#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6x s GLN 2 N 0.00 3.23 -0.13 0.54 0.74 -1.26 -5.10 119.66 117.69 1c6x s GLN 2 Ca 0.00 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.67 1c6x s GLN 2 Cb 0.00 -3.10 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 1c6x s GLN 2 CO 0.00 -0.29 -0.10 0.42 -0.55 0.00 0.00 175.29 174.78 1c6x s ILE 3 N 1.46 3.38 0.31 -2.34 1.01 -1.26 -5.12 121.20 118.65 1c6x s ILE 3 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1c6x s ILE 3 Cb -0.15 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1c6x s ILE 3 CO -0.02 0.52 0.53 0.42 0.00 0.00 0.00 174.94 176.39 1c6x s THR 4 N 0.19 5.10 -0.31 2.92 -4.23 -1.26 -5.03 115.64 113.02 1c6x s THR 4 Ca -0.06 -0.35 0.11 0.00 -1.18 0.00 0.00 61.69 60.22 1c6x s THR 4 Cb -0.15 -3.82 0.76 0.00 1.34 0.00 0.00 72.50 70.64 1c6x s THR 4 CO 0.04 -0.46 1.76 0.18 -0.54 0.00 0.00 174.62 175.61 1c6x n LEU 5 N -1.46 5.90 -0.05 4.79 4.77 -1.26 -4.34 117.00 125.34 1c6x n LEU 5 Ca -0.04 -3.04 -0.14 0.00 -0.03 0.00 0.00 56.01 52.76 1c6x n LEU 5 Cb 0.55 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1c6x n LEU 5 CO 0.49 0.73 0.51 -0.50 -1.33 0.00 0.00 177.39 177.28 1c6x h TRP 6 N 3.12 0.61 -0.92 -1.77 4.06 -2.06 -3.44 115.95 115.55 1c6x h TRP 6 Ca 0.16 -0.22 -0.49 0.00 2.06 0.00 0.00 58.89 60.40 1c6x h TRP 6 Cb 2.18 -0.11 0.04 0.00 -1.00 0.00 0.00 29.16 30.27 1c6x h TRP 6 CO 1.20 0.93 -0.05 -0.65 -3.56 0.00 0.00 178.44 176.31 1c6x s GLN 7 N -4.04 2.14 0.07 0.49 1.11 -1.26 -5.07 119.66 113.10 1c6x s GLN 7 Ca -0.13 -1.61 -0.30 0.00 0.01 0.00 0.00 55.36 53.33 1c6x s GLN 7 Cb 0.06 -2.59 -0.05 0.00 -1.01 0.00 0.00 33.01 29.42 1c6x s GLN 7 CO 0.80 -1.02 0.97 1.03 0.01 0.00 0.00 175.29 177.08 1c6x s ARG 8 N -4.78 4.64 -1.07 2.91 0.52 -1.26 -4.96 118.95 114.95 1c6x s ARG 8 Ca 0.63 1.45 -0.22 0.00 -0.52 0.00 0.00 55.73 57.07 1c6x s ARG 8 Cb -0.05 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1c6x s ARG 8 CO 0.40 0.11 1.73 -1.25 0.02 0.00 0.00 175.30 176.31 1c6x s PRO 9 N 0.37 3.21 -0.15 3.54 0.04 -1.26 -4.94 135.00 135.80 1c6x s PRO 9 Ca 0.49 -1.09 -0.04 0.00 0.04 0.00 0.00 61.00 60.40 1c6x s PRO 9 Cb -0.23 -5.30 -0.03 0.00 0.04 0.00 0.00 34.50 28.98 1c6x s PRO 9 CO 0.29 -2.84 -0.01 0.08 0.04 0.00 0.00 177.00 174.57 1c6x s VAL 10 N 7.23 4.18 0.42 -0.36 1.01 -1.26 -0.21 120.40 131.41 1c6x s VAL 10 Ca 0.58 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1c6x s VAL 10 Cb -0.01 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1c6x s VAL 10 CO 0.00 0.50 0.05 0.68 0.00 0.00 0.00 175.10 176.33 1c6x s VAL 11 N 0.21 1.24 -0.18 2.92 -7.23 -0.51 -4.92 120.40 111.93 1c6x s VAL 11 Ca -0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1c6x s VAL 11 Cb -0.13 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1c6x s VAL 11 CO 0.02 0.00 0.11 -0.89 -0.31 0.00 0.00 175.10 174.03 1c6x s THR 12 N -3.02 5.23 0.00 5.32 2.01 -1.26 -1.22 115.64 122.70 1c6x s THR 12 Ca 0.25 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.44 1c6x s THR 12 Cb 0.06 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1c6x s THR 12 CO 0.12 0.48 -0.22 0.27 -0.69 0.00 0.00 174.62 174.59 1c6x s ILE 13 N 0.09 1.71 -0.25 1.82 -4.36 -0.27 -1.90 121.20 118.04 1c6x s ILE 13 Ca 0.08 -1.03 -0.05 0.00 -0.26 