#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1e s GLN 2 N 0.00 3.37 -0.29 0.54 0.74 -1.26 -5.08 119.66 117.67 2a1e s GLN 2 Ca 0.00 -0.63 -0.07 0.00 0.05 0.00 0.00 55.36 54.71 2a1e s GLN 2 Cb 0.00 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.13 2a1e s GLN 2 CO 0.00 -0.18 0.08 0.42 -0.55 0.00 0.00 175.29 175.05 2a1e s ILE 3 N 1.44 3.99 0.73 -2.34 1.01 -1.26 -5.09 121.20 119.68 2a1e s ILE 3 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 2a1e s ILE 3 Cb -0.14 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.32 2a1e s ILE 3 CO -0.03 0.10 1.12 0.42 0.00 0.00 0.00 174.94 176.54 2a1e s THR 4 N 1.51 3.14 -0.15 2.92 -4.23 -1.26 -5.00 115.64 112.57 2a1e s THR 4 Ca 0.03 0.37 0.18 0.00 -1.18 0.00 0.00 61.69 61.09 2a1e s THR 4 Cb -0.17 -3.36 0.37 0.00 1.34 0.00 0.00 72.50 70.68 2a1e s THR 4 CO 0.02 -0.48 1.24 0.18 -0.54 0.00 0.00 174.62 175.04 2a1e n LEU 5 N -3.09 2.84 0.17 4.79 4.77 -1.26 -4.50 117.00 120.72 2a1e n LEU 5 Ca 0.07 -3.11 0.04 0.00 -0.03 0.00 0.00 56.01 52.99 2a1e n LEU 5 Cb 0.58 -0.47 0.47 0.00 -2.33 0.00 0.00 43.42 41.67 2a1e n LEU 5 CO 0.57 0.73 0.95 -0.50 -1.33 0.00 0.00 177.39 177.81 2a1e h TRP 6 N 0.57 0.14 -2.18 -1.77 4.06 -2.05 -3.43 115.95 111.29 2a1e h TRP 6 Ca 0.00 -0.01 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 2a1e h TRP 6 Cb 1.14 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 29.12 2a1e h TRP 6 CO 0.19 0.24 -0.67 -1.59 -3.56 0.00 0.00 178.44 173.04 2a1e s LYS 7 N -4.82 1.73 0.29 0.49 -2.85 -1.26 -5.11 119.74 108.22 2a1e s LYS 7 Ca -0.05 -1.89 -0.30 0.00 -1.00 0.00 0.00 55.97 52.73 2a1e s LYS 7 Cb 0.16 -1.50 -0.11 0.00 -2.06 0.00 0.00 37.83 34.31 2a1e s LYS 7 CO 0.71 0.09 1.57 1.03 0.10 0.00 0.00 175.35 178.85 2a1e s ARG 8 N -3.66 4.14 -1.38 1.78 0.52 -1.26 -4.86 118.95 114.22 2a1e s ARG 8 Ca 0.32 2.55 -0.16 0.00 -0.52 0.00 0.00 55.73 57.91 2a1e s ARG 8 Cb 0.03 -3.03 0.05 0.00 0.52 0.00 0.00 34.95 32.52 2a1e s ARG 8 CO 0.15 -0.60 2.01 -0.35 0.02 0.00 0.00 175.30 176.52 2a1e n PRO 9 N 2.10 3.00 -3.35 3.54 -0.04 -1.26 -4.93 135.00 134.05 2a1e n PRO 9 Ca 0.08 -2.90 -0.38 0.00 -0.04 0.00 0.00 63.50 60.25 2a1e n PRO 9 Cb 0.38 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2a1e n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a1e s LEU 10 N 3.15 4.37 0.18 1.53 1.43 -1.26 -0.93 118.68 127.14 2a1e s LEU 10 Ca 0.50 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 2a1e s LEU 10 Cb 0.09 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2a1e s LEU 10 CO -0.01 0.12 0.01 0.68 0.23 0.00 0.00 176.35 177.39 2a1e s VAL 11 N -0.07 0.63 0.03 -1.59 -7.23 0.34 -4.93 120.40 107.56 2a1e s VAL 11 Ca 0.26 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.21 2a1e s VAL 11 Cb -0.16 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2a1e s VAL 11 CO 0.12 -0.44 0.74 -0.89 -0.31 0.00 0.00 175.10 174.32 2a1e s THR 12 N -3.69 4.79 0.28 5.32 2.01 -1.26 -0.37 115.64 122.72 2a1e s THR 12 Ca 0.25 1.56 0.11 0.00 0.31 0.00 0.00 61.69 63.92 2a1e s THR 12 Cb 0.06 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2a1e s THR 12 CO 0.04 0.36 -0.17 0.27 -0.69 0.00 0.00 174.62 174.43 2a1e s ILE 13 N 0.02 2.31 -0.11 1.82 -4.36 0.97 -1.16 121.20 120.68 2a1e s ILE 13 Ca 0.37 -2.34 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 2a1e s ILE 13 Cb -0.20 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.19 