#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5k s GLN 2 N 0.00 3.59 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.97 2q5k s GLN 2 Ca 0.00 -0.56 -0.01 0.00 0.05 0.00 0.00 55.36 54.84 2q5k s GLN 2 Cb 0.00 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.25 2q5k s GLN 2 CO 0.00 0.20 -0.13 0.42 -0.55 0.00 0.00 175.29 175.24 2q5k s ILE 3 N 0.44 2.66 0.72 -2.34 1.01 -1.26 -5.12 121.20 117.31 2q5k s ILE 3 Ca -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 2q5k s ILE 3 Cb -0.15 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.24 2q5k s ILE 3 CO 0.03 0.49 1.03 0.42 0.00 0.00 0.00 174.94 176.91 2q5k s THR 4 N 1.37 2.25 -0.09 2.92 -4.23 -1.26 -5.04 115.64 111.57 2q5k s THR 4 Ca 0.05 -0.31 0.13 0.00 -1.18 0.00 0.00 61.69 60.38 2q5k s THR 4 Cb -0.14 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 70.96 2q5k s THR 4 CO -0.09 0.00 1.10 0.18 -0.54 0.00 0.00 174.62 175.27 2q5k n LEU 5 N -2.96 2.17 0.22 4.79 4.77 -1.26 -4.52 117.00 120.21 2q5k n LEU 5 Ca 0.10 -2.69 0.06 0.00 -0.03 0.00 0.00 56.01 53.44 2q5k n LEU 5 Cb 0.60 -0.29 0.50 0.00 -2.33 0.00 0.00 43.42 41.90 2q5k n LEU 5 CO 0.50 0.63 0.87 -0.50 -1.33 0.00 0.00 177.39 177.56 2q5k h TRP 6 N 0.00 0.00 -1.97 -1.77 4.06 -2.06 -3.43 115.95 110.77 2q5k h TRP 6 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 2q5k h TRP 6 Cb 0.86 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.89 2q5k h TRP 6 CO 0.00 0.22 -0.68 0.15 -3.56 0.00 0.00 178.44 174.57 2q5k s LYS 7 N -4.49 1.87 0.29 0.49 1.02 -1.26 -5.11 119.74 112.55 2q5k s LYS 7 Ca -0.04 -1.87 -0.30 0.00 0.02 0.00 0.00 55.97 53.79 2q5k s LYS 7 Cb 0.15 -1.77 -0.11 0.00 -0.52 0.00 0.00 37.83 35.58 2q5k s LYS 7 CO 0.69 0.17 1.61 1.03 -0.92 0.00 0.00 175.35 177.93 2q5k s ARG 8 N -3.62 4.11 -1.39 1.68 0.52 -1.26 -4.86 118.95 114.13 2q5k s ARG 8 Ca 0.33 2.60 -0.13 0.00 -0.52 0.00 0.00 55.73 58.00 2q5k s ARG 8 Cb 0.01 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2q5k s ARG 8 CO 0.17 -0.65 2.40 -0.35 0.02 0.00 0.00 175.30 176.88 2q5k n PRO 9 N 2.31 2.88 -3.13 3.54 -0.04 -1.26 -4.91 135.00 134.38 2q5k n PRO 9 Ca 0.09 -2.31 -0.39 0.00 -0.04 0.00 0.00 63.50 60.85 2q5k n PRO 9 Cb 0.37 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 2q5k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q5k s LEU 10 N 1.33 4.30 0.16 1.53 1.43 -1.26 -1.55 118.68 124.63 2q5k s LEU 10 Ca 0.54 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2q5k s LEU 10 Cb 0.15 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 2q5k s LEU 10 CO -0.05 -0.08 -0.02 0.68 0.23 0.00 0.00 176.35 177.11 2q5k s VAL 11 N 0.76 0.76 0.01 -1.59 -7.23 -0.38 -4.93 120.40 107.80 2q5k s VAL 11 Ca 0.34 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 2q5k s VAL 11 Cb -0.17 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2q5k s VAL 11 CO 0.15 -0.56 0.83 -0.89 -0.31 0.00 0.00 175.10 174.32 2q5k s THR 12 N -3.60 4.83 0.24 5.32 2.01 -1.26 -1.21 115.64 121.97 2q5k s THR 12 Ca 0.21 1.74 0.10 0.00 0.31 0.00 0.00 61.69 64.06 2q5k s THR 12 Cb 0.06 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2q5k s THR 12 CO 0.02 0.27 -0.13 0.27 -0.69 0.00 0.00 174.62 174.37 2q5k s ILE 13 N 0.48 2.90 -0.09 1.82 -4.36 0.83 -2.87 121.20 119.90 2q5k s ILE 13 Ca 0.43 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 