#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f81 s GLN 2 N 0.00 3.76 -0.21 0.54 0.74 -1.26 -5.09 119.66 118.14 2f81 s GLN 2 Ca 0.00 -0.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 2f81 s GLN 2 Cb 0.00 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.80 2f81 s GLN 2 CO 0.00 -0.06 -0.11 0.42 -0.55 0.00 0.00 175.29 174.99 2f81 s ILE 3 N 1.29 2.78 0.78 -2.34 1.01 -1.26 -5.10 121.20 118.36 2f81 s ILE 3 Ca 0.05 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2f81 s ILE 3 Cb -0.15 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.13 2f81 s ILE 3 CO 0.04 0.43 1.13 0.42 0.00 0.00 0.00 174.94 176.97 2f81 s THR 4 N 1.38 2.20 -0.17 2.92 -4.23 -1.26 -5.00 115.64 111.48 2f81 s THR 4 Ca 0.05 -0.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.71 2f81 s THR 4 Cb -0.14 -3.04 0.42 0.00 1.34 0.00 0.00 72.50 71.08 2f81 s THR 4 CO -0.07 -0.06 1.30 0.18 -0.54 0.00 0.00 174.62 175.43 2f81 n LEU 5 N -3.20 3.22 0.12 4.79 4.77 -1.26 -4.53 117.00 120.91 2f81 n LEU 5 Ca 0.08 -3.02 0.04 0.00 -0.03 0.00 0.00 56.01 53.08 2f81 n LEU 5 Cb 0.61 -0.49 0.44 0.00 -2.33 0.00 0.00 43.42 41.65 2f81 n LEU 5 CO 0.56 0.69 0.97 -0.50 -1.33 0.00 0.00 177.39 177.78 2f81 h TRP 6 N 1.05 0.26 -2.34 -1.77 4.06 -2.06 -3.43 115.95 111.72 2f81 h TRP 6 Ca 0.00 -0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.39 2f81 h TRP 6 Cb 1.24 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 29.18 2f81 h TRP 6 CO 0.28 0.30 -0.64 0.15 -3.56 0.00 0.00 178.44 174.97 2f81 s LYS 7 N -4.93 1.71 0.23 0.49 1.02 -1.26 -5.11 119.74 111.89 2f81 s LYS 7 Ca -0.06 -1.91 -0.32 0.00 0.02 0.00 0.00 55.97 53.70 2f81 s LYS 7 Cb 0.16 -1.30 -0.13 0.00 -0.52 0.00 0.00 37.83 36.04 2f81 s LYS 7 CO 0.72 -0.01 1.56 0.54 -0.92 0.00 0.00 175.35 177.24 2f81 n ARG 8 N -0.73 2.38 -2.47 1.68 1.74 -1.26 -4.87 116.66 113.13 2f81 n ARG 8 Ca -0.05 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.46 2f81 n ARG 8 Cb 0.65 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2f81 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2f81 n PRO 9 N 2.79 3.18 -3.09 5.56 -0.04 -1.26 -4.95 135.00 137.19 2f81 n PRO 9 Ca 0.13 -3.25 -0.39 0.00 -0.04 0.00 0.00 63.50 59.95 2f81 n PRO 9 Cb 0.33 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 2f81 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f81 s LEU 10 N 3.30 4.51 0.11 1.53 1.43 -1.26 -0.91 118.68 127.38 2f81 s LEU 10 Ca 0.51 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2f81 s LEU 10 Cb 0.05 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2f81 s LEU 10 CO 0.04 0.15 -0.05 0.68 0.23 0.00 0.00 176.35 177.40 2f81 s VAL 11 N -0.67 0.65 -0.02 -1.59 -7.23 0.51 -4.96 120.40 107.09 2f81 s VAL 11 Ca 0.34 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 2f81 s VAL 11 Cb -0.21 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 2f81 s VAL 11 CO 0.22 -0.82 0.65 -0.89 -0.31 0.00 0.00 175.10 173.95 2f81 s THR 12 N -3.66 4.94 0.28 5.32 2.01 -1.26 -0.85 115.64 122.43 2f81 s THR 12 Ca 0.13 1.36 0.12 0.00 0.31 0.00 0.00 61.69 63.61 2f81 s THR 12 Cb 0.06 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2f81 s THR 12 CO -0.04 0.35 -0.19 0.27 -0.69 0.00 0.00 174.62 174.31 2f81 s ILE 13 N 0.22 2.45 -0.10 1.82 -4.36 0.10 -1.48 121.20 119.86 2f81 s ILE 13 Ca 0.34 -2.40 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 2f81 s ILE 13 Cb -0.18 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.23 2f81 s ILE 13 CO 0.18 -0.39 -0.14 -0.75 0.24 0.00 0.00 174.94 174.07 2f81 s LYS 14 N -3.52 2.11 -0.12 0.37 2.20 0.12 -1.29 119.74 119.61 2f81 s LYS 14 Ca 0.30 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 55.33 2f81 s LYS 14 Cb -0.05 -1.80 0.05 0.00 -1.51 0.00 0.00 37.83 34.52 2f81 s LYS 14 CO 0.15 -0.06 0.29 -1.50 -0.36 0.00 0.00 175.35 173.87 2f81 s ILE 15 N 0.99 -0.06 -1.57 5.43 2.07 -0.51 -1.26 121.20 126.28 2f81 s ILE 15 Ca -0.07 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.29 2f81 s ILE 15 Cb -0.15 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.00 2f81 s ILE 15 CO -0.01 0.06 0.24 0.61 -1.91 0.00 0.00 174.94 173.92 2f81 n GLY 16 N 4.31 -0.51 2.89 1.50 0.00 -1.26 -0.57 105.19 111.55 2f81 n GLY 16 Ca -0.24 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2f81 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f81 n GLY 17 N -1.17 0.97 3.53 -0.02 0.00 -1.26 -5.02 105.19 102.23 2f81 n GLY 17 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2f81 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f81 s GLN 18 N -0.02 2.66 -0.04 1.61 -0.21 0.26 -5.10 119.66 118.82 2f81 s GLN 18 Ca 0.00 -0.61 -0.21 0.00 0.02 0.00 0.00 55.36 54.56 2f81 s GLN 18 Cb 0.00 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 2f81 s GLN 18 CO 0.00 0.64 0.59 -0.51 -2.12 0.00 0.00 175.29 173.89 2f81 s LEU 19 N -0.75 4.37 0.06 2.90 1.43 -1.26 -1.43 118.68 124.00 2f81 s LEU 19 Ca 0.12 1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 2f81 s LEU 19 Cb -0.11 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 2f81 s LEU 19 CO 0.01 0.04 0.02 -0.54 0.23 0.00 0.00 176.35 176.11 2f81 s LYS 20 N 0.16 0.67 -0.10 1.70 1.02 -0.41 -4.99 119.74 117.79 2f81 s LYS 20 Ca 0.31 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.07 2f81 s LYS 20 Cb -0.17 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 2f81 s LYS 20 CO 0.16 -0.15 0.15 -1.21 -0.92 0.00 0.00 175.35 173.38 2f81 s GLU 21 N -3.91 3.45 0.05 1.68 0.41 -1.26 0.02 118.70 119.13 2f81 s GLU 21 Ca 0.07 -0.15 -0.08 0.00 -0.41 0.00 0.00 54.97 54.41 2f81 s GLU 21 Cb 0.07 -3.18 -0.00 0.00 -1.78 0.00 0.00 34.13 29.24 2f81 s GLU 21 CO -0.10 0.76 0.16 0.00 -0.49 0.00 0.00 175.26 175.60 2f81 s ALA 22 N -1.07 -0.23 -0.20 5.21 0.00 -0.03 -4.56 121.76 120.87 2f81 s ALA 22 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 2f81 s ALA 22 Cb -0.12 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2f81 s ALA 22 CO 0.06 -0.38 0.53 -1.17 0.00 0.00 0.00 175.76 174.81 2f81 s LEU 23 N -2.27 4.15 -0.42 0.00 2.96 -0.05 -0.36 118.68 122.69 2f81 s LEU 23 Ca -0.03 0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 2f81 s LEU 23 Cb 0.00 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.97 2f81 s LEU 23 CO -0.06 -0.19 1.40 -0.76 -1.32 0.00 0.00 176.35 175.42 2f81 s LEU 24 N 1.68 3.59 -0.37 -0.68 1.43 -0.08 -0.70 118.68 123.54 2f81 s LEU 24 Ca 0.25 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2f81 s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2f81 s LEU 24 CO 0.10 -1.43 0.12 -0.62 0.23 0.00 0.00 176.35 174.75 2f81 s ASP 25 N 3.89 4.30 0.43 2.29 -1.08 -0.34 -4.76 116.67 121.40 2f81 s ASP 25 Ca 0.61 -2.15 0.30 0.00 -0.52 0.00 0.00 52.55 50.78 2f81 s ASP 25 Cb -0.13 -1.29 1.36 0.00 -1.46 0.00 0.00 42.92 41.40 2f81 s ASP 25 