2a1e s ILE 13 CO 0.22 -0.39 -0.15 -0.75 0.24 0.00 0.00 174.94 174.11 2a1e s LYS 14 N -3.55 2.20 -0.06 0.37 2.20 0.32 -1.30 119.74 119.92 2a1e s LYS 14 Ca 0.29 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.32 2a1e s LYS 14 Cb -0.03 -1.90 0.03 0.00 -1.51 0.00 0.00 37.83 34.42 2a1e s LYS 14 CO 0.14 -0.09 0.15 -1.50 -0.36 0.00 0.00 175.35 173.69 2a1e s ILE 15 N 1.08 -0.03 -1.73 5.43 2.07 -0.12 -0.80 121.20 127.10 2a1e s ILE 15 Ca -0.05 0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2a1e s ILE 15 Cb -0.15 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.21 2a1e s ILE 15 CO -0.03 0.04 0.10 0.61 -1.91 0.00 0.00 174.94 173.75 2a1e n GLY 16 N 3.74 -0.50 2.80 1.50 0.00 -1.26 -0.44 105.19 111.03 2a1e n GLY 16 Ca -0.21 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2a1e n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1e n GLY 17 N -1.09 0.66 3.39 -0.02 0.00 -1.26 -5.01 105.19 101.86 2a1e n GLY 17 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2a1e n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a1e s GLN 18 N -0.26 2.79 -0.02 1.61 -0.21 0.42 -5.11 119.66 118.88 2a1e s GLN 18 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 55.36 54.39 2a1e s GLN 18 Cb 0.00 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 2a1e s GLN 18 CO 0.00 0.44 0.74 -0.51 -2.12 0.00 0.00 175.29 173.84 2a1e s LEU 19 N -0.25 4.38 0.06 2.90 1.43 -1.26 -0.94 118.68 124.99 2a1e s LEU 19 Ca 0.01 1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2a1e s LEU 19 Cb -0.13 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 2a1e s LEU 19 CO 0.03 -0.06 0.01 -0.54 0.23 0.00 0.00 176.35 176.01 2a1e s LYS 20 N 0.42 0.65 -0.09 1.70 1.02 -0.42 -4.99 119.74 118.04 2a1e s LYS 20 Ca 0.39 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 2a1e s LYS 20 Cb -0.19 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 2a1e s LYS 20 CO 0.21 -0.14 0.28 -2.00 -0.92 0.00 0.00 175.35 172.78 2a1e s GLU 21 N -3.91 3.85 0.05 1.68 2.12 -1.26 -0.02 118.70 121.20 2a1e s GLU 21 Ca 0.07 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 2a1e s GLU 21 Cb 0.08 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 2a1e s GLU 21 CO -0.10 0.59 0.12 0.00 -0.54 0.00 0.00 175.26 175.33 2a1e s ALA 22 N -0.60 -0.11 -0.23 6.30 0.00 0.50 -4.42 121.76 123.20 2a1e s ALA 22 Ca 0.18 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 2a1e s ALA 22 Cb -0.14 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2a1e s ALA 22 CO 0.07 -0.36 0.40 -1.17 0.00 0.00 0.00 175.76 174.70 2a1e s LEU 23 N -2.31 4.11 -0.42 0.00 2.96 0.52 -0.51 118.68 123.04 2a1e s LEU 23 Ca -0.02 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 2a1e s LEU 23 Cb 0.01 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.22 2a1e s LEU 23 CO -0.06 -0.12 1.21 -0.76 -1.32 0.00 0.00 176.35 175.30 2a1e s LEU 24 N 1.61 3.69 -0.34 -0.68 1.43 -0.10 -0.77 118.68 123.51 2a1e s LEU 24 Ca 0.18 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2a1e s LEU 24 Cb -0.15 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2a1e s LEU 24 CO 0.08 -1.23 0.08 -0.62 0.23 0.00 0.00 176.35 174.90 2a1e s ASP 25 N 2.74 4.45 0.56 2.29 -1.08 0.05 -4.76 116.67 120.91 2a1e s ASP 25 Ca 0.52 -2.02 0.36 0.00 -0.52 0.00 0.00 52.55 50.88 2a1e s ASP 25 Cb -0.10 -1.33 1.59 0.00 -1.46 0.00 0.00 42.92 41.62 2a1e s ASP 25 CO 0.29 -0.38 2.06 0.71 