#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r43 s GLN 2 N 0.00 2.91 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.26 2r43 s GLN 2 Ca 0.00 -0.94 -0.07 0.00 0.05 0.00 0.00 55.36 54.41 2r43 s GLN 2 Cb 0.00 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 2r43 s GLN 2 CO 0.00 -0.40 0.05 0.42 -0.55 0.00 0.00 175.29 174.81 2r43 s ILE 3 N 1.37 4.26 0.69 -2.34 1.01 -1.26 -5.09 121.20 119.84 2r43 s ILE 3 Ca 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.32 2r43 s ILE 3 Cb -0.17 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.35 2r43 s ILE 3 CO -0.03 0.38 1.11 0.28 0.00 0.00 0.00 174.94 176.68 2r43 s THR 4 N 1.29 3.23 -0.43 2.92 -1.32 -1.26 -4.99 115.64 115.08 2r43 s THR 4 Ca 0.05 0.53 0.12 0.00 -1.21 0.00 0.00 61.69 61.17 2r43 s THR 4 Cb -0.15 -3.04 0.32 0.00 -1.51 0.00 0.00 72.50 68.12 2r43 s THR 4 CO 0.03 -0.40 1.25 0.18 -2.21 0.00 0.00 174.62 173.47 2r43 n LEU 5 N -2.70 2.98 -0.18 9.08 4.77 -1.26 -4.54 117.00 125.15 2r43 n LEU 5 Ca 0.10 -2.45 0.09 0.00 -0.03 0.00 0.00 56.01 53.71 2r43 n LEU 5 Cb 0.52 -0.31 0.38 0.00 -2.33 0.00 0.00 43.42 41.68 2r43 n LEU 5 CO 0.49 0.67 1.21 -0.50 -1.33 0.00 0.00 177.39 177.93 2r43 h TRP 6 N 1.33 0.72 -2.08 -1.77 4.06 -2.06 -3.43 115.95 112.72 2r43 h TRP 6 Ca 0.00 0.02 -0.58 0.00 2.06 0.00 0.00 58.89 60.38 2r43 h TRP 6 Cb 0.94 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 28.73 2r43 h TRP 6 CO 0.24 0.35 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.17 2r43 s GLN 7 N -5.63 1.79 0.29 0.49 1.11 -1.26 -5.11 119.66 111.35 2r43 s GLN 7 Ca -0.09 -1.96 -0.30 0.00 0.01 0.00 0.00 55.36 53.02 2r43 s GLN 7 Cb 0.20 -1.50 -0.12 0.00 -1.01 0.00 0.00 33.01 30.57 2r43 s GLN 7 CO 0.77 0.03 1.48 0.54 0.01 0.00 0.00 175.29 178.13 2r43 n ARG 8 N -0.79 2.39 -2.57 2.91 1.74 -1.26 -4.85 116.66 114.22 2r43 n ARG 8 Ca -0.05 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 2r43 n ARG 8 Cb 0.65 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 2r43 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r43 n PRO 9 N 1.76 3.20 -3.37 5.56 -0.04 -1.26 -4.95 135.00 135.89 2r43 n PRO 9 Ca 0.08 -3.28 -0.38 0.00 -0.04 0.00 0.00 63.50 59.89 2r43 n PRO 9 Cb 0.35 -3.48 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 2r43 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r43 s LEU 10 N 4.12 4.37 0.16 1.53 1.43 -1.26 -1.19 118.68 127.83 2r43 s LEU 10 Ca 0.54 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2r43 s LEU 10 Cb 0.04 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2r43 s LEU 10 CO 0.07 0.14 0.01 0.68 0.23 0.00 0.00 176.35 177.49 2r43 s VAL 11 N -0.15 0.52 -0.02 -1.59 -7.23 -0.02 -4.95 120.40 106.97 2r43 s VAL 11 Ca 0.26 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.27 2r43 s VAL 11 Cb -0.16 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2r43 s VAL 11 CO 0.12 -0.50 0.59 -0.89 -0.31 0.00 0.00 175.10 174.12 2r43 s THR 12 N -3.76 4.94 0.22 5.32 2.01 -1.26 -0.69 115.64 122.41 2r43 s THR 12 Ca 0.23 1.23 0.09 0.00 0.31 0.00 0.00 61.69 63.55 2r43 s THR 12 Cb 0.06 