2q5k s ILE 13 Cb -0.20 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.03 2q5k s ILE 13 CO 0.24 -0.27 -0.16 -0.60 0.24 0.00 0.00 174.94 174.38 2q5k s ARG 14 N -3.24 2.23 -0.09 0.37 3.52 -0.14 -1.63 118.95 119.97 2q5k s ARG 14 Ca 0.27 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 2q5k s ARG 14 Cb -0.07 -1.81 0.05 0.00 -1.56 0.00 0.00 34.95 31.56 2q5k s ARG 14 CO 0.15 0.03 0.20 -1.50 -0.81 0.00 0.00 175.30 173.37 2q5k s ILE 15 N 0.72 -0.17 -1.43 4.11 2.07 -0.59 -1.25 121.20 124.65 2q5k s ILE 15 Ca -0.12 0.24 -0.09 0.00 -1.41 0.00 0.00 60.65 59.26 2q5k s ILE 15 Cb -0.16 -0.33 0.05 0.00 0.13 0.00 0.00 42.46 42.16 2q5k s ILE 15 CO 0.03 0.10 0.68 0.61 -1.91 0.00 0.00 174.94 174.44 2q5k n GLY 16 N 4.70 -0.50 2.90 1.50 0.00 -1.26 -0.88 105.19 111.66 2q5k n GLY 16 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2q5k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q5k n GLY 17 N -1.45 0.69 3.63 -0.02 0.00 -1.26 -5.02 105.19 101.75 2q5k n GLY 17 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2q5k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q5k s GLN 18 N -0.25 3.74 -0.09 1.61 -1.52 -0.05 -5.10 119.66 118.00 2q5k s GLN 18 Ca 0.00 -0.38 -0.16 0.00 -1.95 0.00 0.00 55.36 52.88 2q5k s GLN 18 Cb 0.00 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.65 2q5k s GLN 18 CO 0.00 0.36 0.40 -0.51 -0.25 0.00 0.00 175.29 175.28 2q5k s LEU 19 N 0.11 4.33 0.05 2.90 1.43 -1.26 -1.55 118.68 124.69 2q5k s LEU 19 Ca 0.04 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2q5k s LEU 19 Cb -0.13 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 2q5k s LEU 19 CO 0.01 0.14 -0.01 -0.54 0.23 0.00 0.00 176.35 176.18 2q5k s LYS 20 N 0.02 0.60 -0.18 1.70 1.02 -0.65 -4.99 119.74 117.26 2q5k s LYS 20 Ca 0.22 -1.13 -0.09 0.00 0.02 0.00 0.00 55.97 54.99 2q5k s LYS 20 Cb -0.15 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2q5k s LYS 20 CO 0.09 -0.11 0.12 -1.21 -0.92 0.00 0.00 175.35 173.32 2q5k s GLU 21 N -3.64 4.01 0.03 1.68 0.41 -1.26 -0.12 118.70 119.80 2q5k s GLU 21 Ca 0.04 -0.22 -0.01 0.00 -0.41 0.00 0.00 54.97 54.38 2q5k s GLU 21 Cb 0.06 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 29.04 2q5k s GLU 21 CO -0.09 0.39 -0.02 0.00 -0.49 0.00 0.00 175.26 175.05 2q5k s ALA 22 N 0.08 0.18 -0.17 5.21 0.00 -0.35 -4.44 121.76 122.28 2q5k s ALA 22 Ca 0.09 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2q5k s ALA 22 Cb -0.11 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2q5k s ALA 22 CO -0.01 -0.21 0.61 -1.17 0.00 0.00 0.00 175.76 174.98 2q5k s LEU 23 N -1.78 4.18 -0.52 0.00 2.96 0.47 -1.26 118.68 122.74 2q5k s LEU 23 Ca -0.11 0.85 -0.28 0.00 -0.22 0.00 0.00 54.13 54.37 2q5k s LEU 23 Cb -0.06 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.78 2q5k s LEU 23 CO -0.03 -0.21 1.33 -0.76 -1.32 0.00 0.00 176.35 175.36 2q5k s LEU 24 N 1.60 3.48 -0.36 -0.68 1.43 -0.59 -0.24 118.68 123.32 2q5k s LEU 24 Ca 0.29 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2q5k s LEU 24 Cb -0.16 -3.26 0.10 0.00 0.03 0.00 0.00 46.19 42.91 2q5k s LEU 24 CO 0.11 -1.54 0.08 -0.62 0.23 0.00 0.00 176.35 174.61 2q5k s ASP 25 N 3.77 4.62 0.45 2.29 -1.08 -0.18 -4.82 116.67 121.72 2q5k s ASP 25 Ca 0.52 -2.22 0.31 0.00 -0.52 0.00 0.00 52.55 50.64 2q5k s ASP 25 Cb -0.10 -1.54 1.32 0.00 -1.46 0.00 0.00 42.92 41.14 2q5k s ASP 25 CO 0.28 -0.36 1.91 0.71 0.52 0.00 0.00 175.17 178.22 2q5k h THR 26 N 6.44 0.00 -0.16 1.71 1.35 -1.93 -2.30 112.91 118.01 2q5k h THR 26 Ca -0.05 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2q5k h THR 26 Cb 1.