CO 0.33 -0.36 1.90 0.71 0.52 0.00 0.00 175.17 178.27 2f81 h THR 26 N 6.24 0.00 -0.01 1.71 1.35 -1.93 -1.63 112.91 118.64 2f81 h THR 26 Ca -0.07 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2f81 h THR 26 Cb 0.99 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2f81 h THR 26 CO 0.52 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 176.32 2f81 n GLY 27 N -0.32 -0.78 3.57 5.82 0.00 -1.26 -4.80 105.19 107.42 2f81 n GLY 27 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2f81 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f81 s ALA 28 N -2.32 3.38 0.25 4.61 0.00 -0.61 -4.97 121.76 122.09 2f81 s ALA 28 Ca 0.33 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2f81 s ALA 28 Cb 0.20 -2.14 0.30 0.00 0.00 0.00 0.00 23.12 21.48 2f81 s ALA 28 CO 0.44 -0.23 1.71 -0.44 0.00 0.00 0.00 175.76 177.24 2f81 h ASP 29 N 7.64 0.74 -5.02 0.00 3.32 -1.87 0.65 116.42 121.88 2f81 h ASP 29 Ca -0.37 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.30 2f81 h ASP 29 Cb 1.17 -0.20 -0.18 0.00 0.22 0.00 0.00 39.33 40.35 2f81 h ASP 29 CO 0.63 0.87 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.51 2f81 s ASP 30 N -6.70 0.49 0.05 6.45 1.01 -1.26 -2.36 116.67 114.34 2f81 s ASP 30 Ca -0.09 -0.75 -0.31 0.00 0.71 0.00 0.00 52.55 52.12 2f81 s ASP 30 Cb 0.14 0.13 -0.05 0.00 1.01 0.00 0.00 42.92 44.15 2f81 s ASP 30 CO 0.82 -0.42 1.21 -0.89 0.21 0.00 0.00 175.17 176.10 2f81 s THR 31 N -2.61 4.02 -0.06 -1.27 2.01 -1.26 -4.22 115.64 112.25 2f81 s THR 31 Ca -0.04 1.44 -0.00 0.00 0.31 0.00 0.00 61.69 63.40 2f81 s THR 31 Cb -0.02 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.59 2f81 s THR 31 CO -0.05 0.10 -0.03 0.54 -0.69 0.00 0.00 174.62 174.49 2f81 s VAL 32 N 1.23 0.51 0.05 3.82 0.11 -0.15 -0.98 120.40 124.99 2f81 s VAL 32 Ca 0.59 -0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.69 2f81 s VAL 32 Cb -0.29 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2f81 s VAL 32 CO 0.28 0.25 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.47 2f81 s ILE 33 N 1.45 2.59 0.79 7.04 -1.09 0.24 -0.69 121.20 131.53 2f81 s ILE 33 Ca -0.03 -1.30 -0.14 0.00 -2.23 0.00 0.00 60.65 56.95 2f81 s ILE 33 Cb -0.13 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.71 2f81 s ILE 33 CO -0.03 0.31 1.03 -0.62 -1.23 0.00 0.00 174.94 174.40 2f81 n GLU 34 N 1.51 0.25 -1.63 2.79 1.02 -1.26 -1.31 120.64 122.02 2f81 n GLU 34 Ca -0.16 0.15 -0.50 0.00 -0.02 0.00 0.00 57.16 56.63 2f81 n GLU 34 Cb 0.52 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 2f81 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2f81 n GLU 35 N -2.57 1.54 -3.52 3.49 -0.58 -1.21 -4.60 120.64 113.18 2f81 n GLU 35 Ca 0.13 0.55 -0.10 0.00 -0.42 0.00 0.00 57.16 57.32 2f81 n GLU 35 Cb 0.50 -2.25 -0.02 0.00 -0.57 0.00 0.00 31.44 29.10 2f81 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f81 s MET 36 N 0.92 1.28 0.22 3.49 0.23 -1.26 -5.03 119.30 119.15 2f81 s MET 36 Ca 0.83 -0.54 -0.21 0.00 -1.03 0.00 0.00 55.69 54.74 2f81 s MET 36 Cb -0.85 0.55 -0.08 0.00 -1.53 0.00 0.00 34.83 32.91 2f81 s MET 36 CO 0.45 -0.57 0.75 -1.12 -2.03 0.00 0.00 175.02 172.50 2f81 s SER 37 N -2.74 7.16 0.04 -1.18 0.01 -1.26 -5.02 113.70 110.70 2f81 s SER 37 Ca 0.04 1.51 0.02 0.00 1.31 0.00 0.00 55.95 58.82 2f81 s SER 37 Cb -0.02 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2f81 s SER 37 CO -0.08 0.07 -0.07 -0.76 0.41 0.00 0.00 173.24 172.80 2f81 s LEU 38 N -1.79 2.23 0.64 2.44 1.43 -1.26 -4.92 118.68 117.46 2f81 s LEU 38 Ca 0.42 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 2f81 s LEU 38 Cb -0.18 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2f81 s LEU 38 CO 0.22 -0.18 1.04 -2.16 0.23 0.00 0.00 176.35 175.50 2f81 s PRO 39 N -1.45 3.40 1.67 1.29 0.04 -1.26 -4.94 135.00 133.75 2f81 s PRO 39 Ca -0.09 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2f81 s PRO 39 Cb -0.09 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2f81 s PRO 39 CO 0.00 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2f81 n GLY 40 N -2.59 -1.66 3.84 0.56 0.00 -1.26 -4.98 105.19 99.10 2f81 n GLY 40 Ca 0.06 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2f81 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f81 s ARG 41 N 0.00 3.68 0.12 1.61 0.52 -1.26 -5.07 118.95 118.55 2f81 s ARG 41 Ca 0.00 0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 56.06 2f81 s ARG 41 Cb 0.00 -2.09 -0.00 0.00 0.52 0.00 0.00 34.95 33.37 2f81 s ARG 41 CO 0.00 -0.50 0.24 1.67 0.02 0.00 0.00 175.30 176.73 2f81 s TRP 42 N -2.77 0.24 0.04 -0.53 1.48 -1.26 -4.46 118.94 111.68 2f81 s TRP 42 Ca 0.59 -0.64 0.00 0.00 -1.06 0.00 0.00 56.10 54.99 2f81 s TRP 42 Cb -0.11 -0.04 -0.03 0.00 -1.16 0.00 0.00 33.47 32.13 2f81 s TRP 42 CO 0.40 -0.63 -0.04 -1.59 -4.06 0.00 0.00 176.95 171.03 2f81 s LYS 43 N -3.90 0.48 0.47 3.25 -2.85 -0.78 -4.92 119.74 111.47 2f81 s LYS 43 Ca 0.10 -0.87 -0.20 0.00 -1.00 0.00 0.00 55.97 54.00 2f81 s LYS 43 Cb 0.04 0.04 -0.09 0.00 -2.06 0.00 0.00 37.83 35.76 2f81 s LYS 43 CO -0.06 -0.05 1.00 -1.25 0.10 0.00 0.00 175.35 175.09 2f81 s PRO 44 N -2.38 3.96 0.02 1.78 0.04 -1.26 -0.35 135.00 136.81 2f81 s PRO 44 Ca -0.06 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 2f81 s PRO 44 Cb -0.04 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2f81 s PRO 44 CO -0.04 -0.28 0.19 0.21 0.04 0.00 0.00 177.00 177.13 2f81 s LYS 45 N -3.28 0.63 -0.11 4.56 2.20 -0.52 -4.84 119.74 118.37 2f81 s LYS 45 Ca 0.65 -0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2f81 s LYS 45 Cb -0.13 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2f81 s LYS 45 CO 0.18 -0.17 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.26 2f81 s MET 46 N -2.03 3.20 0.04 4.03 -1.94 -1.26 -0.59 119.30 120.75 2f81 s MET 46 Ca -0.09 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.32 2f81 s MET 46 Cb -0.04 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 2f81 s MET 46 CO -0.01 0.36 -0.19 0.96 -0.01 0.00 0.00 175.02 176.13 2f81 s ILE 47 N -0.01 1.51 0.02 2.53 -4.36 -0.60 -4.97 121.20 115.32 2f81 s ILE 47 Ca -0.02 -1.15 0.08 0.00 -0.26 0.00 0.00 60.65 59.30 2f81 s ILE 47 Cb -0.14 -1.33 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 2f81 s ILE 47 CO 0.04 0.14 -0.24 -0.83 0.24 0.00 0.00 174.94 174.29 2f81 s GLY 48 N -1.19 1.25 0.00 6.27 0.00 -1.26 -1.03 107.32 111.36 2f81 s GLY 48 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2f81 s GLY 48 CO 0.02 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.72 2f81 n GLY 49 N 2.03 4.57 0.18 0.20 0.00 -0.22 -4.97 105.19 106.99 2f81 n GLY 49 Ca -0.17 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 2f81 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2f81 h ILE 50 N 0.00 0.57 -0.57 -0.61 2.10 -2.03 -2.31 