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2r43 s THR 12 CO 0.03 0.40 -0.17 0.27 -0.69 0.00 0.00 174.62 174.46 2r43 s ILE 13 N -0.07 1.94 -0.12 1.82 -4.36 0.67 -1.91 121.20 119.17 2r43 s ILE 13 Ca 0.31 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 2r43 s ILE 13 Cb -0.18 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.48 2r43 s ILE 13 CO 0.17 -0.49 -0.14 -0.75 0.24 0.00 0.00 174.94 173.96 2r43 s LYS 14 N -3.44 2.19 -0.17 0.37 2.20 -0.01 -0.67 119.74 120.21 2r43 s LYS 14 Ca 0.23 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.19 2r43 s LYS 14 Cb -0.03 -1.92 0.05 0.00 -1.51 0.00 0.00 37.83 34.43 2r43 s LYS 14 CO 0.09 -0.12 0.42 -1.50 -0.36 0.00 0.00 175.35 173.88 2r43 s ILE 15 N 1.15 -0.02 -1.74 5.43 2.07 -0.31 -1.04 121.20 126.74 2r43 s ILE 15 Ca -0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 2r43 s ILE 15 Cb -0.14 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.84 2r43 s ILE 15 CO -0.04 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2r43 n GLY 16 N 3.72 0.04 2.08 1.50 0.00 -1.26 -1.11 105.19 110.16 2r43 n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2r43 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r43 n GLY 17 N -0.83 0.76 3.48 -0.02 0.00 -1.26 -5.02 105.19 102.30 2r43 n GLY 17 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2r43 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r43 s GLN 18 N -0.18 2.65 -0.11 1.61 -0.21 -0.26 -5.11 119.66 118.05 2r43 s GLN 18 Ca 0.00 -0.67 -0.19 0.00 0.02 0.00 0.00 55.36 54.52 2r43 s GLN 18 Cb 0.00 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 2r43 s GLN 18 CO 0.00 0.58 0.53 -0.51 -2.12 0.00 0.00 175.29 173.77 2r43 s LEU 19 N -0.62 4.28 0.10 2.90 1.43 -1.26 -1.17 118.68 124.34 2r43 s LEU 19 Ca 0.09 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2r43 s LEU 19 Cb -0.11 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2r43 s LEU 19 CO 0.01 -0.03 -0.06 -0.54 0.23 0.00 0.00 176.35 175.95 2r43 s LYS 20 N 0.71 0.83 -0.08 1.70 1.02 0.15 -4.98 119.74 119.09 2r43 s LYS 20 Ca 0.28 -1.33 -0.11 0.00 0.02 0.00 0.00 55.97 54.83 2r43 s LYS 20 Cb -0.16 -0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 36.91 2r43 s LYS 20 CO 0.12 -0.02 0.27 -2.00 -0.92 0.00 0.00 175.35 172.80 2r43 s GLU 21 N -3.82 3.79 0.04 1.68 2.12 -1.26 -0.24 118.70 121.00 2r43 s GLU 21 Ca 0.12 0.12 -0.09 0.00 0.36 0.00 0.00 54.97 55.47 2r43 s GLU 21 Cb 0.05 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.20 2r43 s GLU 21 CO -0.05 0.64 0.19 0.00 -0.54 0.00 0.00 175.26 175.50 2r43 s ALA 22 N -0.76 -0.34 -0.20 6.30 0.00 0.13 -4.58 121.76 122.32 2r43 s ALA 22 Ca 0.18 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.67 2r43 s ALA 22 Cb -0.14 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2r43 s ALA 22 CO 0.08 -0.35 0.50 -1.17 0.00 0.00 0.00 175.76 174.81 2r43 s LEU 23 N -2.07 4.14 -0.39 0.00 2.96 0.01 -0.84 118.68 122.50 2r43 s LEU 23 Ca -0.05 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.21 2r43 s LEU 23 Cb -0.01 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 44.01 2r43 s LEU 23 