0.00 0.00 60.65 59.39 1c6x s ILE 13 Cb -0.11 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 1c6x s ILE 13 CO -0.00 0.39 0.02 -0.75 0.24 0.00 0.00 174.94 174.84 1c6x s LYS 14 N -0.74 3.32 -0.04 0.37 2.20 -1.10 -1.19 119.74 122.56 1c6x s LYS 14 Ca 0.08 -0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1c6x s LYS 14 Cb -0.09 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1c6x s LYS 14 CO 0.00 -0.28 0.05 -1.50 -0.36 0.00 0.00 175.35 173.26 1c6x s ILE 15 N 1.51 -0.09 -0.26 5.43 2.07 -0.79 -1.13 121.20 127.94 1c6x s ILE 15 Ca 0.05 0.39 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1c6x s ILE 15 Cb -0.16 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.29 1c6x s ILE 15 CO 0.00 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1c6x n GLY 16 N 5.11 0.30 3.03 1.50 0.00 -1.26 -3.38 105.19 110.48 1c6x n GLY 16 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1c6x n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6x n GLY 17 N -1.22 2.15 3.23 -0.02 0.00 -1.26 -5.00 105.19 103.07 1c6x n GLY 17 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1c6x n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1c6x s GLN 18 N -0.01 1.70 0.10 1.61 1.03 -1.22 -5.12 119.66 117.76 1c6x s GLN 18 Ca 0.00 -0.76 -0.14 0.00 0.04 0.00 0.00 55.36 54.50 1c6x s GLN 18 Cb 0.00 -1.65 -0.06 0.00 0.03 0.00 0.00 33.01 31.33 1c6x s GLN 18 CO 0.00 0.45 0.50 -0.48 -2.54 0.00 0.00 175.29 173.22 1c6x s LEU 19 N -0.52 4.38 0.12 2.60 0.05 -1.26 -1.88 118.68 122.16 1c6x s LEU 19 Ca 0.08 1.02 -0.14 0.00 0.05 0.00 0.00 54.13 55.14 1c6x s LEU 19 Cb -0.08 -3.07 0.03 0.00 -2.05 0.00 0.00 46.19 41.01 1c6x s LEU 19 CO -0.01 0.17 0.35 0.00 -0.55 0.00 0.00 176.35 176.31 1c6x s MET 20 N -1.73 1.02 0.12 1.48 0.23 -0.34 -4.99 119.30 115.08 1c6x s MET 20 Ca 0.34 -0.78 -0.20 0.00 -1.03 0.00 0.00 55.69 54.02 1c6x s MET 20 Cb -0.15 0.44 -0.07 0.00 -1.53 0.00 0.00 34.83 33.51 1c6x s MET 20 CO 0.18 -0.38 0.63 -1.21 -2.03 0.00 0.00 175.02 172.21 1c6x s GLU 21 N -3.82 4.26 0.24 3.16 2.02 -1.26 -1.12 118.70 122.18 1c6x s GLU 21 Ca 0.04 0.81 0.01 0.00 0.02 0.00 0.00 54.97 55.85 1c6x s GLU 21 Cb 0.03 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1c6x s GLU 21 CO -0.12 0.58 0.13 0.00 0.02 0.00 0.00 175.26 175.87 1c6x s ALA 22 N -1.21 1.52 -0.10 5.21 0.00 -0.36 -4.61 121.76 122.22 1c6x s ALA 22 Ca 0.33 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.53 1c6x s ALA 22 Cb -0.19 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 24.15 1c6x s ALA 22 CO 0.21 -0.53 -0.16 -1.17 0.00 0.00 0.00 175.76 174.10 1c6x s LEU 23 N -3.26 2.56 -0.40 0.00 2.96 0.32 -1.42 118.68 119.44 1c6x s LEU 23 Ca 0.38 -0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1c6x s LEU 23 Cb 0.07 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.24 1c6x s LEU 23 CO 0.14 0.22 1.19 -0.63 -1.32 0.00 0.00 176.35 175.96 1c6x s ILE 24 N 0.01 4.21 -0.28 6.68 1.01 0.70 -1.05 121.20 132.50 1c6x s ILE 24 Ca -0.05 1.30 0.03 0.00 0.00 0.00 0.00 60.65 61.93 1c6x s ILE 24 Cb -0.15 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 37.96 1c6x s ILE 24 CO 0.05 -0.77 -0.07 -0.62 0.00 0.00 0.00 174.94 173.53 1c6x s ASP 25 N 2.57 4.52 0.00 3.58 3.68 -0.60 -4.81 116.67 125.60 1c6x s ASP 25 Ca 0.51 -1.57 0.24 0.00 