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2q5k h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2q5k n GLY 27 N -0.16 -0.03 3.32 5.82 0.00 -1.26 -4.82 105.19 108.06 2q5k n GLY 27 Ca 0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2q5k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5k s ALA 28 N -1.79 2.61 0.30 4.61 0.00 -0.87 -4.99 121.76 121.63 2q5k s ALA 28 Ca 0.26 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2q5k s ALA 28 Cb 0.13 -1.31 0.47 0.00 0.00 0.00 0.00 23.12 22.42 2q5k s ALA 28 CO 0.20 0.02 1.77 -0.44 0.00 0.00 0.00 175.76 177.31 2q5k h ASP 29 N 7.19 0.49 -2.32 0.00 3.32 -1.87 -0.13 116.42 123.10 2q5k h ASP 29 Ca -0.31 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 56.02 2q5k h ASP 29 Cb 1.19 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.47 2q5k h ASP 29 CO 0.57 0.68 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.26 2q5k s ASP 30 N -6.78 3.39 -0.22 6.45 1.01 -1.26 -3.19 116.67 116.07 2q5k s ASP 30 Ca -0.07 -1.14 -0.13 0.00 0.71 0.00 0.00 52.55 51.92 2q5k s ASP 30 Cb 0.14 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 2q5k s ASP 30 CO 0.78 -0.17 0.28 -0.89 0.21 0.00 0.00 175.17 175.39 2q5k s THR 31 N -2.70 5.28 -0.09 -1.27 2.01 -1.26 -3.11 115.64 114.50 2q5k s THR 31 Ca 0.30 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.76 2q5k s THR 31 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2q5k s THR 31 CO 0.14 0.30 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.61 2q5k s VAL 32 N 1.15 0.94 0.08 3.82 1.01 -0.35 -0.63 120.40 126.42 2q5k s VAL 32 Ca 0.13 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2q5k s VAL 32 Cb -0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2q5k s VAL 32 CO 0.06 0.34 -0.08 -0.76 0.00 0.00 0.00 175.10 174.66 2q5k s LEU 33 N 1.35 3.11 0.94 3.92 1.43 0.76 -0.16 118.68 130.03 2q5k s LEU 33 Ca -0.02 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2q5k s LEU 33 Cb -0.14 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2q5k s LEU 33 CO -0.04 0.20 0.56 -0.62 0.23 0.00 0.00 176.35 176.69 2q5k n GLU 34 N 0.92 -0.31 -1.57 1.70 1.02 -1.25 -1.56 120.64 119.58 2q5k n GLU 34 Ca -0.14 -0.04 -0.53 0.00 -0.02 0.00 0.00 57.16 56.43 2q5k n GLU 34 Cb 0.52 -1.96 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 2q5k n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2q5k n GLU 35 N -2.20 0.92 -3.57 3.49 4.07 -1.18 -4.53 120.64 117.65 2q5k n GLU 35 Ca 0.08 0.33 -0.08 0.00 -0.06 0.00 0.00 57.16 57.43 2q5k n GLU 35 Cb 0.53 -1.92 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 2q5k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q5k s MET 36 N 0.24 1.07 -0.25 5.31 0.23 -1.26 -5.03 119.30 119.62 2q5k s MET 36 Ca 0.84 -0.47 -0.15 0.00 -1.03 0.00 0.00 55.69 54.87 2q5k s MET 36 Cb -1.00 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 32.72 2q5k s MET 36 CO 0.50 -0.48 0.39 -0.80 -2.03 0.00 0.00 175.02 172.60 2q5k s ASN 37 N -2.67 6.32 0.03 -1.18 0.02 -1.26 -5.03 114.94 111.16 2q5k s ASN 