#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g69 s GLN 2 N 0.00 2.40 -0.26 -0.52 0.74 -1.26 -5.10 119.66 115.66 2g69 s GLN 2 Ca 0.00 -1.24 -0.08 0.00 0.05 0.00 0.00 55.36 54.09 2g69 s GLN 2 Cb 0.00 -2.86 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 2g69 s GLN 2 CO 0.00 -0.50 0.10 0.42 -0.55 0.00 0.00 175.29 174.75 2g69 s ILE 3 N 1.15 4.45 0.72 -2.34 1.01 -1.26 -5.10 121.20 119.84 2g69 s ILE 3 Ca -0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 2g69 s ILE 3 Cb -0.19 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.21 2g69 s ILE 3 CO -0.06 0.27 1.07 0.42 0.00 0.00 0.00 174.94 176.64 2g69 s THR 4 N 1.63 2.61 -0.17 2.92 -4.23 -1.26 -5.03 115.64 112.11 2g69 s THR 4 Ca 0.06 -0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.73 2g69 s THR 4 Cb -0.16 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.89 2g69 s THR 4 CO 0.05 -0.18 1.21 0.18 -0.54 0.00 0.00 174.62 175.33 2g69 n LEU 5 N -3.02 2.67 0.08 4.79 4.77 -1.26 -4.57 117.00 120.46 2g69 n LEU 5 Ca 0.07 -3.37 0.01 0.00 -0.03 0.00 0.00 56.01 52.69 2g69 n LEU 5 Cb 0.60 -0.48 0.35 0.00 -2.33 0.00 0.00 43.42 41.55 2g69 n LEU 5 CO 0.55 0.95 0.89 -0.50 -1.33 0.00 0.00 177.39 177.95 2g69 h TRP 6 N 0.49 0.35 -1.67 -1.77 4.06 -2.06 -3.43 115.95 111.93 2g69 h TRP 6 Ca 0.01 -0.04 -0.61 0.00 2.06 0.00 0.00 58.89 60.31 2g69 h TRP 6 Cb 1.07 -0.10 -0.12 0.00 -1.00 0.00 0.00 29.16 29.01 2g69 h TRP 6 CO 0.32 0.44 -0.58 -1.59 -3.56 0.00 0.00 178.44 173.48 2g69 s LYS 7 N -4.77 2.03 0.36 0.49 -2.85 -1.26 -5.10 119.74 108.63 2g69 s LYS 7 Ca -0.06 -2.02 -0.28 0.00 -1.00 0.00 0.00 55.97 52.61 2g69 s LYS 7 Cb 0.15 -1.74 -0.11 0.00 -2.06 0.00 0.00 37.83 34.07 2g69 s LYS 7 CO 0.75 -0.05 1.50 1.03 0.10 0.00 0.00 175.35 178.68 2g69 s ARG 8 N -3.75 4.12 -1.32 1.78 0.52 -1.26 -4.85 118.95 114.18 2g69 s ARG 8 Ca 0.36 2.56 -0.15 0.00 -0.52 0.00 0.00 55.73 57.99 2g69 s ARG 8 Cb 0.08 -2.98 0.10 0.00 0.52 0.00 0.00 34.95 32.66 2g69 s ARG 8 CO 0.19 -0.55 1.83 -0.35 0.02 0.00 0.00 175.30 176.44 2g69 n PRO 9 N 0.82 3.21 -3.44 3.54 -0.04 -1.26 -4.93 135.00 132.89 2g69 n PRO 9 Ca 0.02 -3.26 -0.37 0.00 -0.04 0.00 0.00 63.50 59.85 2g69 n PRO 9 Cb 0.39 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.53 2g69 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2g69 s LEU 10 N 2.46 4.31 0.19 1.53 1.43 -1.26 -1.23 118.68 126.11 2g69 s LEU 10 Ca 0.48 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2g69 s LEU 10 Cb 0.06 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 2g69 s LEU 10 CO 0.01 0.11 0.01 0.68 0.23 0.00 0.00 176.35 177.39 2g69 s VAL 11 N 0.18 0.76 -0.05 -1.59 -7.23 -0.03 -4.94 120.40 107.50 2g69 s VAL 11 Ca 0.22 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.13 2g69 s VAL 11 Cb -0.15 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2g69 s VAL 11 CO 0.08 -0.40 0.80 -0.89 -0.31 0.00 0.00 175.10 174.38 2g69 s THR 12 N -3.60 4.98 0.25 5.32 2.01 -1.26 -1.03 115.64 122.31 2g69 s THR 12 Ca 0.26 1.66 0.10 0.00 0.31 0.00 0.00 61.69 64.02 2g69 s THR 12 Cb 0.06 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2g69 s THR 12 CO 0.06 0.21 -0.08 0.27 -0.69 0.00 0.00 174.62 174.38 2g69 s ILE 13 N 0.96 3.09 -0.13 1.82 -4.36 0.11 -1.12 121.20 121.57 2g69 s ILE 13 Ca 0.42 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 2g69 s ILE 13 Cb -0.19 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.92 