2.13 0.00 0.00 52.55 53.86 1c6x s ASP 25 Cb -0.11 -1.57 1.11 0.00 -1.45 0.00 0.00 42.92 40.90 1c6x s ASP 25 CO 0.27 -0.23 1.79 0.35 0.13 0.00 0.00 175.17 177.47 1c6x n THR 26 N 4.39 0.30 0.05 1.71 -2.24 -1.26 -2.95 114.28 114.27 1c6x n THR 26 Ca -0.10 0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1c6x n THR 26 Cb 0.42 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 1c6x n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c6x n GLY 27 N 0.92 -1.27 3.64 3.38 0.00 -1.26 -4.83 105.19 105.77 1c6x n GLY 27 Ca 0.08 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1c6x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6x s ALA 28 N -3.11 3.59 0.33 4.61 0.00 -1.15 -4.91 121.76 121.12 1c6x s ALA 28 Ca -0.03 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.02 1c6x s ALA 28 Cb 0.09 -3.54 0.58 0.00 0.00 0.00 0.00 23.12 20.25 1c6x s ALA 28 CO 0.81 -1.22 1.76 -0.44 0.00 0.00 0.00 175.76 176.67 1c6x h ASP 29 N 7.80 0.09 -1.66 0.00 3.45 -1.89 0.75 116.42 124.96 1c6x h ASP 29 Ca -0.21 -0.04 -0.61 0.00 0.43 0.00 0.00 57.03 56.61 1c6x h ASP 29 Cb 1.07 -0.02 -0.12 0.00 -0.56 0.00 0.00 39.33 39.70 1c6x h ASP 29 CO 0.98 0.49 -0.58 -1.81 -1.57 0.00 0.00 179.24 176.76 1c6x s ASP 30 N -6.90 4.02 -0.28 6.45 1.01 -1.26 -2.65 116.67 117.06 1c6x s ASP 30 Ca -0.03 -1.28 -0.09 0.00 0.71 0.00 0.00 52.55 51.86 1c6x s ASP 30 Cb 0.14 -0.42 -0.03 0.00 1.01 0.00 0.00 42.92 43.62 1c6x s ASP 30 CO 0.75 -0.46 0.13 -0.89 0.21 0.00 0.00 175.17 174.90 1c6x s THR 31 N -2.67 4.66 -0.09 -1.27 2.01 -1.26 -3.29 115.64 113.73 1c6x s THR 31 Ca 0.36 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.24 1c6x s THR 31 Cb 0.08 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1c6x s THR 31 CO 0.19 0.23 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.45 1c6x s VAL 32 N 1.65 2.38 0.25 3.82 1.01 -0.78 -0.86 120.40 127.87 1c6x s VAL 32 Ca 0.06 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.22 1c6x s VAL 32 Cb -0.16 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1c6x s VAL 32 CO 0.06 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 174.77 1c6x s LEU 33 N 0.04 2.55 0.35 3.92 1.02 0.65 -1.09 118.68 126.13 1c6x s LEU 33 Ca -0.08 -0.99 -0.28 0.00 0.02 0.00 0.00 54.13 52.80 1c6x s LEU 33 Cb -0.15 -1.02 -0.10 0.00 0.02 0.00 0.00 46.19 44.94 1c6x s LEU 33 CO 0.05 0.01 1.28 -1.61 0.02 0.00 0.00 176.35 176.10 1c6x s GLU 34 N -3.37 4.26 -0.20 1.70 2.02 -1.26 -0.99 118.70 120.86 1c6x s GLU 34 Ca 0.26 2.14 -0.40 0.00 0.02 0.00 0.00 54.97 56.99 1c6x s GLU 34 Cb -0.05 -2.97 -0.19 0.00 0.10 0.00 0.00 34.13 31.03 1c6x s GLU 34 CO 0.12 -0.24 1.22 0.39 0.02 0.00 0.00 175.26 176.77 1c6x n GLU 35 N 0.60 0.00 -3.61 1.61 1.02 -0.96 -4.69 120.64 114.61 1c6x n GLU 35 Ca 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1c6x n GLU 35 Cb 0.43 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 1c6x n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c6x s MET 36 N 1.23 0.29 -0.17 3.49 0.23 -1.26 -5.02 119.30 118.10 1c6x s MET 36 Ca 0.91 -0.15 -0.03 0.00 -1.03 0.00 0.00 55.69 55.39 1c6x s MET 36 Cb -1.28 0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 32.11 1c6x s MET 36 CO 0.63 -0.13 -0.06 0.16 -2.03 0.00 0.00 175.02 173.59 1c6x s ASP 37 N -2.69 4.49 0.17 -1.18 