0.52 0.00 0.00 175.17 178.36 2a1e h THR 26 N 6.48 0.00 -0.00 1.71 1.35 -1.93 -2.18 112.91 118.33 2a1e h THR 26 Ca -0.08 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2a1e h THR 26 Cb 1.01 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2a1e h THR 26 CO 0.51 0.00 -0.14 0.61 -0.25 0.00 0.00 175.52 176.25 2a1e n GLY 27 N -0.24 -1.27 3.71 5.82 0.00 -1.26 -4.80 105.19 107.15 2a1e n GLY 27 Ca -0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2a1e n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1e s ALA 28 N -2.81 3.55 0.24 4.61 0.00 -0.82 -4.96 121.76 121.57 2a1e s ALA 28 Ca 0.19 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2a1e s ALA 28 Cb 0.19 -2.53 0.28 0.00 0.00 0.00 0.00 23.12 21.07 2a1e s ALA 28 CO 0.55 -0.05 1.62 -0.44 0.00 0.00 0.00 175.76 177.43 2a1e h ASP 29 N 6.90 0.46 -2.31 0.00 3.32 -1.88 0.11 116.42 123.01 2a1e h ASP 29 Ca -0.40 -0.21 -0.58 0.00 0.02 0.00 0.00 57.03 55.87 2a1e h ASP 29 Cb 1.17 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 2a1e h ASP 29 CO 0.74 0.84 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.60 2a1e s ASP 30 N -6.87 3.39 -0.19 6.45 1.01 -1.26 -3.27 116.67 115.93 2a1e s ASP 30 Ca -0.06 -1.16 -0.08 0.00 0.71 0.00 0.00 52.55 51.95 2a1e s ASP 30 Cb 0.13 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2a1e s ASP 30 CO 0.81 -0.21 0.09 -0.89 0.21 0.00 0.00 175.17 175.18 2a1e s THR 31 N -2.72 5.00 -0.06 -1.27 2.01 -1.26 -3.28 115.64 114.05 2a1e s THR 31 Ca 0.31 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 2a1e s THR 31 Cb 0.02 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.29 2a1e s THR 31 CO 0.15 0.45 -0.02 0.54 -0.69 0.00 0.00 174.62 175.04 2a1e s VAL 32 N 0.41 0.44 0.07 3.82 0.11 -0.17 -0.76 120.40 124.33 2a1e s VAL 32 Ca 0.05 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.20 2a1e s VAL 32 Cb -0.12 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2a1e s VAL 32 CO -0.00 0.24 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.14 2a1e s ILE 33 N 1.45 2.38 1.00 7.04 -1.09 0.46 -0.26 121.20 132.18 2a1e s ILE 33 Ca -0.03 -1.45 -0.11 0.00 -2.23 0.00 0.00 60.65 56.82 2a1e s ILE 33 Cb -0.13 -2.00 0.17 0.00 -1.58 0.00 0.00 42.46 38.92 2a1e s ILE 33 CO -0.03 0.26 0.96 -1.84 -1.23 0.00 0.00 174.94 173.07 2a1e n GLU 34 N 1.40 -1.00 -1.65 2.79 0.28 -1.25 -1.41 120.64 119.81 2a1e n GLU 34 Ca -0.17 -0.24 -0.48 0.00 -0.16 0.00 0.00 57.16 56.12 2a1e n GLU 34 Cb 0.52 -2.23 -0.05 0.00 1.43 0.00 0.00 31.44 31.12 2a1e n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2a1e n GLU 35 N -4.00 1.84 -3.63 3.44 -0.58 -1.20 -4.54 120.64 111.97 2a1e n GLU 35 Ca 0.09 0.66 -0.07 0.00 -0.42 0.00 0.00 57.16 57.42 2a1e n GLU 35 Cb 0.53 -2.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.00 2a1e n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a1e s MET 36 N 0.67 1.19 0.08 3.49 0.23 -1.26 -5.03 119.30 118.68 2a1e s MET 36 Ca 0.79 -0.57 -0.23 0.00 -1.03 0.00 0.00 55.69 54.65 2a1e s MET 36 Cb -0.76 0.47 -0.07 0.00 -1.53 0.00 0.00 34.83 32.95 2a1e s MET 36 CO 0.41 -0.54 0.71 0.45 -2.03 0.00 0.00 175.02 174.03 2a1e s SER 37 N -2.76 7.21 0.07 -1.18 0.15 -1.26 -5.03 113.70 110.91 2a1e s SER 37 Ca 0.08 1.44 0.02 0.00 0.70 0.00 0.00 55.95 58.19 2a1e s SER 37 Cb -0.02 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2a1e s SER 37 CO -0.03 0.14 -0.07 -0.76 1.20 0.00 0.00 173.24 173.72 2a1e s LEU 38 N -0.64 2.42 0.53 3.45 1.43 -1.26 -4.88 118.68 119.73 2a1e s LEU 38 Ca 0.35 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2a1e s LEU 38 Cb -0.21 -0.