2g69 s ILE 13 CO 0.21 -0.33 -0.13 -0.75 0.24 0.00 0.00 174.94 174.18 2g69 s LYS 14 N -3.46 2.10 -0.11 0.37 2.20 0.04 -1.19 119.74 119.70 2g69 s LYS 14 Ca 0.30 -0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 55.34 2g69 s LYS 14 Cb -0.06 -1.94 0.04 0.00 -1.51 0.00 0.00 37.83 34.35 2g69 s LYS 14 CO 0.17 -0.21 0.28 -1.50 -0.36 0.00 0.00 175.35 173.73 2g69 s ILE 15 N 1.43 -0.02 -1.30 5.43 2.07 -0.41 -0.72 121.20 127.68 2g69 s ILE 15 Ca 0.03 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2g69 s ILE 15 Cb -0.13 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.07 2g69 s ILE 15 CO -0.08 0.03 0.20 0.61 -1.91 0.00 0.00 174.94 173.79 2g69 n GLY 16 N 3.59 -0.50 2.09 1.50 0.00 -1.26 -1.30 105.19 109.30 2g69 n GLY 16 Ca -0.19 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 2g69 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g69 n GLY 17 N -1.03 0.46 3.43 -0.02 0.00 -1.26 -5.00 105.19 101.76 2g69 n GLY 17 Ca -0.13 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2g69 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g69 s GLN 18 N -0.25 2.57 -0.03 1.61 -0.21 -0.42 -5.12 119.66 117.81 2g69 s GLN 18 Ca 0.00 -0.74 -0.21 0.00 0.02 0.00 0.00 55.36 54.43 2g69 s GLN 18 Cb 0.00 -2.36 -0.05 0.00 1.00 0.00 0.00 33.01 31.60 2g69 s GLN 18 CO 0.00 0.55 0.62 -0.51 -2.12 0.00 0.00 175.29 173.82 2g69 s LEU 19 N -0.54 4.38 0.08 2.90 1.43 -1.26 -1.29 118.68 124.39 2g69 s LEU 19 Ca 0.07 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2g69 s LEU 19 Cb -0.11 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2g69 s LEU 19 CO 0.01 0.04 -0.05 -0.54 0.23 0.00 0.00 176.35 176.04 2g69 s LYS 20 N 0.12 0.75 -0.09 1.70 1.02 -0.33 -4.99 119.74 117.91 2g69 s LYS 20 Ca 0.32 -1.29 -0.12 0.00 0.02 0.00 0.00 55.97 54.90 2g69 s LYS 20 Cb -0.18 -0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.04 2g69 s LYS 20 CO 0.17 -0.06 0.28 -2.00 -0.92 0.00 0.00 175.35 172.83 2g69 s GLU 21 N -3.87 3.89 0.03 1.68 2.12 -1.26 -0.71 118.70 120.58 2g69 s GLU 21 Ca 0.10 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.53 2g69 s GLU 21 Cb 0.06 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2g69 s GLU 21 CO -0.07 0.56 0.03 0.00 -0.54 0.00 0.00 175.26 175.24 2g69 s ALA 22 N -0.52 0.09 -0.20 6.30 0.00 -0.20 -4.42 121.76 122.81 2g69 s ALA 22 Ca 0.18 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2g69 s ALA 22 Cb -0.14 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2g69 s ALA 22 CO 0.07 -0.26 0.39 -1.17 0.00 0.00 0.00 175.76 174.80 2g69 s LEU 23 N -1.95 4.16 -0.41 0.00 2.96 0.32 -0.85 118.68 122.90 2g69 s LEU 23 Ca -0.08 0.52 -0.27 0.00 -0.22 0.00 0.00 54.13 54.08 2g69 s LEU 23 Cb -0.03 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.17 2g69 s LEU 23 CO -0.04 -0.07 1.01 -0.76 -1.32 0.00 0.00 176.35 175.18 2g69 s LEU 24 N 1.25 3.88 -0.33 -0.68 1.43 -0.36 -0.68 118.68 123.20 2g69 s LEU 24 Ca 0.19 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2g69 s LEU 24 Cb -0.15 -3.38 0.10 0.00 0.03 0.00 0.00 46.19 42.79 2g69 s LEU 24 CO 0.08 -1.01 0.07 -0.62 0.23 0.00 0.00 176.35 175.09 2g69 s ASP 25 N 2.08 4.49 0.46 2.29 -1.08 -0.19 -4.78 116.67 119.94 2g69 s ASP 25 Ca 0.42 -1.96 0.31 0.00 -0.52 0.00 0.00 52.55 50.80 2g69 s ASP 25 Cb -0.10 -1.34 1.31 0.00 -1.46 0.00 0.00 42.92 41.33 2g69 s ASP 25 CO 0.23 -0.39 1.92 