 45 Ca 0.52 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.75 2q3k s LYS 45 Cb -0.45 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.02 2q3k s LYS 45 CO 0.61 -0.09 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.76 2q3k s MET 46 N -1.22 3.43 0.06 4.03 -1.94 -1.26 -0.28 119.30 122.11 2q3k s MET 46 Ca -0.13 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.26 2q3k s MET 46 Cb -0.07 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 2q3k s MET 46 CO 0.01 0.20 -0.20 0.96 -0.01 0.00 0.00 175.02 175.98 2q3k s ILE 47 N 0.40 1.61 0.16 2.53 -4.36 -0.20 -4.96 121.20 116.38 2q3k s ILE 47 Ca -0.09 -1.25 0.05 0.00 -0.26 0.00 0.00 60.65 59.10 2q3k s ILE 47 Cb -0.16 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 2q3k s ILE 47 CO 0.05 0.12 0.11 -0.83 0.24 0.00 0.00 174.94 174.63 2q3k s GLY 48 N -1.34 1.75 0.14 6.27 0.00 -1.26 -0.01 107.32 112.88 2q3k s GLY 48 Ca 0.06 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 2q3k s GLY 48 CO 0.02 -1.22 0.46 0.61 0.00 0.00 0.00 173.10 172.97 2q3k n GLY 49 N -0.21 1.20 3.66 0.20 0.00 0.11 -4.95 105.19 105.20 2q3k n GLY 49 Ca -0.09 -1.08 -0.53 0.00 0.00 0.00 0.00 46.02 44.32 2q3k n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2q3k n ILE 50 N -0.32 0.39 0.00 -0.61 5.41 -1.26 -0.05 119.36 122.92 2q3k n ILE 50 Ca -0.03 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2q3k n ILE 50 Cb 0.29 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 2q3k n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2q3k n GLY 51 N 4.64 3.10 0.00 7.39 0.00 -1.26 -5.03 105.19 114.03 2q3k n GLY 51 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.02 3.62 -0.02 0.00 0.93 -5.12 105.19 104.61 2q3k n GLY 52 Ca 0.00 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.04 3.25 0.19 1.61 0.40 -1.26 0.04 117.98 119.16 2q3k s PHE 53 Ca 0.00 0.05 0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2q3k s PHE 53 Cb 0.00 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 2q3k s PHE 53 CO 0.00 0.06 -0.20 0.96 0.70 0.00 0.00 175.22 176.74 2q3k s ILE 54 N 0.73 2.59 0.03 0.64 -4.36 0.99 -4.94 121.20 116.89 2q3k s ILE 54 Ca 0.05 -1.94 -0.22 0.00 -0.26 0.00 0.00 60.65 58.27 2q3k s ILE 54 Cb -0.13 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.26 2q3k s ILE 54 CO 0.02 -0.12 0.66 -1.59 0.24 0.00 0.00 174.94 174.14 2q3k s LYS 55 N -2.75 4.38 0.24 0.37 0.00 -1.26 -1.04 119.74 119.69 2q3k s LYS 55 Ca 0.22 0.87 0.02 0.00 0.00 0.00 0.00 55.97 57.08 2q3k s LYS 55 Cb -0.08 -3.33 -0.05 0.00 0.00 0.00 0.00 37.83 34.37 2q3k s LYS 55 CO 0.11 0.39 0.06 0.14 0.00 0.00 0.00 175.35 176.05 2q3k s VAL 56 N -0.33 0.72 -0.14 1.79 -7.23 0.62 -4.54 120.40 111.29 2q3k s VAL 56 Ca 0.33 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2q3k s VAL 56 Cb -0.19 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2q3k s VAL 56 CO 0.20 -0.16 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.61 2q3k s ARG 57 N -3.97 3.49 -0.29 4.82 0.52 0.40 -1.16 118.95 122.76 2q3k s ARG 57 Ca 0.33 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 2q3k s ARG 57 Cb 0.07 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 2q3k s ARG 57 CO 0.11 0.20 0.19 -1.14 0.02 0.00 0.00 175.30 174.68 2q3k s GLN 58 N 0.41 3.88 -0.19 3.54 0.74 0.52 -0.50 119.66 128.07 2q3k s GLN 58 Ca -0.08 -0.37 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 2q3k s GLN 58 Cb -0.15 -3.67 -0.01 0.00 1.10 0.00 0.00 