117.51 114.66 2f81 h ILE 50 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 2f81 h ILE 50 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.28 2f81 h ILE 50 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 2f81 n GLY 51 N -1.32 2.07 0.00 8.18 0.00 -1.26 -5.05 105.19 107.81 2f81 n GLY 51 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2f81 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f81 n GLY 52 N 1.19 -0.31 3.72 -0.02 0.00 -0.87 -5.06 105.19 103.83 2f81 n GLY 52 Ca 0.21 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 2f81 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f81 s PHE 53 N 0.00 3.00 0.11 1.61 0.40 -1.26 -1.06 117.98 120.79 2f81 s PHE 53 Ca 0.00 -0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.35 2f81 s PHE 53 Cb 0.00 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2f81 s PHE 53 CO 0.00 0.51 -0.18 0.96 0.70 0.00 0.00 175.22 177.21 2f81 s ILE 54 N -1.58 1.57 -0.04 0.64 -4.36 -0.19 -4.97 121.20 112.27 2f81 s ILE 54 Ca 0.28 -1.62 -0.22 0.00 -0.26 0.00 0.00 60.65 58.84 2f81 s ILE 54 Cb -0.10 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 2f81 s ILE 54 CO 0.20 -0.21 0.63 -0.75 0.24 0.00 0.00 174.94 175.05 2f81 s LYS 55 N -2.21 4.38 0.23 0.37 2.20 -1.26 -1.56 119.74 121.88 2f81 s LYS 55 Ca 0.08 0.77 0.04 0.00 -0.36 0.00 0.00 55.97 56.49 2f81 s LYS 55 Cb -0.08 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2f81 s LYS 55 CO 0.04 0.22 -0.01 0.14 -0.36 0.00 0.00 175.35 175.38 2f81 s VAL 56 N 0.30 1.06 -0.18 4.02 -7.23 0.24 -4.42 120.40 114.20 2f81 s VAL 56 Ca 0.33 -2.04 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2f81 s VAL 56 Cb -0.18 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 2f81 s VAL 56 CO 0.17 -0.36 0.27 -0.13 -0.31 0.00 0.00 175.10 174.74 2f81 s ARG 57 N -3.85 4.22 -0.34 4.82 0.52 0.22 -1.44 118.95 123.10 2f81 s ARG 57 Ca 0.28 0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.37 2f81 s ARG 57 Cb 0.05 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 2f81 s ARG 57 CO 0.08 0.20 0.31 -1.14 0.02 0.00 0.00 175.30 174.77 2f81 s GLN 58 N 0.60 3.54 -0.17 3.54 0.74 0.53 -0.69 119.66 127.74 2f81 s GLN 58 Ca 0.15 -0.51 -0.05 0.00 0.05 0.00 0.00 55.36 54.99 2f81 s GLN 58 Cb -0.13 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 2f81 s GLN 58 CO 0.03 -0.48 0.00 0.71 -0.55 0.00 0.00 175.29 175.00 2f81 s TYR 59 N 1.89 3.10 0.26 1.67 1.51 -0.18 -1.88 117.35 123.72 2f81 s TYR 59 Ca 0.09 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 2f81 s TYR 59 Cb -0.17 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2f81 s TYR 59 CO 0.11 -0.01 0.41 -0.51 -1.11 0.00 0.00 175.55 174.44 2f81 s ASP 60 N 0.46 6.32 -1.31 2.29 1.01 -1.26 -0.77 116.67 123.41 2f81 s ASP 60 Ca -0.01 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.40 2f81 s ASP 60 Cb -0.14 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2f81 s ASP 60 CO 0.02 -0.12 0.97 0.00 0.21 0.00 0.00 175.17 176.25 2f81 n GLN 61 N -1.41 -6.37 -3.78 8.23 6.02 -1.15 -4.91 117.38 114.00 2f81 n GLN 61 Ca -0.08 0.75 -0.36 0.00 -0.01 0.00 0.00 57.00 57.31 2f81 n GLN 61 Cb 0.56 -5.65 -0.07 0.00 1.02 0.00 0.00 30.24 26.10 2f81 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2f81 s ILE 62 N -3.42 5.44 -0.06 5.09 -1.09 -0.06 -4.80 121.20 122.30 2f81 s ILE 62 Ca 0.22 0.21 -0.18 0.00 -2.23 0.00 0.00 60.65 