0.71 0.52 0.00 0.00 175.17 178.16 2g69 h THR 26 N 6.57 0.00 -0.02 1.71 1.35 -1.95 -2.48 112.91 118.09 2g69 h THR 26 Ca -0.08 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2g69 h THR 26 Cb 1.02 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2g69 h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2g69 n GLY 27 N -0.08 -0.22 3.68 5.82 0.00 -1.26 -4.82 105.19 108.31 2g69 n GLY 27 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 2g69 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g69 s ALA 28 N -1.99 3.54 0.16 4.61 0.00 -0.93 -4.99 121.76 122.15 2g69 s ALA 28 Ca 0.40 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 2g69 s ALA 28 Cb 0.21 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2g69 s ALA 28 CO 0.34 0.18 1.40 -0.44 0.00 0.00 0.00 175.76 177.24 2g69 h ASP 29 N 6.63 0.58 -2.55 0.00 3.32 -1.88 0.17 116.42 122.69 2g69 h ASP 29 Ca -0.39 -0.39 -0.54 0.00 0.02 0.00 0.00 57.03 55.73 2g69 h ASP 29 Cb 1.16 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 2g69 h ASP 29 CO 0.73 1.14 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.98 2g69 s ASP 30 N -7.01 3.02 -0.16 6.45 1.01 -1.26 -2.16 116.67 116.57 2g69 s ASP 30 Ca -0.07 -1.39 -0.04 0.00 0.71 0.00 0.00 52.55 51.77 2g69 s ASP 30 Cb 0.10 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 2g69 s ASP 30 CO 0.85 -0.56 -0.04 -0.89 0.21 0.00 0.00 175.17 174.75 2g69 s THR 31 N -3.05 3.88 -0.11 -1.27 2.01 -1.26 -3.10 115.64 112.74 2g69 s THR 31 Ca 0.35 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.00 2g69 s THR 31 Cb 0.09 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2g69 s THR 31 CO 0.16 0.49 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.77 2g69 s VAL 32 N 0.36 1.32 0.04 3.82 1.01 -0.56 -1.21 120.40 125.19 2g69 s VAL 32 Ca -0.04 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2g69 s VAL 32 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2g69 s VAL 32 CO 0.03 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.70 2g69 s ILE 33 N 1.20 1.71 0.87 2.22 -1.09 0.31 -0.77 121.20 125.66 2g69 s ILE 33 Ca -0.03 -1.20 -0.13 0.00 -2.23 0.00 0.00 60.65 57.06 2g69 s ILE 33 Cb -0.14 -1.48 0.06 0.00 -1.58 0.00 0.00 42.46 39.32 2g69 s ILE 33 CO -0.04 0.23 0.80 -1.84 -1.23 0.00 0.00 174.94 172.86 2g69 n GLU 34 N 1.87 -0.11 -1.67 2.79 0.28 -1.24 -1.21 120.64 121.35 2g69 n GLU 34 Ca -0.17 0.03 -0.44 0.00 -0.16 0.00 0.00 57.16 56.42 2g69 n GLU 34 Cb 0.53 -2.12 -0.02 0.00 1.43 0.00 0.00 31.44 31.26 2g69 n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2g69 n GLU 35 N -2.52 2.01 -3.66 3.44 1.02 -1.09 -4.43 120.64 115.41 2g69 n GLU 35 Ca 0.10 0.71 -0.08 0.00 -0.02 0.00 0.00 57.16 57.87 2g69 n GLU 35 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.60 2g69 n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g69 s MET 36 N -1.06 1.42 -0.18 3.49 0.23 -1.26 -5.02 119.30 116.92 2g69 s MET 36 Ca 0.63 -0.69 -0.29 0.00 -1.03 0.00 0.00 55.69 54.30 2g69 s MET 36 Cb -0.62 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.18 2g69 s MET 36 CO 0.55 -0.64 1.71 0.45 -2.03 0.00 0.00 175.02 175.06 2g69 s SER 37 N -2.82 6.31 0.02 -1.18 0.15 -1.26 -5.04 113.70 109.88 2g69 s SER 37 Ca 0.07 1.79 0.01 0.00 0.70 0.00 0.00 55.95 58.52 2g69 s SER 37 Cb -0.03 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2g69 s SER 37 CO -0.02 -1.29 -0.03 -0.76 