CO -0.04 -0.17 1.27 -0.76 -1.32 0.00 0.00 176.35 175.33 2r43 s LEU 24 N 1.62 3.71 -0.29 -0.68 1.43 -0.34 -0.76 118.68 123.37 2r43 s LEU 24 Ca 0.23 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.19 2r43 s LEU 24 Cb -0.15 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.60 2r43 s LEU 24 CO 0.09 -1.24 0.00 -0.62 0.23 0.00 0.00 176.35 174.82 2r43 s ASP 25 N 2.98 4.27 0.20 2.29 -1.08 -0.34 -4.80 116.67 120.20 2r43 s ASP 25 Ca 0.54 -1.62 0.23 0.00 -0.52 0.00 0.00 52.55 51.19 2r43 s ASP 25 Cb -0.12 -1.32 0.91 0.00 -1.46 0.00 0.00 42.92 40.93 2r43 s ASP 25 CO 0.28 -0.31 1.71 0.35 0.52 0.00 0.00 175.17 177.72 2r43 n THR 26 N 4.53 0.74 0.27 1.71 -2.24 -1.26 -2.81 114.28 115.22 2r43 n THR 26 Ca -0.05 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 2r43 n THR 26 Cb 0.43 -0.96 0.16 0.00 -2.10 0.00 0.00 70.33 67.86 2r43 n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2r43 h GLY 27 N 3.01 0.00 -5.79 3.38 0.00 -1.95 -3.46 103.07 98.27 2r43 h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2r43 h GLY 27 CO 0.00 0.00 0.37 0.00 0.00 0.00 0.00 176.54 176.91 2r43 s ALA 28 N -3.23 3.60 0.32 3.60 0.00 -1.12 -4.94 121.76 119.99 2r43 s ALA 28 Ca 0.06 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2r43 s ALA 28 Cb 0.08 -3.20 0.56 0.00 0.00 0.00 0.00 23.12 20.55 2r43 s ALA 28 CO 0.69 -0.80 1.77 -0.44 0.00 0.00 0.00 175.76 176.99 2r43 h ASP 29 N 7.60 0.26 -3.03 0.00 3.32 -1.88 0.31 116.42 123.00 2r43 h ASP 29 Ca -0.26 -0.09 -0.57 0.00 0.02 0.00 0.00 57.03 56.13 2r43 h ASP 29 Cb 1.11 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.43 2r43 h ASP 29 CO 0.84 0.56 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.33 2r43 s ASP 30 N -6.87 3.11 -0.03 6.45 1.01 -1.26 -3.05 116.67 116.02 2r43 s ASP 30 Ca -0.05 -0.94 -0.26 0.00 0.71 0.00 0.00 52.55 52.02 2r43 s ASP 30 Cb 0.14 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 2r43 s ASP 30 CO 0.76 0.00 0.80 -0.89 0.21 0.00 0.00 175.17 176.05 2r43 s THR 31 N -2.23 4.96 -0.07 -1.27 2.01 -1.26 -3.69 115.64 114.09 2r43 s THR 31 Ca 0.22 1.66 -0.00 0.00 0.31 0.00 0.00 61.69 63.88 2r43 s THR 31 Cb -0.05 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.34 2r43 s THR 31 CO 0.10 0.23 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.55 2r43 s VAL 32 N 0.78 0.54 0.24 3.82 1.01 -0.58 -1.14 120.40 125.06 2r43 s VAL 32 Ca 0.42 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.49 2r43 s VAL 32 Cb -0.19 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2r43 s VAL 32 CO 0.22 0.27 -0.19 -0.76 0.00 0.00 0.00 175.10 174.64 2r43 s LEU 33 N 1.58 2.62 1.01 3.92 1.43 0.36 -0.92 118.68 128.69 2r43 s LEU 33 Ca -0.00 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 2r43 s LEU 33 Cb -0.13 -1.24 0.20 0.00 0.03 0.00 0.00 46.19 45.06 2r43 s LEU 33 CO -0.04 0.07 1.10 -1.83 0.23 0.00 0.00 176.35 175.88 2r43 s GLU 34 N -3.15 0.23 0.15 1.70 -1.05 -1.26 -1.78 118.70 113.55 2r43 s GLU 34 Ca 0.26 1.29 -0.34 0.00 -0.15 0.00 0.00 54.97 56.03 2r43 s GLU 34 Cb -0.07 -1.65 -0.15 0.00 -0.44 0.00 0.00 34.13 31.82 2r43 s GLU 34 CO 0.14 -3.09 1.42 0.39 0.95 0.00 0.00 175.26 175.07 2r43 n GLU 35 N -4.52 1.70 -3.60 -4.83 -0.58 -1.20 -4.55 120.64 103.05 2r43 n GLU 35 Ca 0.08 0.61 -0.08 0.00 -0.42 0.00 0.00 57.16 57.36 2r43 n GLU 35 Cb 0.53 -2.