58.68 2f81 s ILE 62 Cb -0.10 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 2f81 s ILE 62 CO 0.76 0.51 0.49 -0.63 -1.23 0.00 0.00 174.94 174.84 2f81 s ILE 63 N -0.20 5.07 -0.00 2.92 1.01 -1.26 -1.21 121.20 127.53 2f81 s ILE 63 Ca 0.11 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.77 2f81 s ILE 63 Cb -0.12 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2f81 s ILE 63 CO 0.01 0.42 -0.07 -0.63 0.00 0.00 0.00 174.94 174.67 2f81 s ILE 64 N -0.05 0.55 -0.26 2.92 1.01 0.12 -4.51 121.20 120.99 2f81 s ILE 64 Ca 0.26 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 2f81 s ILE 64 Cb -0.16 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 2f81 s ILE 64 CO 0.13 0.13 0.33 -0.70 0.00 0.00 0.00 174.94 174.83 2f81 s GLU 65 N -0.23 4.04 -0.23 2.79 2.12 -0.38 -0.91 118.70 125.90 2f81 s GLU 65 Ca 0.02 -0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.36 2f81 s GLU 65 Cb -0.03 -3.62 0.05 0.00 0.26 0.00 0.00 34.13 30.78 2f81 s GLU 65 CO -0.00 -0.18 -0.14 0.42 -0.54 0.00 0.00 175.26 174.81 2f81 s ILE 66 N 1.78 2.14 -1.64 -3.70 1.01 0.38 -0.70 121.20 120.47 2f81 s ILE 66 Ca 0.14 -1.39 -0.14 0.00 0.00 0.00 0.00 60.65 59.26 2f81 s ILE 66 Cb -0.15 -2.14 0.12 0.00 0.01 0.00 0.00 42.46 40.30 2f81 s ILE 66 CO 0.09 0.17 0.67 0.00 0.00 0.00 0.00 174.94 175.87 2f81 n ALA 67 N 4.50 -1.45 -0.80 9.38 0.00 -0.55 -0.59 120.51 131.00 2f81 n ALA 67 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2f81 n ALA 67 Cb 0.45 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2f81 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f81 n GLY 68 N -1.57 0.83 3.27 0.00 0.00 -1.26 -5.02 105.19 101.43 2f81 n GLY 68 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2f81 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f81 s HIS 69 N -3.21 2.78 0.31 1.61 4.02 0.24 -5.10 115.29 115.95 2f81 s HIS 69 Ca 0.00 -1.02 -0.27 0.00 1.02 0.00 0.00 55.06 54.79 2f81 s HIS 69 Cb 0.00 -1.89 -0.10 0.00 -1.02 0.00 0.00 32.58 29.58 2f81 s HIS 69 CO 0.00 -0.46 0.95 0.15 1.02 0.00 0.00 174.74 176.40 2f81 s LYS 70 N 0.80 4.63 0.01 1.40 1.02 -1.26 -0.47 119.74 125.87 2f81 s LYS 70 Ca -0.05 1.39 -0.07 0.00 0.02 0.00 0.00 55.97 57.25 2f81 s LYS 70 Cb -0.15 -2.92 -0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2f81 s LYS 70 CO 0.00 0.32 0.14 0.00 -0.92 0.00 0.00 175.35 174.89 2f81 s ALA 71 N -1.50 -0.29 0.02 5.17 0.00 -0.09 -4.79 121.76 120.28 2f81 s ALA 71 Ca 0.48 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.28 2f81 s ALA 71 Cb -0.21 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2f81 s ALA 71 CO 0.26 -0.25 -0.18 -1.50 0.00 0.00 0.00 175.76 174.10 2f81 s ILE 72 N -1.75 1.43 -2.18 0.00 2.07 -1.26 -0.71 121.20 118.81 2f81 s ILE 72 Ca -0.12 -0.96 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2f81 s ILE 72 Cb -0.06 -1.23 0.00 0.00 0.13 0.00 0.00 42.46 41.30 2f81 s ILE 72 CO -0.00 0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.89 2f81 n GLY 73 N 2.22 -0.80 3.74 1.50 0.00 -0.35 -4.91 105.19 106.59 2f81 n GLY 73 Ca -0.16 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2f81 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f81 s THR 74 N -3.00 4.31 -0.09 2.61 2.01 -1.26 -0.88 115.64 119.33 2f81 s THR 74 Ca 0.00 2.07 0.02 0.00 0.31 0.00 0.00 61.69 64.08 2f81 s THR 74 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.21 2f81 s THR 74 