3.84 -1.26 -4.97 116.67 115.07 1c6x s ASP 37 Ca 0.13 -0.24 0.01 0.00 -0.00 0.00 0.00 52.55 52.44 1c6x s ASP 37 Cb 0.03 -1.73 -0.04 0.00 -1.38 0.00 0.00 42.92 39.80 1c6x s ASP 37 CO -0.04 0.12 0.34 -0.76 -0.00 0.00 0.00 175.17 174.82 1c6x s LEU 38 N 0.66 4.28 -0.88 2.11 1.43 -1.26 -5.01 118.68 120.01 1c6x s LEU 38 Ca -0.03 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 1c6x s LEU 38 Cb -0.15 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 42.97 1c6x s LEU 38 CO 0.02 0.01 2.02 -2.16 0.23 0.00 0.00 176.35 176.48 1c6x s PRO 39 N -3.25 2.40 0.00 1.29 0.04 -1.26 -4.71 135.00 129.51 1c6x s PRO 39 Ca 0.37 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1c6x s PRO 39 Cb -0.11 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1c6x s PRO 39 CO 0.29 -3.55 0.00 0.41 0.04 0.00 0.00 177.00 174.19 1c6x n GLY 40 N 6.84 -1.16 3.18 0.56 0.00 -1.26 -5.07 105.19 108.27 1c6x n GLY 40 Ca 0.41 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1c6x n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c6x s ARG 41 N -0.70 1.94 0.29 1.61 0.52 -1.26 -5.14 118.95 116.22 1c6x s ARG 41 Ca 0.00 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1c6x s ARG 41 Cb 0.00 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.73 1c6x s ARG 41 CO 0.00 0.30 0.19 1.67 0.02 0.00 0.00 175.30 177.49 1c6x s TRP 42 N -0.08 2.92 0.14 -0.53 1.48 -1.26 -4.45 118.94 117.16 1c6x s TRP 42 Ca -0.02 -0.23 0.06 0.00 -1.06 0.00 0.00 56.10 54.85 1c6x s TRP 42 Cb -0.11 -1.54 -0.04 0.00 -1.16 0.00 0.00 33.47 30.62 1c6x s TRP 42 CO 0.02 0.40 -0.15 -1.59 -4.06 0.00 0.00 176.95 171.57 1c6x s LYS 43 N -3.87 1.11 0.59 3.25 -2.85 -0.48 -4.91 119.74 112.58 1c6x s LYS 43 Ca 0.36 -1.34 -0.17 0.00 -1.00 0.00 0.00 55.97 53.83 1c6x s LYS 43 Cb -0.06 -0.99 -0.04 0.00 -2.06 0.00 0.00 37.83 34.68 1c6x s LYS 43 CO 0.24 0.18 1.08 -1.25 0.10 0.00 0.00 175.35 175.71 1c6x s PRO 44 N -2.92 3.25 -0.21 1.78 0.04 -1.26 -0.04 135.00 135.64 1c6x s PRO 44 Ca 0.13 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 1c6x s PRO 44 Cb -0.04 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.56 1c6x s PRO 44 CO 0.04 -0.89 0.70 0.21 0.04 0.00 0.00 177.00 177.11 1c6x s LYS 45 N -3.81 0.89 -0.25 4.56 2.20 -0.73 -4.75 119.74 117.85 1c6x s LYS 45 Ca 0.67 0.79 0.02 0.00 -0.36 0.00 0.00 55.97 57.09 1c6x s LYS 45 Cb -0.19 0.43 0.06 0.00 -1.51 0.00 0.00 37.83 36.62 1c6x s LYS 45 CO 0.34 -0.16 -0.09 0.42 -0.36 0.00 0.00 175.35 175.50 1c6x s ILE 46 N -0.04 1.94 0.24 5.43 1.09 -1.26 -0.04 121.20 128.56 1c6x s ILE 46 Ca -0.03 -1.49 0.07 0.00 -1.10 0.00 0.00 60.65 58.10 1c6x s ILE 46 Cb -0.04 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.22 1c6x s ILE 46 CO 0.03 -0.06 0.19 0.27 -0.10 0.00 0.00 174.94 175.28 1c6x s ILE 47 N 1.21 4.45 -0.08 2.92 -4.36 -0.50 -4.88 121.20 119.96 1c6x s ILE 47 Ca -0.08 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 58.98 1c6x s ILE 47 Cb -0.20 -3.39 -0.01 0.00 1.25 0.00 0.00 42.46 40.11 1c6x s ILE 47 CO -0.05 -0.33 -0.20 -0.83 0.24 0.00 0.00 174.94 173.77 1c6x s GLY 48 N -3.77 1.41 0.00 6.27 0.00 -1.26 0.00 107.32 109.97 1c6x s GLY 48 Ca 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1c6x s GLY 48 CO 0.25 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1c6x n GLY 49 