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.09 2r43 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r43 s MET 36 N 0.38 1.17 -0.01 3.49 0.23 -1.26 -5.03 119.30 118.28 2r43 s MET 36 Ca 0.78 -0.54 -0.16 0.00 -1.03 0.00 0.00 55.69 54.74 2r43 s MET 36 Cb -0.78 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 32.94 2r43 s MET 36 CO 0.45 -0.53 0.46 0.45 -2.03 0.00 0.00 175.02 173.82 2r43 s SER 37 N -2.73 6.84 0.10 -1.18 0.15 -1.26 -5.02 113.70 110.61 2r43 s SER 37 Ca 0.07 1.00 0.05 0.00 0.70 0.00 0.00 55.95 57.76 2r43 s SER 37 Cb -0.02 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2r43 s SER 37 CO -0.05 0.25 -0.12 -0.76 1.20 0.00 0.00 173.24 173.77 2r43 s LEU 38 N -0.74 2.40 0.49 3.45 1.43 -1.26 -4.94 118.68 119.50 2r43 s LEU 38 Ca 0.25 -0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 2r43 s LEU 38 Cb -0.17 -0.40 -0.08 0.00 0.03 0.00 0.00 46.19 45.57 2r43 s LEU 38 CO 0.14 -0.21 0.99 -2.16 0.23 0.00 0.00 176.35 175.34 2r43 s PRO 39 N -2.67 3.94 0.18 1.29 0.04 -1.26 -4.96 135.00 131.55 2r43 s PRO 39 Ca 0.06 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2r43 s PRO 39 Cb -0.04 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2r43 s PRO 39 CO 0.01 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2r43 n GLY 40 N -1.04 -2.15 3.80 0.56 0.00 -1.26 -4.95 105.19 100.14 2r43 n GLY 40 Ca 0.07 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 2r43 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2r43 s ARG 41 N -0.18 3.51 0.17 1.61 1.04 -1.26 -5.08 118.95 118.75 2r43 s ARG 41 Ca 0.00 1.25 -0.06 0.00 -1.04 0.00 0.00 55.73 55.88 2r43 s ARG 41 Cb 0.00 -2.06 -0.02 0.00 -2.04 0.00 0.00 34.95 30.83 2r43 s ARG 41 CO 0.00 -0.66 0.23 1.67 -0.04 0.00 0.00 175.30 176.50 2r43 s TRP 42 N -2.29 0.59 0.03 5.89 1.48 -1.26 -4.41 118.94 118.97 2r43 s TRP 42 Ca 0.65 -0.94 -0.03 0.00 -1.06 0.00 0.00 56.10 54.72 2r43 s TRP 42 Cb -0.16 -0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 2r43 s TRP 42 CO 0.31 -0.69 0.03 -1.59 -4.06 0.00 0.00 176.95 170.95 2r43 s LYS 43 N -4.01 0.48 0.48 3.25 -2.85 -0.98 -4.93 119.74 111.18 2r43 s LYS 43 Ca 0.22 -0.74 -0.19 0.00 -1.00 0.00 0.00 55.97 54.26 2r43 s LYS 43 Cb 0.04 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.90 2r43 s LYS 43 CO 0.03 -0.10 0.98 -1.25 0.10 0.00 0.00 175.35 175.10 2r43 s PRO 44 N -2.27 4.02 0.04 1.78 0.04 -1.26 -0.46 135.00 136.88 2r43 s PRO 44 Ca -0.08 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.98 2r43 s PRO 44 Cb -0.04 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2r43 s PRO 44 CO -0.03 -0.22 0.19 0.21 0.04 0.00 0.00 177.00 177.18 2r43 s LYS 45 N -3.53 0.67 -0.10 4.56 2.20 -0.48 -4.87 119.74 118.20 2r43 s LYS 45 Ca 0.62 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2r43 s LYS 45 Cb -0.11 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2r43 s