CO 0.00 0.40 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 2f81 s VAL 75 N -0.55 1.31 -0.06 3.82 1.01 0.05 -4.46 120.40 121.52 2f81 s VAL 75 Ca 0.44 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 2f81 s VAL 75 Cb -0.24 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2f81 s VAL 75 CO 0.31 0.40 0.36 -0.76 0.00 0.00 0.00 175.10 175.41 2f81 s LEU 76 N 0.98 4.39 -0.12 3.92 1.43 -0.15 -1.01 118.68 128.12 2f81 s LEU 76 Ca -0.08 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2f81 s LEU 76 Cb -0.15 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.59 2f81 s LEU 76 CO -0.01 0.25 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 2f81 s VAL 77 N -0.55 1.69 -1.10 -1.59 1.01 0.13 -0.59 120.40 119.39 2f81 s VAL 77 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2f81 s VAL 77 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2f81 s VAL 77 CO 0.10 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2f81 n GLY 78 N 4.18 -1.12 2.22 4.51 0.00 -0.42 -0.61 105.19 113.95 2f81 n GLY 78 Ca -0.19 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 2f81 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f81 n PRO 79 N 0.00 2.93 -2.47 1.61 -0.04 -1.26 -3.32 135.00 132.45 2f81 n PRO 79 Ca 0.00 -1.86 -0.39 0.00 -0.04 0.00 0.00 63.50 61.21 2f81 n PRO 79 Cb 0.00 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 2f81 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2f81 s THR 80 N 0.74 3.48 -0.48 0.52 -1.32 -1.26 -4.95 115.64 112.38 2f81 s THR 80 Ca 0.66 1.41 0.25 0.00 -1.21 0.00 0.00 61.69 62.80 2f81 s THR 80 Cb 0.27 -3.87 0.27 0.00 -1.51 0.00 0.00 72.50 67.66 2f81 s THR 80 CO -0.06 0.28 1.75 1.55 -2.21 0.00 0.00 174.62 175.93 2f81 h PRO 81 N 3.50 0.00 -3.26 7.08 0.13 -1.98 -3.43 132.00 134.03 2f81 h PRO 81 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2f81 h PRO 81 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2f81 h PRO 81 CO 0.66 0.00 -0.46 0.08 -0.23 0.00 0.00 178.00 178.05 2f81 s VAL 82 N -3.30 0.02 0.05 1.56 1.01 -1.26 -5.10 120.40 113.38 2f81 s VAL 82 Ca 0.05 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 2f81 s VAL 82 Cb 0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 2f81 s VAL 82 CO 0.46 -0.09 1.34 0.20 0.00 0.00 0.00 175.10 177.01 2f81 s ASN 83 N -0.27 6.90 -0.09 3.32 0.01 -1.26 -4.71 114.94 118.83 2f81 s ASN 83 Ca -0.04 2.14 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 2f81 s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2f81 s ASN 83 CO 0.01 -0.64 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.18 2f81 s ILE 84 N 1.71 1.43 -0.37 0.60 1.01 0.13 -0.87 121.20 124.84 2f81 s ILE 84 Ca 0.63 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2f81 s ILE 84 Cb -0.32 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2f81 s ILE 84 CO 0.28 0.42 0.58 -0.63 0.00 0.00 0.00 174.94 175.59 2f81 s ILE 85 N 0.79 4.94 0.56 2.92 -1.09 0.13 -0.98 121.20 128.47 2f81 s ILE 85 Ca -0.11 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 2f81 s ILE 85 Cb -0.16 -4.04 0.11 0.00 -1.58 0.00 0.00 42.46 36.79 2f81 s ILE 85 CO 0.02 -0.31 0.78 0.61 -1.23 0.00 0.00 174.94 174.80 2f81 n GLY 86 N 4.79 1.04 0.32 6.18 0.00 -1.26 -1.20 105.19 115.06 2f81 n GLY 86 Ca -0.03 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 44.00 2f81 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f81 h ARG 87 N 0.00 0.36 -0.58 1.61 3.08 -0.84 -1.40 114.38 116.62 2f81 h ARG 87 Ca -0.26 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.87 2f81 h ARG 87 Cb 1.