N 3.01 3.20 0.19 0.20 0.00 0.11 -4.97 105.19 106.93 1c6x n GLY 49 Ca -0.18 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 1c6x n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c6x h ILE 50 N 0.17 1.35 0.00 -0.61 2.10 -2.02 -3.16 117.51 115.33 1c6x h ILE 50 Ca 0.00 -2.07 -0.08 0.00 1.08 0.00 0.00 64.86 63.79 1c6x h ILE 50 Cb 0.00 2.06 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 1c6x h ILE 50 CO 0.00 0.63 -0.36 1.23 -1.08 0.00 0.00 178.15 178.57 1c6x h GLY 51 N 1.08 0.00 0.00 8.18 0.00 -2.03 -3.49 103.07 106.82 1c6x h GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1c6x h GLY 51 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1c6x n GLY 52 N 0.11 -0.17 3.85 4.60 0.00 -1.20 -5.13 105.19 107.25 1c6x n GLY 52 Ca -0.01 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1c6x n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c6x s PHE 53 N -2.85 3.39 0.04 1.61 0.40 -1.26 0.06 117.98 119.37 1c6x s PHE 53 Ca 0.00 1.20 -0.04 0.00 -0.60 0.00 0.00 56.93 57.49 1c6x s PHE 53 Cb 0.00 -2.53 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 1c6x s PHE 53 CO 0.00 0.04 0.07 0.54 0.70 0.00 0.00 175.22 176.57 1c6x s VAL 54 N -2.07 0.14 -0.22 -0.44 0.11 0.10 -4.93 120.40 113.09 1c6x s VAL 54 Ca 0.54 -1.18 -0.10 0.00 -2.93 0.00 0.00 61.98 58.31 1c6x s VAL 54 Cb -0.10 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1c6x s VAL 54 CO 0.20 -0.65 0.13 -0.54 -3.33 0.00 0.00 175.10 170.90 1c6x s LYS 55 N -2.75 4.04 0.27 1.54 1.02 -1.26 -1.41 119.74 121.18 1c6x s LYS 55 Ca -0.04 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1c6x s LYS 55 Cb -0.00 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1c6x s LYS 55 CO -0.05 0.13 0.01 0.14 -0.92 0.00 0.00 175.35 174.66 1c6x s VAL 56 N 0.83 1.13 -0.35 3.17 -7.23 0.94 -4.60 120.40 114.29 1c6x s VAL 56 Ca 0.07 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1c6x s VAL 56 Cb -0.13 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1c6x s VAL 56 CO 0.02 -0.21 0.21 -0.13 -0.31 0.00 0.00 175.10 174.68 1c6x s ARG 57 N -3.86 3.10 -0.28 4.82 0.52 0.12 -1.77 118.95 121.60 1c6x s ARG 57 Ca 0.32 -0.90 -0.24 0.00 -0.52 0.00 0.00 55.73 54.38 1c6x s ARG 57 Cb 0.06 -3.72 -0.00 0.00 0.52 0.00 0.00 34.95 31.81 1c6x s ARG 57 CO 0.11 -0.58 0.83 -1.14 0.02 0.00 0.00 175.30 174.55 1c6x s GLN 58 N 1.61 4.08 -0.23 3.54 0.74 0.94 -1.67 119.66 128.67 1c6x s GLN 58 Ca 0.04 0.80 -0.05 0.00 0.05 0.00 0.00 55.36 56.19 1c6x s GLN 58 Cb -0.18 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 1c6x s GLN 58 CO 0.07 -0.62 0.01 0.71 -0.55 0.00 0.00 175.29 174.92 1c6x s TYR 59 N 2.96 3.02 0.45 1.67 1.51 -0.22 -1.38 117.35 125.37 1c6x s TYR 59 Ca 0.35 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1c6x s TYR 59 Cb -0.14 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 1c6x s TYR 59 CO 0.10 -0.42 0.72 -0.51 -1.11 0.00 0.00 175.55 174.33 1c6x s ASP 60 N 1.47 6.15 -1.52 2.29 -0.00 -1.26 -1.31 116.67 122.48 1c6x s ASP 60 Ca 0.05 0.70 -0.02 0.00 -0.00 0.00 0.00 52.55 53.28 1c6x s ASP 60 Cb -0.15 -2.05 0.00 0.00 -0.00 0.00 0.00 42.92 40.73 1c6x s ASP 60 CO 0.00 -0.56 0.06 0.00 -0.00 0.00 0.00 175.17 174.67 1c6x n GLN 61 N -2.14 -0.98 -3.71 8.23 6.02 -1.23 -4.91 117.38 118.66 1c6x n GLN 61 Ca -0.00 0.10 