LYS 45 CO 0.21 -0.19 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.25 2r43 s MET 46 N -2.49 3.04 0.10 4.03 -1.94 -1.26 -0.81 119.30 119.97 2r43 s MET 46 Ca -0.06 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 2r43 s MET 46 Cb -0.01 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 2r43 s MET 46 CO -0.04 0.39 -0.14 0.96 -0.01 0.00 0.00 175.02 176.19 2r43 s ILE 47 N -0.11 1.18 0.19 2.53 -4.36 -0.51 -4.97 121.20 115.16 2r43 s ILE 47 Ca -0.01 -1.53 -0.20 0.00 -0.26 0.00 0.00 60.65 58.64 2r43 s ILE 47 Cb -0.14 -1.31 0.04 0.00 1.25 0.00 0.00 42.46 42.30 2r43 s ILE 47 CO 0.03 -0.36 0.59 -0.83 0.24 0.00 0.00 174.94 174.62 2r43 s GLY 48 N -2.15 -0.32 0.00 6.27 0.00 -1.26 -0.38 107.32 109.48 2r43 s GLY 48 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2r43 s GLY 48 CO 0.02 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.68 2r43 n GLY 49 N -0.38 2.97 3.78 0.20 0.00 -0.66 -4.96 105.19 106.14 2r43 n GLY 49 Ca -0.12 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2r43 n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r43 s VAL 50 N -1.30 2.25 0.00 1.61 -7.23 -1.26 -1.45 120.40 113.02 2r43 s VAL 50 Ca 0.00 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 2r43 s VAL 50 Cb 0.00 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2r43 s VAL 50 CO 0.00 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 2r43 n GLY 51 N 0.57 2.01 0.00 2.32 0.00 -1.26 -4.94 105.19 103.89 2r43 n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2r43 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r43 n GLY 52 N -2.00 -0.70 3.71 -0.02 0.00 -0.53 -5.05 105.19 100.59 2r43 n GLY 52 Ca 0.00 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 2r43 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r43 s PHE 53 N 0.00 2.94 0.10 1.61 0.40 -1.26 -1.65 117.98 120.12 2r43 s PHE 53 Ca 0.00 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2r43 s PHE 53 Cb 0.00 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 2r43 s PHE 53 CO 0.00 0.52 -0.16 0.96 0.70 0.00 0.00 175.22 177.24 2r43 s ILE 54 N -1.75 1.40 -0.07 0.64 -4.36 0.49 -4.97 121.20 112.58 2r43 s ILE 54 Ca 0.29 -1.55 -0.21 0.00 -0.26 0.00 0.00 60.65 58.91 2r43 s ILE 54 Cb -0.09 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.16 2r43 s ILE 54 CO 0.20 -0.25 0.62 -0.75 0.24 0.00 0.00 174.94 175.00 2r43 s LYS 55 N -2.17 4.39 0.23 0.37 2.20 -1.26 -1.42 119.74 122.08 2r43 s LYS 55 Ca 0.05 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.44 2r43 s LYS 55 Cb -0.08 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2r43 s LYS 55 CO 0.03 0.15 -0.03 0.14 -0.36 0.00 0.00 175.35 175.28 2r43 s VAL 56 N 0.56 1.19 -0.19 4.02 -7.23 0.01 -4.45 120.40 114.31 2r43 s VAL 56 Ca 0.33 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2r43 s VAL 56 Cb -0.17 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2r43 s VAL 56 CO 0.16 -0.39 0.09 -0.13 -0.31 0.00 0.00 175.10 174.52 2r43 s ARG 57 N -3.81 4.04 -0.32 4.82 0.52 -0.10 -1.38 118.95 122.73 2r43 s ARG 57 Ca 0.27 -0.30 -0.13 0.00 -0.52 0.00 0.00 55.73 55.05 