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.86 2a1e s LEU 38 CO 0.23 -0.38 0.99 -2.16 0.23 0.00 0.00 176.35 175.25 2a1e s PRO 39 N -3.03 3.87 0.15 1.29 0.04 -1.26 -4.96 135.00 131.10 2a1e s PRO 39 Ca 0.04 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2a1e s PRO 39 Cb 0.00 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2a1e s PRO 39 CO -0.03 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2a1e n GLY 40 N -1.82 -2.84 3.85 0.56 0.00 -1.26 -4.87 105.19 98.81 2a1e n GLY 40 Ca 0.06 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 2a1e n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a1e s ARG 41 N -0.55 3.85 0.22 1.61 0.52 -1.26 -5.07 118.95 118.27 2a1e s ARG 41 Ca 0.00 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 2a1e s ARG 41 Cb 0.00 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 33.27 2a1e s ARG 41 CO 0.00 -0.31 0.09 1.67 0.02 0.00 0.00 175.30 176.77 2a1e s TRP 42 N -2.72 1.34 0.01 -0.53 1.48 -1.26 -4.46 118.94 112.79 2a1e s TRP 42 Ca 0.57 -1.23 -0.01 0.00 -1.06 0.00 0.00 56.10 54.37 2a1e s TRP 42 Cb -0.10 -0.74 -0.01 0.00 -1.16 0.00 0.00 33.47 31.45 2a1e s TRP 42 CO 0.37 -0.43 0.00 -1.59 -4.06 0.00 0.00 176.95 171.23 2a1e s LYS 43 N -4.06 0.30 0.57 3.25 -2.85 -0.83 -4.92 119.74 111.19 2a1e s LYS 43 Ca 0.36 -0.50 -0.16 0.00 -1.00 0.00 0.00 55.97 54.67 2a1e s LYS 43 Cb 0.07 0.11 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 2a1e s LYS 43 CO 0.11 -0.05 1.04 -1.25 0.10 0.00 0.00 175.35 175.30 2a1e s PRO 44 N -1.26 3.51 -0.02 1.78 0.04 -1.26 -0.16 135.00 137.63 2a1e s PRO 44 Ca -0.14 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 2a1e s PRO 44 Cb -0.08 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2a1e s PRO 44 CO -0.01 -0.65 0.26 0.21 0.04 0.00 0.00 177.00 176.86 2a1e s LYS 45 N -4.03 0.57 -0.16 4.56 2.20 -0.40 -4.85 119.74 117.64 2a1e s LYS 45 Ca 0.62 -0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 56.05 2a1e s LYS 45 Cb -0.14 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2a1e s LYS 45 CO 0.35 -0.14 -0.04 -1.64 -0.36 0.00 0.00 175.35 173.51 2a1e s MET 46 N -1.11 3.65 0.06 4.03 -1.94 -1.26 -0.54 119.30 122.20 2a1e s MET 46 Ca -0.12 -0.53 0.07 0.00 -1.71 0.00 0.00 55.69 53.40 2a1e s MET 46 Cb -0.05 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 2a1e s MET 46 CO 0.03 0.23 -0.15 0.96 -0.01 0.00 0.00 175.02 176.08 2a1e s ILE 47 N 0.40 3.03 0.33 2.53 -4.36 -0.28 -4.96 121.20 117.90 2a1e s ILE 47 Ca -0.04 -1.18 0.09 0.00 -0.26 0.00 0.00 60.65 59.26 2a1e s ILE 47 Cb -0.14 -2.33 -0.06 0.00 1.25 0.00 0.00 42.46 41.18 2a1e s ILE 47 CO 0.03 0.27 -0.10 -0.83 0.24 0.00 0.00 174.94 174.55 2a1e s GLY 48 N -1.67 2.13 0.00 6.27 0.00 -1.26 -1.12 107.32 111.68 2a1e s GLY 48 Ca 0.17 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.83 2a1e s GLY 48 CO 0.08 -2.01 0.00 0.61 0.00 0.00 0.00 173.10 171.78 2a1e n GLY 49 N -0.76 -0.70 3.72 0.20 0.00 -0.12 -4.98 105.19 102.56 2a1e n GLY 49 Ca -0.05 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2a1e n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a1e n ILE 50 N 2.18 0.22 -0.47 -0.61 2.08 -1.26 -1.43 119.36 120.07 2a1e n ILE 50 Ca 0.00 