37 Ca 0.06 0.37 0.09 0.00 -1.02 0.00 0.00 52.86 52.36 2q5k s ASN 37 Cb -0.01 -2.22 -0.03 0.00 0.02 0.00 0.00 41.25 39.01 2q5k s ASN 37 CO -0.06 -0.16 -0.25 -0.76 0.02 0.00 0.00 177.10 175.88 2q5k s LEU 38 N 1.88 2.20 0.79 0.60 1.43 -1.26 -5.11 118.68 119.20 2q5k s LEU 38 Ca 0.17 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2q5k s LEU 38 Cb -0.15 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.80 2q5k s LEU 38 CO 0.09 0.28 1.09 -2.84 0.23 0.00 0.00 176.35 175.19 2q5k s PRO 39 N -1.10 2.16 0.00 1.29 0.02 -1.26 -4.98 135.00 131.14 2q5k s PRO 39 Ca 0.12 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.15 2q5k s PRO 39 Cb -0.10 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2q5k s PRO 39 CO 0.02 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 2q5k n GLY 40 N -1.41 2.45 3.52 0.52 0.00 -1.26 -4.95 105.19 104.05 2q5k n GLY 40 Ca 0.08 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2q5k n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q5k s LYS 41 N -2.61 3.30 0.40 1.61 3.01 -1.26 -5.04 119.74 119.15 2q5k s LYS 41 Ca 0.00 -0.31 -0.04 0.00 -1.01 0.00 0.00 55.97 54.61 2q5k s LYS 41 Cb 0.00 -4.09 -0.04 0.00 -1.01 0.00 0.00 37.83 32.69 2q5k s LYS 41 CO 0.00 -1.62 0.66 1.67 0.51 0.00 0.00 175.35 176.57 2q5k s TRP 42 N 4.21 3.52 -0.13 3.18 1.48 -1.26 -4.83 118.94 125.11 2q5k s TRP 42 Ca 0.30 0.64 -0.02 0.00 -1.06 0.00 0.00 56.10 55.97 2q5k s TRP 42 Cb -0.12 -2.14 -0.02 0.00 -1.16 0.00 0.00 33.47 30.03 2q5k s TRP 42 CO 0.18 -0.05 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.36 2q5k s LYS 43 N -4.33 3.41 0.35 3.25 0.00 -0.74 -4.88 119.74 116.81 2q5k s LYS 43 Ca 0.44 -0.57 -0.28 0.00 0.00 0.00 0.00 55.97 55.56 2q5k s LYS 43 Cb -0.10 -2.77 -0.11 0.00 0.00 0.00 0.00 37.83 34.85 2q5k s LYS 43 CO 0.38 0.32 1.41 -2.14 0.00 0.00 0.00 175.35 175.33 2q5k s PRO 44 N 0.12 4.22 0.01 1.78 0.02 -1.26 -0.47 135.00 139.41 2q5k s PRO 44 Ca -0.03 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.30 2q5k s PRO 44 Cb -0.14 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.37 2q5k s PRO 44 CO 0.03 -0.39 0.23 0.21 -0.33 0.00 0.00 177.00 176.75 2q5k s LYS 45 N -1.84 0.63 -0.03 5.54 2.20 -0.46 -4.88 119.74 120.90 2q5k s LYS 45 Ca 0.52 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 2q5k s LYS 45 Cb -0.44 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.13 2q5k s LYS 45 CO 0.58 -0.17 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.55 2q5k s MET 46 N -1.76 2.28 -0.01 4.03 -1.94 -1.26 -0.09 119.30 120.54 2q5k s MET 46 Ca -0.11 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.08 2q5k s MET 46 Cb -0.05 -2.20 -0.01 0.00 2.01 0.00 0.00 34.83 34.59 2q5k s MET 46 CO 0.01 0.59 -0.13 0.96 -0.01 0.00 0.00 175.02 176.44 2q5k s ILE 47 N -0.69 1.01 -0.04 2.53 -4.36 -0.62 -4.98 121.20 114.05 2q5k s ILE 47 Ca 0.11 -0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.02 2q5k s ILE 47 Cb -0.10 -0.84 -0.01 0.00 1.25 0.00 0.00 42.46 42.75 2q5k s ILE 47 CO 0.00 0.29 -0.23 -0.83 0.24 0.00 0.00 174.94 174.41 2q5k s GLY 48 N -0.28 1.18 0.00 6.27 0.00 -1.26 -0.58 107.32 112.65 2q5k s GLY 48 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2q5k s GLY 48 CO -0.00 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.03 2q5k n GLY 49 N 2.81 4.95 3.71 0.20 0.00 -0.21 -4.96 105.19 111.70 2q5k n GLY 49 Ca -0.17 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2q5k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q5k s ILE 50 N 1.02 3.09 0.00 -0.61 1.01 -1.26 -2.01 121.20 122.43 2q5k s ILE 50 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2q5k s ILE 50 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2q5k s ILE 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2q5k n GLY 51 N 3.65 0.99 0.00 6.18 0.00 -1.26 -4.94 105.19 109.82 2q5k n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2q5k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q5k n GLY 52 N -2.00 -0.20 3.71 -0.02 0.00 -0.85 -5.05 105.19 100.78 2q5k n GLY 52 Ca 0.00 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 2q5k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q5k s PHE 53 N 0.00 3.10 0.15 1.61 0.40 -1.26 -1.04 117.98 120.94 2q5k s PHE 53 Ca 0.00 0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.49 2q5k s PHE 53 Cb 0.00 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2q5k s PHE 53 CO 0.00 0.48 -0.17 0.96 0.70 0.00 0.00 175.22 177.19 2q5k s ILE 54 N -1.17 1.67 -0.08 0.64 -4.36 0.25 -4.98 121.20 113.18 2q5k s ILE 54 Ca 0.22 -1.82 -0.21 0.00 -0.26 0.00 0.00 60.65 58.58 2q5k s ILE 54 Cb -0.12 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 2q5k s ILE 54 CO 0.13 -0.32 0.58 -0.54 0.24 0.00 0.00 174.94 175.04 2q5k s LYS 55 N -2.66 4.37 0.29 0.37 1.02 -1.26 -1.59 119.74 120.28 2q5k s LYS 55 Ca 0.13 0.67 0.03 0.00 0.02 0.00 0.00 55.97 56.82 2q5k s LYS 55 Cb -0.06 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 2q5k s LYS 55 CO 0.05 0.16 0.05 0.14 -0.92 0.00 0.00 175.35 174.84 2q5k s VAL 56 N 0.54 1.03 -0.17 3.17 -7.23 0.87 -4.41 120.40 114.20 2q5k s VAL 56 Ca 0.31 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2q5k s VAL 56 Cb -0.17 -2.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.09 2q5k s VAL 56 CO 0.15 -0.06 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.62 2q5k s ARG 57 N -3.92 3.26 -0.29 4.82 0.52 0.38 -1.36 118.95 122.36 2q5k s ARG 57 Ca 0.35 -0.71 -0.15 0.00 -0.52 0.00 0.00 55.73 54.70 2q5k s ARG 57 Cb 0.08 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2q5k s ARG 57 CO 0.14 -0.04 0.37 -1.14 0.02 0.00 0.00 175.30 174.65 2q5k s GLN 58 N 0.98 3.87 -0.13 3.54 0.74 0.37 -1.00 119.66 128.03 2q5k s GLN 58 Ca -0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.26 2q5k s GLN 58 Cb -0.15 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 2q5k s GLN 58 CO -0.02 -0.36 -0.03 0.71 -0.55 0.00 0.00 175.29 175.04 2q5k s TYR 59 N 2.07 3.04 0.13 1.67 1.51 -0.07 -1.78 117.35 123.91 2q5k s TYR 59 Ca 0.14 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2q5k s TYR 59 Cb -0.16 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2q5k s TYR 59 CO 0.11 0.10 0.21 -0.51 -1.11 0.00 0.00 175.55 174.36 2q5k s ASP 60 N -0.00 6.08 -1.38 2.29 1.01 -1.26 -0.90 116.67 122.50 2q5k s ASP 60 Ca 0.01 0.11 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 2q5k s ASP 60 Cb -0.13 -1.77 0.03 0.00 1.01 0.00 0.00 42.92 42.06 2q5k s ASP 60 CO 0.02 0.09 0.96 0.00 0.21 0.00 0.00 175.17 176.45 2q5k n GLN 61 N -0.22 -6.11 -3.49 8.23 1.13 -1.13 -4.92 117.38 110.87 2q5k n GLN 61 Ca -0.07 0.70 -0.37 0.00 -1.94 0.00 0.00 57.00 55.32 