2r43 s ARG 57 Cb 0.05 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 2r43 s ARG 57 CO 0.08 0.25 0.26 -1.14 0.02 0.00 0.00 175.30 174.78 2r43 s GLN 58 N 0.45 3.68 -0.15 3.54 0.74 0.39 -0.98 119.66 127.35 2r43 s GLN 58 Ca 0.05 -0.44 -0.03 0.00 0.05 0.00 0.00 55.36 54.98 2r43 s GLN 58 Cb -0.12 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2r43 s GLN 58 CO -0.00 -0.37 -0.05 0.71 -0.55 0.00 0.00 175.29 175.03 2r43 s TYR 59 N 1.83 3.00 0.29 1.67 1.51 -0.13 -2.31 117.35 123.21 2r43 s TYR 59 Ca 0.08 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.90 2r43 s TYR 59 Cb -0.17 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2r43 s TYR 59 CO 0.11 -0.03 0.33 -0.51 -1.11 0.00 0.00 175.55 174.34 2r43 s ASP 60 N 0.29 5.79 -1.25 2.29 1.01 -1.26 -0.81 116.67 122.73 2r43 s ASP 60 Ca -0.04 -0.21 -0.00 0.00 0.71 0.00 0.00 52.55 53.01 2r43 s ASP 60 Cb -0.14 -1.38 -0.00 0.00 1.01 0.00 0.00 42.92 42.41 2r43 s ASP 60 CO 0.03 -0.22 0.85 0.00 0.21 0.00 0.00 175.17 176.04 2r43 n GLN 61 N -1.40 -5.60 -4.05 8.23 6.02 -1.19 -4.90 117.38 114.49 2r43 n GLN 61 Ca -0.05 0.73 -0.36 0.00 -0.01 0.00 0.00 57.00 57.32 2r43 n GLN 61 Cb 0.58 -5.51 -0.08 0.00 1.02 0.00 0.00 30.24 26.26 2r43 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2r43 s ILE 62 N -3.52 5.00 0.01 5.09 -1.09 -0.16 -4.83 121.20 121.71 2r43 s ILE 62 Ca 0.02 0.02 -0.23 0.00 -2.23 0.00 0.00 60.65 58.23 2r43 s ILE 62 Cb -0.00 -3.18 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 2r43 s ILE 62 CO 0.77 0.58 0.71 -0.76 -1.23 0.00 0.00 174.94 175.01 2r43 s LEU 63 N -0.67 4.41 0.01 2.97 1.43 -1.26 -1.48 118.68 124.09 2r43 s LEU 63 Ca 0.12 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 2r43 s LEU 63 Cb -0.12 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 2r43 s LEU 63 CO 0.02 0.01 0.01 -0.51 0.23 0.00 0.00 176.35 176.11 2r43 s ILE 64 N 0.08 0.09 -0.12 -0.59 2.07 0.11 -4.54 121.20 118.29 2r43 s ILE 64 Ca 0.36 -0.71 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2r43 s ILE 64 Cb -0.19 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 2r43 s ILE 64 CO 0.21 -0.39 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.13 2r43 s GLU 65 N -1.19 3.29 -0.25 3.50 2.02 -0.21 -0.26 118.70 125.60 2r43 s GLU 65 Ca -0.13 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.24 2r43 s GLU 65 Cb -0.08 -2.66 0.07 0.00 0.10 0.00 0.00 34.13 31.56 2r43 s GLU 65 CO -0.00 0.31 -0.05 0.42 0.02 0.00 0.00 175.26 175.96 2r43 s ILE 66 N 0.11 1.67 -1.47 -1.63 1.01 -0.00 -0.83 121.20 120.06 2r43 s ILE 66 Ca -0.05 -1.40 -0.11 0.00 0.00 0.00 0.00 60.65 59.09 2r43 s ILE 66 Cb -0.14 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.43 2r43 s ILE 66 CO 0.04 -0.16 0.98 0.00 0.00 0.00 0.00 174.94 175.80 2r43 n GLY 68 N -1.74 2.33 3.64 0.00 0.00 -1.26 -5.03 105.19 103.12 2r43 n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2r43 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r43 s HIS 69 N -2.27 3.28 0.25 1.61 4.02 0.25 -5.07 115.29 117.35 2r43 s HIS 69 Ca 0.00 0.11 -0.28 0.00 1.02 0.00 0.00 55.06 55.91 2r43 s HIS 