1.20 0.00 0.00 173.24 172.34 2g69 s LEU 38 N 5.36 2.16 0.48 3.45 1.43 -1.26 -4.82 118.68 125.48 2g69 s LEU 38 Ca 0.76 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2g69 s LEU 38 Cb -0.28 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 2g69 s LEU 38 CO 0.31 -0.17 0.78 -2.16 0.23 0.00 0.00 176.35 175.34 2g69 s PRO 39 N -1.00 3.50 0.00 1.29 0.04 -1.26 -5.01 135.00 132.57 2g69 s PRO 39 Ca -0.09 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2g69 s PRO 39 Cb -0.07 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2g69 s PRO 39 CO -0.00 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2g69 n GLY 40 N -2.25 1.28 3.89 0.56 0.00 -1.26 -5.03 105.19 102.38 2g69 n GLY 40 Ca 0.00 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 2g69 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2g69 s ARG 41 N -1.65 3.66 0.17 1.61 1.04 -1.26 -5.10 118.95 117.41 2g69 s ARG 41 Ca 0.00 0.29 -0.13 0.00 -1.04 0.00 0.00 55.73 54.85 2g69 s ARG 41 Cb 0.00 -2.42 0.01 0.00 -2.04 0.00 0.00 34.95 30.50 2g69 s ARG 41 CO 0.00 -0.07 0.38 1.67 -0.04 0.00 0.00 175.30 177.24 2g69 s TRP 42 N -2.49 0.11 -0.04 5.89 1.48 -1.26 -4.66 118.94 117.97 2g69 s TRP 42 Ca 0.49 -0.47 0.07 0.00 -1.06 0.00 0.00 56.10 55.12 2g69 s TRP 42 Cb -0.10 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.35 2g69 s TRP 42 CO 0.37 -0.78 -0.25 0.15 -4.06 0.00 0.00 176.95 172.38 2g69 s LYS 43 N -3.91 2.31 0.27 3.25 1.02 -0.77 -4.90 119.74 117.02 2g69 s LYS 43 Ca 0.12 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 2g69 s LYS 43 Cb 0.02 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 2g69 s LYS 43 CO -0.03 0.43 1.17 -1.25 -0.92 0.00 0.00 175.35 174.75 2g69 s PRO 44 N -0.31 4.54 0.09 -1.68 0.04 -1.26 -0.44 135.00 135.98 2g69 s PRO 44 Ca 0.01 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 2g69 s PRO 44 Cb -0.12 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2g69 s PRO 44 CO 0.02 0.05 0.03 0.15 0.04 0.00 0.00 177.00 177.29 2g69 s LYS 45 N -1.20 0.78 -0.01 4.56 -0.14 -0.62 -4.90 119.74 118.21 2g69 s LYS 45 Ca 0.48 -1.30 0.07 0.00 -1.36 0.00 0.00 55.97 53.85 2g69 s LYS 45 Cb -0.34 0.24 -0.02 0.00 -1.68 0.00 0.00 37.83 36.03 2g69 s LYS 45 CO 0.42 -0.19 -0.22 -1.64 -0.76 0.00 0.00 175.35 172.96 2g69 s MET 46 N -3.98 1.75 0.22 1.68 -1.94 -1.26 -1.18 119.30 114.59 2g69 s MET 46 Ca 0.15 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2g69 s MET 46 Cb 0.07 -1.72 -0.05 0.00 2.01 0.00 0.00 34.83 35.15 2g69 s MET 46 CO -0.05 0.47 0.05 0.96 -0.01 0.00 0.00 175.02 176.45 2g69 s ILE 47 N -0.55 0.60 0.29 2.53 -4.36 -0.37 -4.95 121.20 114.40 2g69 s ILE 47 Ca 0.09 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 2g69 s ILE 47 Cb -0.09 -2.40 -0.10 0.00 1.25 0.00 0.00 42.46 41.13 2g69 s ILE 47 CO -0.01 -0.22 1.32 -0.83 0.24 0.00 0.00 174.94 175.45 2g69 s GLY 48 N -3.25 2.79 0.32 6.27 0.00 -1.26 0.84 107.32 113.03 2g69 s GLY 48 Ca 0.31 1.23 0.05 0.00 0.00 0.00 0.00 44.72 46.32 2g69 s GLY 48 CO 0.09 1.99 0.21 -0.32 0.00 0.00 0.00 173.10 175.07 2g69 s GLY 49 N -0.21 2.22 0.10 0.20 0.00 0.15 -4.70 107.32 105.08 2g69 s GLY 49 Ca 0.52 -1.82 -0.31 0.00 0.00 0.00 0.00 44.72 43.11 2g69 s GLY 49 CO 0.48 -1.55 1.66 -0.42 0.00 0.00 0.00 173.10 173.27 2g69 s ILE 50 N -3.52 2.88 0.00 0.90 1.01 -1.26 -2.54 121.20 118.67 2g69 s ILE 50 Ca 0.37 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2g69 