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 1c6x n GLN 61 Cb 0.56 -3.54 -0.07 0.00 1.02 0.00 0.00 30.24 28.21 1c6x n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1c6x s ILE 62 N -4.32 5.37 -0.15 5.09 -1.09 -0.31 -4.80 121.20 121.00 1c6x s ILE 62 Ca 0.03 0.36 -0.25 0.00 -2.23 0.00 0.00 60.65 58.57 1c6x s ILE 62 Cb -0.02 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1c6x s ILE 62 CO 0.99 0.51 0.80 -2.16 -1.23 0.00 0.00 174.94 173.86 1c6x s PRO 63 N -0.31 4.32 0.12 2.79 0.04 -1.26 -1.93 135.00 138.76 1c6x s PRO 63 Ca 0.15 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1c6x s PRO 63 Cb -0.13 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1c6x s PRO 63 CO 0.04 -0.26 -0.19 0.42 0.04 0.00 0.00 177.00 177.05 1c6x s ILE 64 N 1.91 1.64 -0.66 0.56 1.09 -0.94 -4.44 121.20 120.37 1c6x s ILE 64 Ca 0.38 -1.63 0.05 0.00 -1.10 0.00 0.00 60.65 58.35 1c6x s ILE 64 Cb -0.17 -1.57 0.16 0.00 -1.06 0.00 0.00 42.46 39.82 1c6x s ILE 64 CO 0.13 -0.18 0.43 -0.70 -0.10 0.00 0.00 174.94 174.53 1c6x s GLU 65 N -2.19 2.34 -0.68 2.79 2.12 -0.29 -1.01 118.70 121.79 1c6x s GLU 65 Ca 0.08 -3.17 -0.26 0.00 0.36 0.00 0.00 54.97 51.98 1c6x s GLU 65 Cb -0.08 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1c6x s GLU 65 CO 0.04 -1.24 1.82 0.42 -0.54 0.00 0.00 175.26 175.77 1c6x s ILE 66 N -1.16 3.41 -0.55 -3.70 1.01 -0.95 -2.70 121.20 116.55 1c6x s ILE 66 Ca 0.23 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1c6x s ILE 66 Cb -0.10 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1c6x s ILE 66 CO -0.12 -1.01 0.49 0.00 0.00 0.00 0.00 174.94 174.30 1c6x n GLY 68 N -0.96 2.57 3.77 0.00 0.00 -1.26 -5.02 105.19 104.30 1c6x n GLY 68 Ca -0.19 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1c6x n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1c6x s HIS 69 N 0.00 2.80 -0.17 1.61 4.02 -1.14 -5.01 115.29 117.40 1c6x s HIS 69 Ca 0.00 1.37 -0.05 0.00 1.02 0.00 0.00 55.06 57.41 1c6x s HIS 69 Cb 0.00 -3.73 -0.03 0.00 -1.02 0.00 0.00 32.58 27.80 1c6x s HIS 69 CO 0.00 -2.23 -0.01 0.21 1.02 0.00 0.00 174.74 173.73 1c6x s LYS 70 N -2.17 3.72 0.30 1.40 2.47 -1.26 -2.24 119.74 121.96 1c6x s LYS 70 Ca 0.55 -0.49 0.03 0.00 -1.56 0.00 0.00 55.97 54.51 1c6x s LYS 70 Cb -0.40 -2.99 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 1c6x s LYS 70 CO 0.52 0.22 0.16 0.14 0.16 0.00 0.00 175.35 176.55 1c6x s VAL 71 N 0.45 0.30 -0.01 4.02 -7.23 -0.18 -5.02 120.40 112.73 1c6x s VAL 71 Ca -0.02 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1c6x s VAL 71 Cb -0.14 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1c6x s VAL 71 CO 0.02 0.00 0.02 -0.51 -0.31 0.00 0.00 175.10 174.32 1c6x s ILE 72 N -3.62 -0.02 -0.05 -0.62 1.10 -1.26 -2.20 121.20 114.52 1c6x s ILE 72 Ca 0.36 0.08 -0.22 0.00 -0.51 0.00 0.00 60.65 60.36 1c6x s ILE 72 Cb 0.05 -0.04 0.07 0.00 0.15 0.00 0.00 42.46 42.69 1c6x s ILE 72 CO 0.18 0.03 0.98 0.61 -2.11 0.00 0.00 174.94 174.63 1c6x n GLY 73 N 3.48 0.21 3.69 1.50 0.00 -0.81 -4.95 105.19 108.31 1c6x n GLY 73 Ca -0.18 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1c6x n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c6x s THR 74 N -2.02 4.92 -0.06 2.61 2.01 -1.26 -1.16 115.64 120.68 1c6x s THR 74 Ca 0.23 