2q5k n GLN 61 Cb 0.53 -5.56 -0.08 0.00 0.11 0.00 0.00 30.24 25.25 2q5k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q5k s ILE 62 N -3.42 5.27 0.13 5.09 -1.09 -0.25 -4.69 121.20 122.24 2q5k s ILE 62 Ca 0.36 0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 59.04 2q5k s ILE 62 Cb -0.17 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 36.99 2q5k s ILE 62 CO 0.79 0.32 1.12 -2.84 -1.23 0.00 0.00 174.94 173.10 2q5k s PRO 63 N 0.97 4.54 -0.01 2.79 0.02 -1.26 -1.61 135.00 140.44 2q5k s PRO 63 Ca 0.16 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 62.89 2q5k s PRO 63 Cb -0.14 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 31.08 2q5k s PRO 63 CO 0.06 -0.04 0.03 -1.50 -0.33 0.00 0.00 177.00 175.21 2q5k s ILE 64 N 0.26 -0.02 -0.24 2.83 2.07 0.14 -4.55 121.20 121.69 2q5k s ILE 64 Ca 0.52 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.75 2q5k s ILE 64 Cb -0.29 -0.05 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 2q5k s ILE 64 CO 0.33 0.02 0.06 -0.70 -1.91 0.00 0.00 174.94 172.74 2q5k s GLU 65 N 0.30 3.65 -0.28 3.50 2.12 -0.38 -0.05 118.70 127.56 2q5k s GLU 65 Ca -0.02 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 54.81 2q5k s GLU 65 Cb -0.03 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.11 2q5k s GLU 65 CO -0.01 -0.16 -0.03 0.42 -0.54 0.00 0.00 175.26 174.94 2q5k s ILE 66 N 1.52 2.85 -1.56 -3.70 1.01 0.92 -0.96 121.20 121.28 2q5k s ILE 66 Ca 0.06 -1.34 -0.15 0.00 0.00 0.00 0.00 60.65 59.22 2q5k s ILE 66 Cb -0.15 -2.60 0.12 0.00 0.01 0.00 0.00 42.46 39.84 2q5k s ILE 66 CO 0.03 -0.03 0.78 0.00 0.00 0.00 0.00 174.94 175.72 2q5k n GLY 68 N -1.43 1.16 3.70 0.00 0.00 -1.26 -5.02 105.19 102.34 2q5k n GLY 68 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2q5k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q5k s HIS 69 N -3.55 3.41 -0.06 1.61 4.02 0.45 -5.06 115.29 116.10 2q5k s HIS 69 Ca 0.00 0.50 -0.23 0.00 1.02 0.00 0.00 55.06 56.34 2q5k s HIS 69 Cb 0.00 -2.35 -0.04 0.00 -1.02 0.00 0.00 32.58 29.18 2q5k s HIS 69 CO 0.00 0.16 0.69 -1.59 1.02 0.00 0.00 174.74 175.02 2q5k s LYS 70 N 0.76 4.43 0.12 1.40 0.00 -1.26 -0.05 119.74 125.13 2q5k s LYS 70 Ca 0.14 0.87 0.06 0.00 0.00 0.00 0.00 55.97 57.04 2q5k s LYS 70 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 37.83 34.22 2q5k s LYS 70 CO 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 175.35 175.33 2q5k s ALA 71 N 0.70 1.50 -0.18 0.59 0.00 0.93 -4.74 121.76 120.57 2q5k s ALA 71 Ca 0.37 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2q5k s ALA 71 Cb -0.18 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 22.90 2q5k s ALA 71 CO 0.18 0.14 0.06 0.42 0.00 0.00 0.00 175.76 176.56 2q5k s ILE 72 N -1.93 0.27 0.00 0.00 1.01 -1.26 0.26 121.20 119.55 2q5k s ILE 72 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2q5k s ILE 72 Cb -0.06 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2q5k s ILE 72 CO 0.03 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2q5k n GLY 73 N 5.14 1.78 3.73 6.18 0.00 -0.63 -4.77 105.19 116.62 2q5k n GLY 73 Ca -0.08 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 2q5k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q5k s THR 74 N -2.62 4.45 -0.07 2.61 2.01 -1.26 -1.09 115.64 119.67 2q5k s THR 74 Ca 0.00 2.04 0.01 0.00 0.31 0.00 