33.01 30.28 2q3k s GLN 58 CO 0.04 -0.22 -0.06 0.71 -0.55 0.00 0.00 175.29 175.22 2q3k s TYR 59 N 1.75 2.95 0.11 1.67 1.51 -0.07 -1.78 117.35 123.49 2q3k s TYR 59 Ca 0.07 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 2q3k s TYR 59 Cb -0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2q3k s TYR 59 CO 0.11 -0.34 0.29 -0.51 -1.11 0.00 0.00 175.55 173.98 2q3k s ASP 60 N 0.97 6.40 -1.20 2.29 1.01 -1.26 -0.59 116.67 124.29 2q3k s ASP 60 Ca -0.00 0.37 -0.03 0.00 0.71 0.00 0.00 52.55 53.59 2q3k s ASP 60 Cb -0.15 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2q3k s ASP 60 CO 0.00 0.10 1.02 0.00 0.21 0.00 0.00 175.17 176.50 2q3k n GLN 61 N 0.02 -6.80 -3.64 8.23 1.13 -1.08 -4.90 117.38 110.33 2q3k n GLN 61 Ca -0.04 0.80 -0.37 0.00 -1.94 0.00 0.00 57.00 55.45 2q3k n GLN 61 Cb 0.52 -5.70 -0.09 0.00 0.11 0.00 0.00 30.24 25.07 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 -3.33 5.35 0.16 5.09 -1.09 -0.08 -4.67 121.20 122.62 2q3k s ILE 62 Ca 0.22 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.54 2q3k s ILE 62 Cb -0.10 -3.51 -0.08 0.00 -1.58 0.00 0.00 42.46 37.19 2q3k s ILE 62 CO 0.69 0.34 1.27 -2.84 -1.23 0.00 0.00 174.94 173.17 2q3k s PRO 63 N 1.10 4.42 -0.04 2.79 0.02 -1.26 -1.48 135.00 140.55 2q3k s PRO 63 Ca 0.08 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.02 2q3k s PRO 63 Cb -0.14 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.16 2q3k s PRO 63 CO 0.05 -0.23 0.10 -1.50 -0.33 0.00 0.00 177.00 175.09 2q3k s ILE 64 N 0.37 -0.03 -0.26 2.83 2.07 0.10 -4.53 121.20 121.77 2q3k s ILE 64 Ca 0.57 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.84 2q3k s ILE 64 Cb -0.34 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.06 2q3k s ILE 64 CO 0.35 0.04 0.08 -0.70 -1.91 0.00 0.00 174.94 172.80 2q3k s GLU 65 N 0.64 3.59 -0.35 3.50 2.12 -0.59 0.09 118.70 127.71 2q3k s GLU 65 Ca -0.05 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 2q3k s GLU 65 Cb -0.07 -3.35 0.07 0.00 0.26 0.00 0.00 34.13 31.05 2q3k s GLU 65 CO -0.03 -0.22 0.09 0.42 -0.54 0.00 0.00 175.26 174.98 2q3k s ILE 66 N 1.61 3.17 -1.46 -3.70 1.01 0.69 -0.55 121.20 121.97 2q3k s ILE 66 Ca 0.06 -1.64 -0.10 0.00 0.00 0.00 0.00 60.65 58.97 2q3k s ILE 66 Cb -0.15 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.39 2q3k s ILE 66 CO 0.04 -0.35 0.95 0.00 0.00 0.00 0.00 174.94 175.58 2q3k n GLY 68 N -1.73 1.95 3.69 0.00 0.00 -1.26 -5.01 105.19 102.82 2q3k n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.60 3.36 -0.01 1.61 4.02 0.02 -5.06 115.29 116.62 2q3k s HIS 69 Ca 0.00 0.35 -0.28 0.00 1.02 0.00 0.00 55.06 56.14 2q3k s HIS 69 Cb 0.00 -2.29 -0.03 0.00 -1.02 0.00 0.00 32.58 29.24 2q3k s HIS 69 CO 0.00 0.13 0.91 0.15 1.02 0.00 0.00 174.74 176.95 2q3k s LYS 70 N 0.86 4.53 0.15 1.40 1.02 -1.26 -0.22 119.74 126.22 2q3k s LYS 70 Ca 0.10 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.45 2q3k s LYS 70 Cb -0.13 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 2q3k s LYS 70 CO 0.03 -0.01 -0.17 0.00 -0.92 0.00 0.00 175.35 174.28 2q3k s ALA 71 N 0.92 1.86 -0.15 5.17 0.00 0.11 -4.73 121.76 124.94 2q3k s ALA 71 Ca 0.48 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2q3k s ALA 71 Cb -0.20 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.82 2q3k s ALA 71 CO 0.26 0.19 0.04 0.42 0.00 0.00 0.00 175.76 176.66 2q3k s ILE 72 N -2.13 0.35 0.03 0.00 1.01 -1.26 0.03 121.20 119.24 2q3k s ILE 72 