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1c6x s THR 74 Cb -0.00 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1c6x s THR 74 CO -0.02 0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.17 1c6x s VAL 75 N 1.57 2.83 0.12 3.82 1.01 -0.43 -4.45 120.40 124.86 1c6x s VAL 75 Ca 0.41 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1c6x s VAL 75 Cb -0.18 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1c6x s VAL 75 CO 0.17 0.58 0.12 -0.76 0.00 0.00 0.00 175.10 175.20 1c6x s LEU 76 N -0.46 3.86 -0.07 3.92 1.43 -0.04 -1.06 118.68 126.27 1c6x s LEU 76 Ca 0.05 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1c6x s LEU 76 Cb -0.12 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1c6x s LEU 76 CO 0.02 0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 175.91 1c6x s VAL 77 N -1.56 1.10 0.06 -1.59 1.01 -0.67 -0.25 120.40 118.50 1c6x s VAL 77 Ca 0.30 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1c6x s VAL 77 Cb -0.11 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.32 1c6x s VAL 77 CO 0.23 0.35 0.93 0.61 0.00 0.00 0.00 175.10 177.22 1c6x n GLY 78 N 3.87 0.50 3.57 4.51 0.00 -0.16 -0.70 105.19 116.79 1c6x n GLY 78 Ca -0.23 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1c6x n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c6x s PRO 79 N -2.02 3.43 -0.02 1.61 0.04 -1.26 -2.27 135.00 134.50 1c6x s PRO 79 Ca 0.21 -1.50 0.05 0.00 0.04 0.00 0.00 61.00 59.81 1c6x s PRO 79 Cb -0.01 -5.40 -0.03 0.00 0.04 0.00 0.00 34.50 29.10 1c6x s PRO 79 CO 0.02 -2.78 -0.17 -0.08 0.04 0.00 0.00 177.00 174.02 1c6x s THR 80 N 6.56 2.80 0.39 1.26 -1.32 -1.26 -5.01 115.64 119.07 1c6x s THR 80 Ca 0.58 -0.92 0.30 0.00 -1.21 0.00 0.00 61.69 60.43 1c6x s THR 80 Cb 0.01 -2.10 0.32 0.00 -1.51 0.00 0.00 72.50 69.22 1c6x s THR 80 CO 0.06 0.52 2.08 1.55 -2.21 0.00 0.00 174.62 176.62 1c6x h PRO 81 N 5.14 0.00 -2.97 7.08 0.13 -1.98 -3.43 132.00 135.96 1c6x h PRO 81 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1c6x h PRO 81 Cb 1.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1c6x h PRO 81 CO 0.49 0.10 -0.10 -0.08 -0.23 0.00 0.00 178.00 178.17 1c6x s THR 82 N -4.11 0.05 0.02 1.56 -1.32 -1.26 -5.08 115.64 105.50 1c6x s THR 82 Ca -0.02 -0.43 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 1c6x s THR 82 Cb 0.12 -0.92 -0.05 0.00 -1.51 0.00 0.00 72.50 70.15 1c6x s THR 82 CO 0.56 -0.24 1.28 0.20 -2.21 0.00 0.00 174.62 174.21 1c6x s ASN 83 N -1.88 6.98 -0.02 8.08 0.01 -1.26 -4.71 114.94 122.14 1c6x s ASN 83 Ca -0.06 2.02 0.05 0.00 -0.71 0.00 0.00 52.86 54.16 1c6x s ASN 83 Cb -0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1c6x s ASN 83 CO -0.01 -0.59 -0.18 0.27 -1.51 0.00 0.00 177.10 175.09 1c6x s ILE 84 N 1.74 1.40 -0.37 0.60 -4.36 -0.25 -0.52 121.20 119.43 1c6x s ILE 84 Ca 0.60 -0.75 -0.11 0.00 -0.26 0.00 0.00 60.65 60.13 1c6x s ILE 84 Cb -0.30 -1.17 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1c6x s ILE 84 CO 0.27 0.40 0.21 -0.63 0.24 0.00 0.00 174.94 175.42 1c6x s ILE 85 N -0.33 4.58 0.30 8.37 1.01 -0.21 -1.86 121.20 133.06 1c6x s ILE 85 Ca 0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1c6x s ILE 85 Cb -0.08 -3.56 0.06 0.00 0.01 0.00 0.00 42.46 38.90 1c6x s ILE 85 CO -0.00 -0.23 0.41 0.61 0.00 0.00 0.00 174.94 175.73 