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2a1e n ILE 50 Cb 0.00 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 36.91 2a1e n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a1e n GLY 51 N 3.57 1.18 0.00 7.39 0.00 -1.26 -4.89 105.19 111.18 2a1e n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2a1e n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1e n GLY 52 N -2.00 0.25 3.46 -0.02 0.00 -0.52 -5.03 105.19 101.33 2a1e n GLY 52 Ca 0.00 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 2a1e n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1e s PHE 53 N 0.00 2.43 0.14 1.61 0.40 -1.26 -0.94 117.98 120.36 2a1e s PHE 53 Ca 0.00 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.09 2a1e s PHE 53 Cb 0.00 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2a1e s PHE 53 CO 0.00 0.42 -0.16 0.96 0.70 0.00 0.00 175.22 177.15 2a1e s ILE 54 N -1.35 1.51 -0.04 0.64 -4.36 -0.27 -4.97 121.20 112.36 2a1e s ILE 54 Ca 0.19 -1.80 -0.18 0.00 -0.26 0.00 0.00 60.65 58.60 2a1e s ILE 54 Cb -0.09 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 2a1e s ILE 54 CO 0.10 -0.38 0.49 -0.75 0.24 0.00 0.00 174.94 174.63 2a1e s LYS 55 N -2.74 4.20 0.18 0.37 2.20 -1.26 -1.13 119.74 121.57 2a1e s LYS 55 Ca 0.12 0.52 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 2a1e s LYS 55 Cb -0.05 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2a1e s LYS 55 CO 0.04 0.40 0.03 0.14 -0.36 0.00 0.00 175.35 175.61 2a1e s VAL 56 N -0.19 0.53 -0.18 4.02 -7.23 0.30 -4.47 120.40 113.18 2a1e s VAL 56 Ca 0.26 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2a1e s VAL 56 Cb -0.17 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2a1e s VAL 56 CO 0.13 -0.36 0.07 -0.13 -0.31 0.00 0.00 175.10 174.50 2a1e s ARG 57 N -3.97 3.95 -0.30 4.82 0.52 0.30 -1.27 118.95 123.00 2a1e s ARG 57 Ca 0.27 -0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 55.01 2a1e s ARG 57 Cb 0.07 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 2a1e s ARG 57 CO 0.06 0.30 0.35 -1.14 0.02 0.00 0.00 175.30 174.89 2a1e s GLN 58 N 0.29 3.83 -0.08 3.54 0.74 0.77 -0.63 119.66 128.13 2a1e s GLN 58 Ca 0.04 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.29 2a1e s GLN 58 Cb -0.12 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2a1e s GLN 58 CO 0.00 -0.37 -0.11 0.71 -0.55 0.00 0.00 175.29 174.97 2a1e s TYR 59 N 2.03 2.81 0.27 1.67 1.51 -0.49 -1.97 117.35 123.18 2a1e s TYR 59 Ca 0.13 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2a1e s TYR 59 Cb -0.16 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 2a1e s TYR 59 CO 0.11 0.13 0.24 -0.51 -1.11 0.00 0.00 175.55 174.41 2a1e s ASP 60 N -0.45 5.60 -1.35 2.29 1.01 -1.26 -0.64 116.67 121.88 2a1e s ASP 60 Ca 0.06 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 53.04 2a1e s ASP 60 Cb -0.12 -1.39 0.02 0.00 1.01 0.00 0.00 42.92 42.44 2a1e s ASP 60 CO 0.02 -0.10 0.79 0.00 0.21 0.00 0.00 175.17 176.09 2a1e n GLN 61 N -1.25 -5.26 -3.75 8.23 1.13 -1.13 -4.90 117.38 110.45 2a1e n GLN 61 Ca -0.07 0.64 -0.36 0.00 -1.94 0.00 0.00 57.00 55.27 2a1e n GLN 61 Cb 0.58 -5.31 -0.07 0.00 0.11 0.00 0.00 30.24 25.55 2a1e n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2a1e s ILE 62 N -3.57 5.40 -0.11 5.09 -1.09 0.15 -4.81 121.20 122.27 2a1e s ILE 62 Ca 0.15 0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 58.73 2a1e s ILE 62 Cb -0.07 