s ILE 50 Cb 0.03 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2g69 s ILE 50 CO 0.21 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2g69 n GLY 51 N 3.98 3.24 0.00 6.18 0.00 -1.26 -4.87 105.19 112.46 2g69 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2g69 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g69 n GLY 52 N -1.21 -0.26 3.80 -0.02 0.00 -1.05 -5.14 105.19 101.31 2g69 n GLY 52 Ca 0.00 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2g69 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g69 s LEU 53 N 0.00 3.81 0.10 0.99 1.43 -1.26 0.33 118.68 124.08 2g69 s LEU 53 Ca 0.00 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.02 2g69 s LEU 53 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 2g69 s LEU 53 CO 0.00 -0.74 -0.18 0.27 0.23 0.00 0.00 176.35 175.93 2g69 s ILE 54 N -2.12 1.55 -0.11 -0.59 -4.36 0.25 -4.75 121.20 111.07 2g69 s ILE 54 Ca 0.65 -1.55 -0.26 0.00 -0.26 0.00 0.00 60.65 59.23 2g69 s ILE 54 Cb -0.15 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.06 2g69 s ILE 54 CO 0.21 -0.16 0.83 -0.75 0.24 0.00 0.00 174.94 175.31 2g69 s LYS 55 N -2.05 4.38 0.16 0.37 2.47 -1.26 -1.23 119.74 122.58 2g69 s LYS 55 Ca 0.06 1.07 0.06 0.00 -1.56 0.00 0.00 55.97 55.59 2g69 s LYS 55 Cb -0.09 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 2g69 s LYS 55 CO 0.04 -0.18 -0.13 0.14 0.16 0.00 0.00 175.35 175.38 2g69 s VAL 56 N 1.62 1.42 -0.24 4.02 -7.23 -0.33 -4.31 120.40 115.34 2g69 s VAL 56 Ca 0.41 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 2g69 s VAL 56 Cb -0.18 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2g69 s VAL 56 CO 0.17 -0.62 0.13 -0.13 -0.31 0.00 0.00 175.10 174.34 2g69 s ARG 57 N -3.46 3.92 -0.34 4.82 0.52 0.44 -1.58 118.95 123.26 2g69 s ARG 57 Ca 0.17 -0.35 -0.19 0.00 -0.52 0.00 0.00 55.73 54.85 2g69 s ARG 57 Cb -0.00 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 2g69 s ARG 57 CO 0.03 -0.02 0.54 -1.14 0.02 0.00 0.00 175.30 174.73 2g69 s GLN 58 N 1.25 3.69 -0.20 3.54 0.74 0.42 -0.80 119.66 128.30 2g69 s GLN 58 Ca 0.06 -0.06 -0.08 0.00 0.05 0.00 0.00 55.36 55.34 2g69 s GLN 58 Cb -0.14 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.14 2g69 s GLN 58 CO 0.05 -0.63 0.07 0.71 -0.55 0.00 0.00 175.29 174.95 2g69 s TYR 59 N 2.45 3.22 0.13 1.67 1.51 -0.31 -1.84 117.35 124.19 2g69 s TYR 59 Ca 0.20 0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 2g69 s TYR 59 Cb -0.15 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2g69 s TYR 59 CO 0.13 0.05 0.25 -0.51 -1.11 0.00 0.00 175.55 174.36 2g69 s ASP 60 N 0.67 6.23 -1.25 2.29 1.01 -1.26 -0.88 116.67 123.48 2g69 s ASP 60 Ca 0.04 0.15 -0.08 0.00 0.71 0.00 0.00 52.55 53.37 2g69 s ASP 60 Cb -0.13 -1.86 0.01 0.00 1.01 0.00 0.00 42.92 41.95 2g69 s ASP 60 CO 0.02 0.08 1.09 0.00 0.21 0.00 0.00 175.17 176.57 2g69 n GLN 61 N -0.35 -7.36 -3.14 8.23 6.02 -1.13 -4.93 117.38 114.71 2g69 n GLN 61 Ca -0.07 0.77 -0.39 0.00 -0.01 0.00 0.00 57.00 57.30 2g69 n GLN 61 Cb 0.53 -5.65 -0.05 0.00 1.02 0.00 0.00 30.24 26.09 2g69 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2g69 s ILE 62 N -3.30 4.92 -0.07 5.09 -1.09 -0.32 -4.80 121.20 121.63 2g69 s ILE 62 Ca 0.51 1.33 -0.24 0.00 -2.23 0.00 0.00 60.65 60.02 2g69 s ILE 62 Cb -0.22 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 2g69 s ILE 62 