0.00 61.69 64.05 2q5k s THR 74 Cb 0.00 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.22 2q5k s THR 74 CO 0.00 0.35 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 2q5k s VAL 75 N -0.20 0.91 -0.05 3.82 1.01 -0.08 -4.49 120.40 121.32 2q5k s VAL 75 Ca 0.45 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2q5k s VAL 75 Cb -0.23 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2q5k s VAL 75 CO 0.30 0.32 0.32 -0.76 0.00 0.00 0.00 175.10 175.28 2q5k s LEU 76 N 1.10 4.43 -0.13 3.92 1.43 0.20 -0.89 118.68 128.74 2q5k s LEU 76 Ca -0.07 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2q5k s LEU 76 Cb -0.14 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2q5k s LEU 76 CO -0.01 0.32 -0.17 -0.69 0.23 0.00 0.00 176.35 176.03 2q5k s VAL 77 N -0.90 1.67 0.00 -1.59 1.01 -0.17 -0.17 120.40 120.25 2q5k s VAL 77 Ca 0.21 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2q5k s VAL 77 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2q5k s VAL 77 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2q5k n GLY 78 N 4.30 0.68 2.03 4.51 0.00 -0.60 -0.47 105.19 115.63 2q5k n GLY 78 Ca -0.19 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2q5k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q5k n PRO 79 N 0.00 2.00 -2.21 1.61 -0.04 -1.26 -3.11 135.00 131.99 2q5k n PRO 79 Ca 0.00 -1.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.06 2q5k n PRO 79 Cb 0.00 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 2q5k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q5k s THR 80 N 1.10 2.96 0.44 0.52 -1.32 -1.26 -4.93 115.64 113.15 2q5k s THR 80 Ca 0.65 0.86 0.33 0.00 -1.21 0.00 0.00 61.69 62.32 2q5k s THR 80 Cb 0.31 -3.51 0.35 0.00 -1.51 0.00 0.00 72.50 68.14 2q5k s THR 80 CO -0.00 0.13 2.15 -0.65 -2.21 0.00 0.00 174.62 174.04 2q5k h PRO 81 N 2.89 0.00 -2.70 7.08 0.11 -1.98 -3.44 132.00 133.96 2q5k h PRO 81 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2q5k h PRO 81 Cb 1.23 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.14 2q5k h PRO 81 CO 0.63 0.06 -0.15 0.54 -0.21 0.00 0.00 178.00 178.88 2q5k s VAL 82 N -4.14 0.03 0.17 3.15 0.11 -1.26 -5.08 120.40 113.38 2q5k s VAL 82 Ca -0.03 -0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 58.46 2q5k s VAL 82 Cb 0.13 -0.71 -0.10 0.00 -1.53 0.00 0.00 36.38 34.17 2q5k s VAL 82 CO 0.53 -0.14 1.51 0.20 -3.33 0.00 0.00 175.10 173.87 2q5k s ASN 83 N -0.92 6.65 -0.12 3.54 0.01 -1.26 -4.73 114.94 118.11 2q5k s ASN 83 Ca -0.10 2.57 0.01 0.00 -0.71 0.00 0.00 52.86 54.63 2q5k s ASN 83 Cb -0.04 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2q5k s ASN 83 CO 0.05 -0.77 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.12 2q5k s ILE 84 N 0.89 1.33 -0.38 0.60 1.01 0.77 -0.39 121.20 125.03 2q5k s ILE 84 Ca 0.67 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 2q5k s ILE 84 Cb -0.42 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 40.79 2q5k s ILE 84 CO 0.34 0.41 0.37 -0.63 0.00 0.00 0.00 174.94 175.43 2q5k s ILE 85 N 1.30 5.16 0.60 2.92 -1.09 0.66 -1.22 121.20 129.53 2q5k s ILE 85 Ca -0.01 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.24 2q5k s ILE 85 Cb -0.14 -3.91 0.11 0.00 -1.58 0.00 0.00 42.46 36.95 2q5k s ILE 85 CO -0.05 -0.24 0.82 0.61 -1.23 0.00 0.00 174.94 174.85 2q5k n GLY 86 N 