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2a1e s ILE 62 CO 0.81 0.53 0.40 -0.63 -1.23 0.00 0.00 174.94 174.82 2a1e s ILE 63 N -0.42 5.20 -0.06 2.92 1.01 -1.26 -1.27 121.20 127.31 2a1e s ILE 63 Ca 0.14 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.62 2a1e s ILE 63 Cb -0.12 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.62 2a1e s ILE 63 CO 0.03 0.40 -0.15 -0.63 0.00 0.00 0.00 174.94 174.59 2a1e s ILE 64 N 0.24 1.31 -0.25 2.92 1.01 -0.12 -4.44 121.20 121.87 2a1e s ILE 64 Ca 0.23 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 2a1e s ILE 64 Cb -0.15 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2a1e s ILE 64 CO 0.09 0.39 0.48 -0.70 0.00 0.00 0.00 174.94 175.20 2a1e s GLU 65 N 0.48 4.09 -0.33 2.79 2.12 0.02 -1.03 118.70 126.84 2a1e s GLU 65 Ca -0.13 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 2a1e s GLU 65 Cb -0.15 -3.63 0.07 0.00 0.26 0.00 0.00 34.13 30.68 2a1e s GLU 65 CO 0.04 -0.27 0.05 0.42 -0.54 0.00 0.00 175.26 174.96 2a1e s ILE 66 N 2.06 2.99 -1.68 -3.70 1.01 0.49 -0.52 121.20 121.84 2a1e s ILE 66 Ca 0.20 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.06 2a1e s ILE 66 Cb -0.16 -2.83 0.15 0.00 0.01 0.00 0.00 42.46 39.63 2a1e s ILE 66 CO 0.09 -0.28 0.82 0.00 0.00 0.00 0.00 174.94 175.57 2a1e n ALA 67 N 4.59 -1.26 -0.10 9.38 0.00 -0.31 -0.84 120.51 131.96 2a1e n ALA 67 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2a1e n ALA 67 Cb 0.43 -3.65 0.00 0.00 0.00 0.00 0.00 19.45 16.23 2a1e n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1e n GLY 68 N -1.44 0.72 3.34 0.00 0.00 -1.26 -5.03 105.19 101.53 2a1e n GLY 68 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2a1e n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a1e s HIS 69 N -2.36 3.10 0.26 1.61 4.02 -0.02 -5.08 115.29 116.82 2a1e s HIS 69 Ca 0.00 -0.95 -0.26 0.00 1.02 0.00 0.00 55.06 54.87 2a1e s HIS 69 Cb 0.00 -2.21 -0.09 0.00 -1.02 0.00 0.00 32.58 29.26 2a1e s HIS 69 CO 0.00 -0.56 0.89 0.15 1.02 0.00 0.00 174.74 176.24 2a1e s LYS 70 N 1.50 4.61 0.02 1.40 1.02 -1.26 -0.38 119.74 126.64 2a1e s LYS 70 Ca 0.03 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.31 2a1e s LYS 70 Cb -0.16 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2a1e s LYS 70 CO 0.01 0.41 -0.03 0.00 -0.92 0.00 0.00 175.35 174.82 2a1e s ALA 71 N -1.40 0.17 0.02 5.17 0.00 -0.20 -4.78 121.76 120.74 2a1e s ALA 71 Ca 0.44 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2a1e s ALA 71 Cb -0.21 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2a1e s ALA 71 CO 0.26 -0.09 -0.22 -1.50 0.00 0.00 0.00 175.76 174.21 2a1e s ILE 72 N -1.06 1.78 -1.68 0.00 2.07 -1.26 -0.94 121.20 120.10 2a1e s ILE 72 Ca -0.11 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.02 2a1e s ILE 72 Cb -0.07 -1.51 0.00 0.00 0.13 0.00 0.00 42.46 41.01 2a1e s ILE 72 CO -0.01 0.36 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 2a1e n GLY 73 N 2.14 -0.94 3.72 1.50 0.00 -0.40 -4.91 105.19 106.30 2a1e n GLY 73 Ca -0.16 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2a1e n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a1e s THR 74 N -3.00 4.61 -0.07 2.61 2.01 -1.26 -0.67 115.64 119.86 2a1e s THR 74 Ca 0.00 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.06 2a1e s THR 74 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2a1e s THR 74 CO 0.00 