CO 0.68 0.37 0.75 -0.63 -1.23 0.00 0.00 174.94 174.88 2g69 s ILE 63 N 0.08 5.01 0.00 2.92 -1.09 -1.26 -1.91 121.20 124.95 2g69 s ILE 63 Ca 0.33 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.30 2g69 s ILE 63 Cb -0.18 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 2g69 s ILE 63 CO 0.18 0.22 -0.05 -0.51 -1.23 0.00 0.00 174.94 173.55 2g69 s ILE 64 N 0.98 0.36 -0.14 2.92 2.07 -0.07 -4.55 121.20 122.77 2g69 s ILE 64 Ca 0.39 -0.31 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 2g69 s ILE 64 Cb -0.18 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 2g69 s ILE 64 CO 0.19 0.03 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.52 2g69 s GLU 65 N -0.31 3.55 -0.28 3.50 2.12 0.10 -1.04 118.70 126.35 2g69 s GLU 65 Ca -0.00 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.87 2g69 s GLU 65 Cb -0.03 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.53 2g69 s GLU 65 CO -0.00 0.33 -0.06 0.42 -0.54 0.00 0.00 175.26 175.41 2g69 s ILE 66 N 0.12 2.12 -1.68 -3.70 1.01 0.77 -0.78 121.20 119.05 2g69 s ILE 66 Ca -0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 60.65 58.72 2g69 s ILE 66 Cb -0.13 -2.32 0.15 0.00 0.01 0.00 0.00 42.46 40.16 2g69 s ILE 66 CO 0.02 -0.18 0.75 0.00 0.00 0.00 0.00 174.94 175.54 2g69 n ALA 67 N 4.42 -1.32 -0.36 9.38 0.00 -0.27 -1.03 120.51 131.32 2g69 n ALA 67 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2g69 n ALA 67 Cb 0.42 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.55 2g69 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g69 n GLY 68 N -1.45 0.82 3.52 0.00 0.00 -1.26 -4.93 105.19 101.88 2g69 n GLY 68 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2g69 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2g69 s HIS 69 N -2.80 3.14 0.16 1.61 4.02 -0.20 -5.07 115.29 116.16 2g69 s HIS 69 Ca 0.00 -0.21 -0.26 0.00 1.02 0.00 0.00 55.06 55.61 2g69 s HIS 69 Cb 0.00 -2.21 -0.08 0.00 -1.02 0.00 0.00 32.58 29.27 2g69 s HIS 69 CO 0.00 -0.19 0.80 0.15 1.02 0.00 0.00 174.74 176.52 2g69 s LYS 70 N 1.27 4.60 0.01 1.40 1.02 -1.26 -0.16 119.74 126.63 2g69 s LYS 70 Ca 0.05 1.20 -0.06 0.00 0.02 0.00 0.00 55.97 57.19 2g69 s LYS 70 Cb -0.15 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2g69 s LYS 70 CO 0.04 0.53 0.10 0.00 -0.92 0.00 0.00 175.35 175.10 2g69 s ALA 71 N -1.03 -0.19 -0.12 5.17 0.00 -0.21 -4.84 121.76 120.55 2g69 s ALA 71 Ca 0.37 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2g69 s ALA 71 Cb -0.23 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2g69 s ALA 71 CO 0.27 -0.22 -0.17 0.42 0.00 0.00 0.00 175.76 176.06 2g69 s ILE 72 N -1.66 2.71 0.00 0.00 1.01 -1.26 -0.90 121.20 121.11 2g69 s ILE 72 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2g69 s ILE 72 Cb -0.07 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2g69 s ILE 72 CO -0.00 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2g69 n GLY 73 N 3.54 0.49 3.78 6.18 0.00 -0.80 -4.93 105.19 113.45 2g69 n GLY 73 Ca -0.18 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 2g69 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g69 s THR 74 N -2.06 4.61 -0.04 2.61 2.01 -1.26 -1.18 115.64 120.33 2g69 s THR 74 Ca 0.00 1.50 0.03 0.00 0.31 0.00 0.00 61.69 63.54 2g69 s THR 74 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2g69 s THR 74 CO 0.00 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 