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2f81 h ARG 87 CO 0.30 0.24 0.39 -2.95 -1.07 0.00 0.00 179.97 176.88 2f81 h ASN 88 N 0.37 0.33 0.01 7.04 -0.00 -1.72 -1.35 115.58 120.25 2f81 h ASN 88 Ca 0.17 0.01 -0.29 0.00 -0.00 0.00 0.00 56.30 56.19 2f81 h ASN 88 Cb 0.21 -0.06 -0.06 0.00 -0.00 0.00 0.00 38.32 38.41 2f81 h ASN 88 CO -0.04 0.20 -2.30 0.18 -0.00 0.00 0.00 177.43 175.47 2f81 n LEU 89 N -4.47 0.01 0.03 6.14 4.77 -0.86 -4.42 117.00 118.21 2f81 n LEU 89 Ca 0.10 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.09 2f81 n LEU 89 Cb 0.39 0.39 0.35 0.00 -2.33 0.00 0.00 43.42 42.21 2f81 n LEU 89 CO 0.34 0.39 0.96 0.24 -1.33 0.00 0.00 177.39 178.00 2f81 h MET 90 N 0.00 0.45 -0.57 3.23 2.86 -0.84 -1.70 114.93 118.36 2f81 h MET 90 Ca -0.43 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.13 2f81 h MET 90 Cb 1.99 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 33.55 2f81 h MET 90 CO 0.02 0.47 0.37 1.79 1.06 0.00 0.00 176.91 180.63 2f81 h THR 91 N 0.44 1.13 0.00 2.22 1.35 -1.47 -1.98 112.91 114.61 2f81 h THR 91 Ca 0.10 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 65.67 2f81 h THR 91 Cb 0.27 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 2f81 h THR 91 CO 0.01 0.14 -0.13 1.56 -0.25 0.00 0.00 175.52 176.84 2f81 h GLN 92 N 0.75 0.00 -0.39 4.72 1.08 -1.52 -1.55 115.11 118.20 2f81 h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2f81 h GLN 92 Cb -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2f81 h GLN 92 CO -0.05 0.13 0.00 0.44 -0.95 0.00 0.00 178.83 178.41 2f81 n ILE 93 N -3.28 0.51 -1.42 2.54 -5.35 -1.04 -4.93 119.36 106.40 2f81 n ILE 93 Ca 0.00 -0.71 -0.03 0.00 -0.27 0.00 0.00 62.75 61.75 2f81 n ILE 93 Cb 0.39 0.84 -0.01 0.00 -1.74 0.00 0.00 39.64 39.12 2f81 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f81 n GLY 94 N 1.47 0.47 3.75 3.28 0.00 -0.58 -5.00 105.19 108.56 2f81 n GLY 94 Ca 0.19 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2f81 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f81 s ALA 95 N -2.11 3.44 0.08 4.61 0.00 -0.77 -5.03 121.76 121.98 2f81 s ALA 95 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.96 2f81 s ALA 95 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2f81 s ALA 95 CO 0.00 -0.34 -0.06 0.95 0.00 0.00 0.00 175.76 176.31 2f81 s THR 96 N -0.64 0.59 -0.13 0.00 -4.23 -1.26 -4.73 115.64 105.24 2f81 s THR 96 Ca 0.49 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 2f81 s THR 96 Cb -0.34 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 2f81 s THR 96 CO 0.41 -0.83 0.25 -0.76 -0.54 0.00 0.00 174.62 173.14 2f81 s LEU 97 N -2.83 4.31 -0.03 4.79 1.43 -1.26 -5.08 118.68 120.01 2f81 s LEU 97 Ca 0.08 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 2f81 s LEU 97 Cb 0.04 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2f81 s LEU 97 CO -0.05 0.23 -0.10 0.20 0.23 0.00 0.00 176.35 176.86 2f81 s ASN 98 N -0.19 1.35 0.00 2.29 0.01 -1.26 -5.29 114.94 111.85 2f81 s ASN 98 Ca 0.16 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2f81 s ASN 98 Cb -0.13 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.16 2f81 s ASN 98 CO 0.04 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.93