1c6x n GLY 86 N 5.00 0.20 0.26 6.18 0.00 -1.21 -1.57 105.19 114.05 1c6x n GLY 86 Ca -0.12 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.09 1c6x n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c6x h ARG 87 N 0.00 0.00 -0.54 1.61 3.08 -0.89 -2.82 114.38 114.82 1c6x h ARG 87 Ca -0.13 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.99 1c6x h ARG 87 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1c6x h ARG 87 CO 0.13 0.07 0.36 -2.95 -1.07 0.00 0.00 179.97 176.51 1c6x h ASN 88 N 0.00 0.36 0.00 7.04 -1.07 -1.77 -2.53 115.58 117.62 1c6x h ASN 88 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1c6x h ASN 88 Cb 0.13 -0.07 -0.00 0.00 -2.07 0.00 0.00 38.32 36.30 1c6x h ASN 88 CO 0.01 0.23 -1.92 0.18 0.07 0.00 0.00 177.43 176.00 1c6x n LEU 89 N -4.47 0.00 0.09 6.14 4.77 -1.16 -4.46 117.00 117.92 1c6x n LEU 89 Ca 0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1c6x n LEU 89 Cb 0.31 0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.63 1c6x n LEU 89 CO 0.34 0.03 0.59 -0.07 -1.33 0.00 0.00 177.39 176.95 1c6x h LEU 90 N 0.00 0.24 -0.83 2.23 3.38 -1.21 -2.87 115.31 116.24 1c6x h LEU 90 Ca -0.03 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1c6x h LEU 90 Cb 0.97 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1c6x h LEU 90 CO 0.00 0.68 0.04 0.71 0.09 0.00 0.00 178.44 179.96 1c6x h THR 91 N 0.18 1.25 0.00 0.22 1.35 -1.68 -2.14 112.91 112.09 1c6x h THR 91 Ca 0.01 -1.02 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 1c6x h THR 91 Cb 0.90 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1c6x h THR 91 CO 0.07 0.37 -0.10 1.56 -0.25 0.00 0.00 175.52 177.17 1c6x h GLN 92 N 0.85 0.00 -0.02 4.72 1.08 -1.73 -1.67 115.11 118.34 1c6x h GLN 92 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1c6x h GLN 92 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1c6x h GLN 92 CO 0.02 0.10 -0.01 0.44 -0.95 0.00 0.00 178.83 178.43 1c6x n ILE 93 N -4.36 0.00 -2.50 2.54 -5.35 -1.14 -4.95 119.36 103.59 1c6x n ILE 93 Ca -0.03 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.13 1c6x n ILE 93 Cb 0.18 0.73 0.01 0.00 -1.74 0.00 0.00 39.64 38.82 1c6x n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c6x n GLY 94 N 1.22 0.69 3.72 3.28 0.00 -0.63 -5.04 105.19 108.44 1c6x n GLY 94 Ca 0.18 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1c6x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6x s THR 96 N 0.48 0.38 -0.06 0.00 -4.23 -1.26 -4.76 115.64 106.19 1c6x s THR 96 Ca 0.45 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1c6x s THR 96 Cb -0.21 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1c6x s THR 96 CO 0.26 -0.49 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.00 1c6x s LEU 97 N -3.11 3.06 -0.06 4.79 2.01 -1.26 -5.10 118.68 119.02 1c6x s LEU 97 Ca 0.23 -0.07 -0.03 0.00 0.01 0.00 0.00 54.13 54.28 1c6x s LEU 97 Cb 0.07 -1.66 0.03 0.00 0.01 0.00 0.00 46.19 44.64 1c6x s LEU 97 CO 0.02 0.35 0.13 0.21 1.01 0.00 0.00 176.35 178.08 1c6x s ASN 98 N -0.77 -0.11 0.00 2.29 2.47 -1.26 -5.30 114.94 112.26 1c6x s ASN 98 Ca 0.12 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1c6x s ASN 98 Cb -0.11 0.20 0.00 0.00 -1.45 0.00 0.00 41.25 39.89 1c6x s ASN 98 CO 0.01 -0.11 0.00 2.22 -3.72 0.00 0.00 177.10 175.50