2g69 s VAL 75 N -0.78 1.22 -0.23 3.82 1.01 -0.06 -4.55 120.40 120.82 2g69 s VAL 75 Ca 0.34 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2g69 s VAL 75 Cb -0.21 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 2g69 s VAL 75 CO 0.23 0.36 0.19 -0.76 0.00 0.00 0.00 175.10 175.11 2g69 s LEU 76 N 0.18 4.12 -0.19 3.92 1.43 -0.35 -1.16 118.68 126.65 2g69 s LEU 76 Ca -0.05 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2g69 s LEU 76 Cb -0.11 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2g69 s LEU 76 CO 0.02 0.05 -0.13 -0.69 0.23 0.00 0.00 176.35 175.84 2g69 s VAL 77 N 1.06 2.73 -0.02 -1.59 1.01 0.02 -0.53 120.40 123.09 2g69 s VAL 77 Ca 0.09 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2g69 s VAL 77 Cb -0.14 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.11 2g69 s VAL 77 CO 0.05 0.49 0.76 0.61 0.00 0.00 0.00 175.10 177.00 2g69 n GLY 78 N 4.51 0.38 3.04 4.51 0.00 -0.35 -0.42 105.19 116.87 2g69 n GLY 78 Ca -0.19 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2g69 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2g69 n PRO 79 N -0.54 3.05 -3.62 1.61 -0.04 -1.26 -2.67 135.00 131.53 2g69 n PRO 79 Ca 0.03 -2.94 -0.35 0.00 -0.04 0.00 0.00 63.50 60.20 2g69 n PRO 79 Cb 0.34 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.43 2g69 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2g69 s THR 80 N 3.23 5.14 -0.20 0.52 -1.32 -1.26 -5.00 115.64 116.75 2g69 s THR 80 Ca 0.48 0.38 0.29 0.00 -1.21 0.00 0.00 61.69 61.63 2g69 s THR 80 Cb 0.10 -3.63 0.36 0.00 -1.51 0.00 0.00 72.50 67.81 2g69 s THR 80 CO -0.02 0.30 1.81 1.55 -2.21 0.00 0.00 174.62 176.05 2g69 h PRO 81 N 3.76 0.00 -3.73 7.08 0.13 -1.99 -3.43 132.00 133.82 2g69 h PRO 81 Ca -0.49 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.32 2g69 h PRO 81 Cb 1.19 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.99 2g69 h PRO 81 CO 0.66 0.00 -0.74 0.08 -0.23 0.00 0.00 178.00 177.77 2g69 s VAL 82 N -3.44 0.13 -0.04 1.56 1.01 -1.26 -5.11 120.40 113.25 2g69 s VAL 82 Ca 0.04 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2g69 s VAL 82 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2g69 s VAL 82 CO 0.58 0.12 1.27 0.20 0.00 0.00 0.00 175.10 177.26 2g69 s ASN 83 N 0.84 6.98 -0.16 3.32 0.01 -1.26 -4.83 114.94 119.84 2g69 s ASN 83 Ca -0.08 1.91 0.01 0.00 -0.71 0.00 0.00 52.86 53.99 2g69 s ASN 83 Cb -0.11 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.00 2g69 s ASN 83 CO -0.02 -0.63 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.12 2g69 s ILE 84 N 2.30 2.24 -0.41 0.60 1.01 0.05 -0.52 121.20 126.46 2g69 s ILE 84 Ca 0.58 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 2g69 s ILE 84 Cb -0.27 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2g69 s ILE 84 CO 0.23 0.53 0.44 -0.63 0.00 0.00 0.00 174.94 175.51 2g69 s ILE 85 N 1.06 5.09 0.33 2.92 -1.09 0.15 -1.50 121.20 128.16 2g69 s ILE 85 Ca -0.01 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 2g69 s ILE 85 Cb -0.14 -4.02 0.06 0.00 -1.58 0.00 0.00 42.46 36.78 2g69 s ILE 85 CO -0.06 -0.39 0.46 0.61 -1.23 0.00 0.00 174.94 174.32 2g69 n GLY 86 N 5.09 1.30 0.23 6.18 0.00 -1.18 -1.02 105.19 115.80 2g69 n GLY 86 Ca -0.07 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.93 2g69 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2g69 h ARG 87 N 0.00 0.00 -0.63 1.61 