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2q3k s ILE 72 Cb -0.05 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2q3k s ILE 72 CO 0.06 -0.09 0.17 0.61 0.00 0.00 0.00 174.94 175.69 2q3k n GLY 73 N 5.12 1.24 3.71 6.18 0.00 -0.55 -4.75 105.19 116.15 2q3k n GLY 73 Ca -0.08 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.52 4.93 -0.12 2.61 2.01 -1.26 -0.90 115.64 120.38 2q3k s THR 74 Ca 0.04 1.77 0.03 0.00 0.31 0.00 0.00 61.69 63.83 2q3k s THR 74 Cb -0.01 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2q3k s THR 74 CO 0.01 0.16 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.21 2q3k s VAL 75 N 1.16 1.91 -0.14 3.82 1.01 0.25 -4.50 120.40 123.90 2q3k s VAL 75 Ca 0.44 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2q3k s VAL 75 Cb -0.19 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2q3k s VAL 75 CO 0.21 0.52 0.30 -0.76 0.00 0.00 0.00 175.10 175.38 2q3k s LEU 76 N 0.75 4.27 -0.17 3.92 1.43 -0.10 -0.89 118.68 127.90 2q3k s LEU 76 Ca -0.10 0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2q3k s LEU 76 Cb -0.16 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2q3k s LEU 76 CO 0.01 0.13 -0.10 -0.69 0.23 0.00 0.00 176.35 175.93 2q3k s VAL 77 N 0.25 3.10 -0.12 -1.59 1.01 0.35 -0.13 120.40 123.26 2q3k s VAL 77 Ca 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2q3k s VAL 77 Cb -0.13 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2q3k s VAL 77 CO 0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2q3k n GLY 78 N 4.16 -1.20 3.56 4.51 0.00 -0.53 -0.45 105.19 115.23 2q3k n GLY 78 Ca -0.18 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 2q3k n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q3k s PRO 79 N -0.71 2.86 0.10 1.61 0.04 -1.26 -3.89 135.00 133.75 2q3k s PRO 79 Ca 0.00 -0.58 0.08 0.00 0.04 0.00 0.00 61.00 60.54 2q3k s PRO 79 Cb 0.00 -5.16 -0.04 0.00 0.04 0.00 0.00 34.50 29.34 2q3k s PRO 79 CO 0.00 -3.06 -0.15 -0.08 0.04 0.00 0.00 177.00 173.75 2q3k s THR 80 N 8.62 3.05 0.56 1.26 -1.32 -1.26 -5.00 115.64 121.54 2q3k s THR 80 Ca 0.63 -1.36 0.25 0.00 -1.21 0.00 0.00 61.69 60.00 2q3k s THR 80 Cb -0.04 -2.39 0.33 0.00 -1.51 0.00 0.00 72.50 68.89 2q3k s THR 80 CO -0.03 0.14 2.16 -0.65 -2.21 0.00 0.00 174.62 174.04 2q3k h PRO 81 N 3.81 0.00 -2.41 7.08 0.11 -1.98 -3.45 132.00 135.16 2q3k h PRO 81 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2q3k h PRO 81 Cb 1.17 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.10 2q3k h PRO 81 CO 0.49 0.00 0.11 0.54 -0.21 0.00 0.00 178.00 178.92 2q3k s VAL 82 N -4.81 0.01 0.19 3.15 0.11 -1.26 -5.13 120.40 112.66 2q3k s VAL 82 Ca -0.05 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.59 2q3k s VAL 82 Cb 0.16 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.96 2q3k s VAL 82 CO 0.60 -0.06 1.44 0.20 -3.33 0.00 0.00 175.10 173.95 2q3k s ASN 83 N -1.58 6.72 -0.16 3.54 0.01 -1.26 -4.79 114.94 117.41 2q3k s ASN 83 Ca -0.08 2.53 0.00 0.00 -0.71 0.00 0.00 52.86 54.60 2q3k s ASN 83 Cb -0.01 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2q3k s ASN 83 CO 0.04 -0.69 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.20 2q3k s ILE 84 N 0.57 1.48 -0.42 0.60 1.01 0.71 -0.90 121.20 124.26 2q3k s ILE 84 Ca 0.63 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 2q3k s ILE 84 Cb -0.40 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2q3k s ILE 84 CO 0.36 0.31 0.63 -0.63 0.00 0.00 0.00 174.94 175.62 