5.05 1.18 0.35 6.18 0.00 -1.18 -1.01 105.19 115.76 2q5k n GLY 86 Ca -0.09 -2.10 0.14 0.00 0.00 0.00 0.00 46.02 43.97 2q5k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q5k h ARG 87 N 0.00 0.20 -0.45 1.61 3.08 -1.11 -1.17 114.38 116.55 2q5k h ARG 87 Ca -0.27 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.80 2q5k h ARG 87 Cb 1.10 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2q5k h ARG 87 CO 0.33 0.13 0.30 -2.95 -1.07 0.00 0.00 179.97 176.71 2q5k h ASN 88 N 0.21 0.40 0.05 7.04 -1.07 -1.81 -1.99 115.58 118.40 2q5k h ASN 88 Ca 0.22 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.22 2q5k h ASN 88 Cb 0.59 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.68 2q5k h ASN 88 CO -0.04 0.27 -2.34 0.18 0.07 0.00 0.00 177.43 175.58 2q5k n LEU 89 N -4.48 0.75 -0.30 6.14 4.77 -0.76 -4.06 117.00 119.07 2q5k n LEU 89 Ca 0.05 0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 2q5k n LEU 89 Cb 0.17 0.14 0.23 0.00 -2.33 0.00 0.00 43.42 41.63 2q5k n LEU 89 CO 0.35 0.59 1.25 -0.07 -1.33 0.00 0.00 177.39 178.18 2q5k h LEU 90 N 0.00 0.92 -0.91 2.23 3.38 -1.08 -1.40 115.31 118.46 2q5k h LEU 90 Ca -0.53 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 2q5k h LEU 90 Cb 2.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2q5k h LEU 90 CO 0.01 0.61 -0.32 0.71 0.09 0.00 0.00 178.44 179.55 2q5k h THR 91 N 1.06 1.28 -0.35 0.22 1.35 -1.56 -0.98 112.91 113.93 2q5k h THR 91 Ca 0.37 -1.37 -0.06 0.00 -0.55 0.00 0.00 66.41 64.80 2q5k h THR 91 Cb 0.13 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 2q5k h THR 91 CO -0.13 0.43 -0.02 1.56 -0.25 0.00 0.00 175.52 177.11 2q5k h GLN 92 N 0.36 0.56 -0.41 4.72 4.20 -1.41 -2.80 115.11 120.34 2q5k h GLN 92 Ca 0.05 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2q5k h GLN 92 Cb 0.74 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2q5k h GLN 92 CO 0.06 0.60 0.00 0.44 -0.67 0.00 0.00 178.83 179.26 2q5k n ILE 93 N -4.26 0.54 -1.37 2.54 -5.35 -0.97 -4.95 119.36 105.54 2q5k n ILE 93 Ca 0.02 -0.59 -0.02 0.00 -0.27 0.00 0.00 62.75 61.88 2q5k n ILE 93 Cb 0.26 0.40 -0.01 0.00 -1.74 0.00 0.00 39.64 38.56 2q5k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q5k n GLY 94 N 1.26 0.46 3.72 3.28 0.00 -1.06 -5.01 105.19 107.85 2q5k n GLY 94 Ca 0.16 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2q5k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5k s THR 96 N 0.38 1.06 -0.07 0.00 -4.23 -1.26 -4.62 115.64 106.88 2q5k s THR 96 Ca 0.52 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 2q5k s THR 96 Cb -0.26 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 2q5k s THR 96 CO 0.31 -0.69 0.27 -0.76 -0.54 0.00 0.00 174.62 173.21 2q5k s LEU 97 N -3.17 4.41 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.77 2q5k s LEU 97 Ca 0.18 0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2q5k s LEU 97 Cb 0.04 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2q5k s LEU 97 CO 0.01 0.34 0.02 0.20 0.23 0.00 0.00 176.35 177.15 2q5k s ASN 98 N -0.89 -0.01 0.00 2.29 0.01 -1.26 -5.30 114.94 109.78 2q5k s ASN 98 Ca 0.19 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 2q5k s ASN 98 Cb -0.14 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.54 2q5k s ASN 98 CO 0.08 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.88