3.08 -0.92 -0.82 114.38 116.70 2g69 h ARG 87 Ca -0.15 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.04 2g69 h ARG 87 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2g69 h ARG 87 CO 0.19 0.15 0.43 -2.95 -1.07 0.00 0.00 179.97 176.72 2g69 h ASN 88 N 0.00 0.21 0.00 7.04 -0.00 -1.70 -1.25 115.58 119.89 2g69 h ASN 88 Ca -0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 56.30 55.97 2g69 h ASN 88 Cb 0.27 -0.03 -0.06 0.00 -0.00 0.00 0.00 38.32 38.49 2g69 h ASN 88 CO 0.02 0.12 -2.27 0.18 -0.00 0.00 0.00 177.43 175.48 2g69 n LEU 89 N -4.43 0.08 -0.09 6.14 4.77 -0.63 -4.29 117.00 118.54 2g69 n LEU 89 Ca 0.12 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.16 2g69 n LEU 89 Cb 0.54 0.42 0.41 0.00 -2.33 0.00 0.00 43.42 42.45 2g69 n LEU 89 CO 0.35 0.47 1.19 -0.07 -1.33 0.00 0.00 177.39 178.00 2g69 h LEU 90 N 0.00 0.53 -1.30 2.23 3.38 -0.91 -1.09 115.31 118.15 2g69 h LEU 90 Ca -0.50 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 2g69 h LEU 90 Cb 2.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2g69 h LEU 90 CO 0.02 0.36 -0.20 0.71 0.09 0.00 0.00 178.44 179.42 2g69 h THR 91 N 0.62 1.21 0.00 0.22 1.35 -1.44 -2.04 112.91 112.83 2g69 h THR 91 Ca 0.24 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 2g69 h THR 91 Cb 0.18 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2g69 h THR 91 CO -0.07 0.29 -0.05 1.56 -0.25 0.00 0.00 175.52 177.01 2g69 h GLN 92 N 0.20 0.00 -0.51 4.72 1.08 -1.38 -2.71 115.11 116.51 2g69 h GLN 92 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2g69 h GLN 92 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2g69 h GLN 92 CO 0.03 0.05 0.00 0.44 -0.95 0.00 0.00 178.83 178.40 2g69 n ILE 93 N -3.14 0.80 -1.83 2.54 -5.35 -1.06 -4.88 119.36 106.44 2g69 n ILE 93 Ca 0.01 -0.90 -0.06 0.00 -0.27 0.00 0.00 62.75 61.54 2g69 n ILE 93 Cb 0.38 0.69 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 2g69 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2g69 n GLY 94 N 1.29 0.34 3.74 3.28 0.00 -1.02 -4.98 105.19 107.85 2g69 n GLY 94 Ca 0.19 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2g69 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g69 s ALA 95 N -2.27 3.45 0.09 4.61 0.00 -0.79 -5.04 121.76 121.82 2g69 s ALA 95 Ca 0.00 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.01 2g69 s ALA 95 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2g69 s ALA 95 CO 0.00 -0.40 -0.12 0.95 0.00 0.00 0.00 175.76 176.19 2g69 s THR 96 N -0.27 1.09 -0.16 0.00 -4.23 -1.26 -4.77 115.64 106.04 2g69 s THR 96 Ca 0.52 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.38 2g69 s THR 96 Cb -0.34 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 2g69 s THR 96 CO 0.39 -0.39 0.32 -0.76 -0.54 0.00 0.00 174.62 173.64 2g69 s LEU 97 N -2.14 4.24 -0.04 4.79 1.43 -1.26 -5.09 118.68 120.62 2g69 s LEU 97 Ca 0.03 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2g69 s LEU 97 Cb -0.06 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2g69 s LEU 97 CO 0.02 0.08 -0.12 0.20 0.23 0.00 0.00 176.35 176.76 2g69 s ASN 98 N 0.52 1.57 0.00 2.29 0.01 -1.26 -5.30 114.94 112.77 2g69 s ASN 98 Ca 0.18 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2g69 s ASN 98 Cb -0.13 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.04 2g69 s ASN 98 CO 0.05 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.94