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.32 2a1e s VAL 75 N 0.42 1.47 -0.08 3.82 1.01 0.19 -4.43 120.40 122.80 2a1e s VAL 75 Ca 0.49 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2a1e s VAL 75 Cb -0.23 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2a1e s VAL 75 CO 0.29 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 175.20 2a1e s LEU 76 N 0.37 4.31 -0.08 3.92 1.43 0.06 -1.39 118.68 127.30 2a1e s LEU 76 Ca -0.12 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2a1e s LEU 76 Cb -0.15 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2a1e s LEU 76 CO 0.05 0.36 -0.14 -0.69 0.23 0.00 0.00 176.35 176.16 2a1e s VAL 77 N -1.10 1.34 -1.58 -1.59 1.01 0.20 -0.40 120.40 118.26 2a1e s VAL 77 Ca 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2a1e s VAL 77 Cb -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2a1e s VAL 77 CO 0.08 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2a1e n GLY 78 N 3.94 -1.17 2.24 4.51 0.00 -0.50 -0.54 105.19 113.67 2a1e n GLY 78 Ca -0.21 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 2a1e n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a1e n PRO 79 N 0.00 3.24 -2.77 1.61 -0.04 -1.26 -3.25 135.00 132.53 2a1e n PRO 79 Ca 0.00 -1.96 -0.40 0.00 -0.04 0.00 0.00 63.50 61.10 2a1e n PRO 79 Cb 0.00 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 2a1e n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a1e s THR 80 N 1.42 4.28 -0.43 0.52 -1.32 -1.26 -4.94 115.64 113.91 2a1e s THR 80 Ca 0.68 2.03 0.25 0.00 -1.21 0.00 0.00 61.69 63.44 2a1e s THR 80 Cb 0.23 -4.30 0.27 0.00 -1.51 0.00 0.00 72.50 67.19 2a1e s THR 80 CO -0.05 0.43 1.75 1.55 -2.21 0.00 0.00 174.62 176.09 2a1e h PRO 81 N 4.75 0.00 -3.05 7.08 0.13 -1.98 -3.43 132.00 135.50 2a1e h PRO 81 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2a1e h PRO 81 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 2a1e h PRO 81 CO 0.69 0.00 -0.46 0.08 -0.23 0.00 0.00 178.00 178.09 2a1e s VAL 82 N -3.34 -0.03 0.13 1.56 1.01 -1.26 -5.11 120.40 113.36 2a1e s VAL 82 Ca 0.04 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2a1e s VAL 82 Cb 0.09 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 36.02 2a1e s VAL 82 CO 0.43 0.04 1.27 0.20 0.00 0.00 0.00 175.10 177.04 2a1e s ASN 83 N 0.86 6.97 -0.12 3.32 0.01 -1.26 -4.82 114.94 119.89 2a1e s ASN 83 Ca -0.06 2.23 0.02 0.00 -0.71 0.00 0.00 52.86 54.34 2a1e s ASN 83 Cb -0.07 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.01 2a1e s ASN 83 CO -0.06 -0.51 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.22 2a1e s ILE 84 N 0.61 1.70 -0.38 0.60 -1.09 0.64 -0.35 121.20 122.93 2a1e s ILE 84 Ca 0.58 -0.76 -0.17 0.00 -2.23 0.00 0.00 60.65 58.07 2a1e s ILE 84 Cb -0.34 -1.54 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 2a1e s ILE 84 CO 0.33 0.48 0.45 -0.63 -1.23 0.00 0.00 174.94 174.34 2a1e s ILE 85 N 0.98 5.07 0.49 2.92 -1.09 0.05 -0.99 121.20 128.62 2a1e s ILE 85 Ca -0.06 -0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.40 2a1e s ILE 85 Cb -0.15 -3.96 0.09 0.00 -1.58 0.00 0.00 42.46 36.86 2a1e s ILE 85 CO -0.03 -0.28 0.67 0.61 -1.23 0.00 0.00 174.94 174.69 2a1e n GLY 86 N 4.97 1.47 0.25 6.18 0.00 -1.21 -0.77 105.19 116.09 2a1e n GLY 86 Ca -0.07 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.90 2a1e n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a1e