2q3k s ILE 85 N 1.50 4.85 0.51 2.92 -1.09 0.09 -1.06 121.20 128.92 2q3k s ILE 85 Ca 0.02 0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.66 2q3k s ILE 85 Cb -0.14 -4.17 0.09 0.00 -1.58 0.00 0.00 42.46 36.66 2q3k s ILE 85 CO -0.09 -0.54 0.70 0.61 -1.23 0.00 0.00 174.94 174.39 2q3k n GLY 86 N 4.98 1.36 0.25 6.18 0.00 -1.18 -1.50 105.19 115.29 2q3k n GLY 86 Ca -0.02 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.95 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 0.05 -0.63 1.61 3.08 -0.93 -1.10 114.38 116.45 2q3k h ARG 87 Ca -0.23 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.90 2q3k h ARG 87 Cb 0.97 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 2q3k h ARG 87 CO 0.29 0.08 0.42 -2.95 -1.07 0.00 0.00 179.97 176.74 2q3k h ASN 88 N 0.05 0.45 0.07 7.04 -1.07 -1.73 -1.73 115.58 118.66 2q3k h ASN 88 Ca 0.01 0.01 -0.36 0.00 0.07 0.00 0.00 56.30 56.03 2q3k h ASN 88 Cb 0.09 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 2q3k h ASN 88 CO 0.00 0.28 -2.29 0.18 0.07 0.00 0.00 177.43 175.67 2q3k n LEU 89 N -4.48 0.19 -0.22 6.14 4.77 -0.70 -4.11 117.00 118.59 2q3k n LEU 89 Ca 0.10 0.06 0.01 0.00 -0.03 0.00 0.00 56.01 56.14 2q3k n LEU 89 Cb 0.33 0.42 0.24 0.00 -2.33 0.00 0.00 43.42 42.08 2q3k n LEU 89 CO 0.34 0.49 1.24 -0.07 -1.33 0.00 0.00 177.39 178.06 2q3k h LEU 90 N 0.00 0.87 -0.77 2.23 3.38 -1.01 -1.57 115.31 118.44 2q3k h LEU 90 Ca -0.51 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 2q3k h LEU 90 Cb 2.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 2q3k h LEU 90 CO 0.03 0.63 -0.03 0.71 0.09 0.00 0.00 178.44 179.87 2q3k h THR 91 N 1.03 1.26 -0.61 0.22 1.35 -1.53 -0.73 112.91 113.91 2q3k h THR 91 Ca 0.28 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 2q3k h THR 91 Cb -0.11 0.90 -0.03 0.00 -1.73 0.00 0.00 68.15 67.17 2q3k h THR 91 CO -0.06 0.39 0.34 1.56 -0.25 0.00 0.00 175.52 177.50 2q3k h GLN 92 N 0.82 0.83 -0.33 4.72 4.20 -1.45 -2.39 115.11 121.51 2q3k h GLN 92 Ca 0.15 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2q3k h GLN 92 Cb 0.54 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2q3k h GLN 92 CO 0.03 0.61 0.00 0.44 -0.67 0.00 0.00 178.83 179.24 2q3k n ILE 93 N -4.39 0.43 -1.07 2.54 -5.35 -0.93 -4.91 119.36 105.68 2q3k n ILE 93 Ca 0.06 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2q3k n ILE 93 Cb 0.09 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 1.23 0.49 3.71 3.28 0.00 -0.90 -5.01 105.19 108.00 2q3k n GLY 94 Ca 0.16 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 0.85 1.17 -0.08 0.00 -4.23 -1.26 -4.64 115.64 107.44 2q3k s THR 96 Ca 0.52 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.91 2q3k s THR 96 Cb -0.22 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2q3k s THR 96 CO 0.28 -0.49 0.15 -0.76 -0.54 0.00 0.00 174.62 173.26 2q3k s LEU 97 N -3.27 4.33 -0.04 4.79 1.43 -1.26 -5.11 118.68 119.56 2q3k s LEU 97 Ca 0.24 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2q3k s LEU 97 Cb 0.04 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2q3k s LEU 97 CO 0.06 0.35 0.08 0.20 0.23 0.00 0.00 176.35 177.28 2q3k s ASN 98 N -1.36 -0.06 0.00 2.29 0.01 -1.26 -5.30 114.94 109.27 2q3k s ASN 98 Ca 0.19 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 2q3k s ASN 98 Cb -0.12 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.66 2q3k s ASN 98 CO 0.09 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.83