h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.88 -0.88 114.38 117.32 2a1e h ARG 87 Ca -0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2a1e h ARG 87 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2a1e h ARG 87 CO 0.29 0.09 -0.04 -2.95 -1.07 0.00 0.00 179.97 176.29 2a1e h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -1.51 115.58 118.25 2a1e h ASN 88 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 2a1e h ASN 88 Cb 0.17 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.37 2a1e h ASN 88 CO 0.01 0.04 -2.05 0.18 0.07 0.00 0.00 177.43 175.68 2a1e n LEU 89 N -3.77 0.00 -0.19 6.14 4.77 -0.65 -4.42 117.00 118.88 2a1e n LEU 89 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2a1e n LEU 89 Cb 0.14 0.33 0.25 0.00 -2.33 0.00 0.00 43.42 41.81 2a1e n LEU 89 CO 0.28 0.33 1.19 -0.07 -1.33 0.00 0.00 177.39 177.80 2a1e h LEU 90 N 0.00 0.83 -1.23 2.23 3.38 -0.87 -1.27 115.31 118.38 2a1e h LEU 90 Ca -0.37 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2a1e h LEU 90 Cb 1.80 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 2a1e h LEU 90 CO 0.02 0.63 0.52 0.71 0.09 0.00 0.00 178.44 180.41 2a1e h THR 91 N 0.96 1.20 0.00 0.22 1.35 -1.50 -1.38 112.91 113.76 2a1e h THR 91 Ca 0.25 -0.37 -0.08 0.00 -0.55 0.00 0.00 66.41 65.66 2a1e h THR 91 Cb -0.05 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.40 2a1e h THR 91 CO -0.05 0.20 -0.40 1.56 -0.25 0.00 0.00 175.52 176.58 2a1e h GLN 92 N 1.07 0.00 -0.25 4.72 1.08 -1.45 -1.80 115.11 118.48 2a1e h GLN 92 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2a1e h GLN 92 Cb -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2a1e h GLN 92 CO -0.06 0.40 0.00 0.44 -0.95 0.00 0.00 178.83 178.66 2a1e n ILE 93 N -3.66 0.32 -1.88 2.54 -5.35 -1.06 -4.93 119.36 105.34 2a1e n ILE 93 Ca -0.01 -0.47 -0.03 0.00 -0.27 0.00 0.00 62.75 61.97 2a1e n ILE 93 Cb 0.50 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2a1e n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a1e n GLY 94 N 1.23 0.32 3.74 3.28 0.00 -0.68 -5.00 105.19 108.08 2a1e n GLY 94 Ca 0.17 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2a1e n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1e s ALA 95 N -2.13 3.35 0.12 4.61 0.00 -0.54 -5.03 121.76 122.14 2a1e s ALA 95 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.77 2a1e s ALA 95 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2a1e s ALA 95 CO 0.00 -0.16 -0.11 0.95 0.00 0.00 0.00 175.76 176.44 2a1e s THR 96 N -0.25 1.09 -0.14 0.00 -4.23 -1.26 -4.69 115.64 106.16 2a1e s THR 96 Ca 0.49 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 2a1e s THR 96 Cb -0.28 -1.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 2a1e s THR 96 CO 0.34 -0.60 0.25 -0.76 -0.54 0.00 0.00 174.62 173.31 2a1e s LEU 97 N -2.69 4.30 -0.05 4.79 1.43 -1.26 -5.09 118.68 120.11 2a1e s LEU 97 Ca 0.10 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 2a1e s LEU 97 Cb -0.01 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.92 2a1e s LEU 97 CO 0.01 0.20 -0.09 0.20 0.23 0.00 0.00 176.35 176.90 2a1e s ASN 98 N -0.05 1.33 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.08 2a1e s ASN 98 Ca 0.16 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 2a1e s ASN 98 Cb -0.13 -0.56 0.00 0.00 -0.02 0.00 0.00 41.25 40.54 2a1e s ASN 98 CO 0.04 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.80