69 Cb 0.00 -2.16 -0.09 0.00 -1.02 0.00 0.00 32.58 29.31 2r43 s HIS 69 CO 0.00 0.10 0.91 0.15 1.02 0.00 0.00 174.74 176.92 2r43 s LYS 70 N 0.68 4.74 0.15 1.40 1.02 -1.26 -0.82 119.74 125.65 2r43 s LYS 70 Ca 0.05 1.39 -0.14 0.00 0.02 0.00 0.00 55.97 57.29 2r43 s LYS 70 Cb -0.13 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2r43 s LYS 70 CO 0.01 0.47 0.40 0.00 -0.92 0.00 0.00 175.35 175.31 2r43 s ALA 71 N -1.28 -0.69 0.00 5.17 0.00 0.64 -4.84 121.76 120.77 2r43 s ALA 71 Ca 0.42 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2r43 s ALA 71 Cb -0.24 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2r43 s ALA 71 CO 0.29 -0.68 -0.14 -1.50 0.00 0.00 0.00 175.76 173.73 2r43 s ILE 72 N -3.86 1.12 -1.37 0.00 2.07 -1.26 -0.72 121.20 117.18 2r43 s ILE 72 Ca 0.08 -0.71 0.00 0.00 -1.41 0.00 0.00 60.65 58.61 2r43 s ILE 72 Cb 0.02 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2r43 s ILE 72 CO -0.07 0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 2r43 n GLY 73 N 2.51 -1.35 3.74 1.50 0.00 -0.55 -4.92 105.19 106.11 2r43 n GLY 73 Ca -0.15 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2r43 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r43 s THR 74 N -2.79 3.96 -0.07 2.61 2.01 -1.26 -0.99 115.64 119.11 2r43 s THR 74 Ca 0.00 1.71 0.03 0.00 0.31 0.00 0.00 61.69 63.74 2r43 s THR 74 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.43 2r43 s THR 74 CO 0.00 0.30 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.38 2r43 s VAL 75 N -0.32 1.41 -0.13 3.82 1.01 0.01 -4.47 120.40 121.73 2r43 s VAL 75 Ca 0.48 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2r43 s VAL 75 Cb -0.28 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2r43 s VAL 75 CO 0.34 0.42 0.15 -0.76 0.00 0.00 0.00 175.10 175.25 2r43 s LEU 76 N 0.49 4.36 -0.08 3.92 1.43 -0.29 -0.95 118.68 127.57 2r43 s LEU 76 Ca -0.14 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2r43 s LEU 76 Cb -0.16 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2r43 s LEU 76 CO 0.05 0.37 -0.15 -0.69 0.23 0.00 0.00 176.35 176.16 2r43 s VAL 77 N -0.80 1.35 -0.59 -1.59 1.01 -0.15 -0.49 120.40 119.14 2r43 s VAL 77 Ca 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2r43 s VAL 77 Cb -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2r43 s VAL 77 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2r43 n GLY 78 N 3.82 -1.26 2.27 4.51 0.00 -0.73 -0.92 105.19 112.88 2r43 n GLY 78 Ca -0.22 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 2r43 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r43 n PRO 79 N -0.01 2.74 -2.98 1.61 -0.04 -1.26 -3.22 135.00 131.84 2r43 n PRO 79 Ca 0.00 -1.60 -0.39 0.00 -0.04 0.00 0.00 63.50 61.47 2r43 n PRO 79 Cb 0.00 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 2r43 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r43 s THR 80 N 2.04 4.38 -1.07 0.52 -1.32 -1.26 -4.95 115.64 113.98 2r43 s THR 80 Ca 0.61 1.64 0.24 0.00 -1.21 0.00 0.00 61.69 62.98 2r43 s THR 80 Cb 0.20 -4.08 0.24 0.00 -1.51 0.00 0.00 72.50 67.35 2r43 s THR 80 CO -0.03 0.43 1.78 -0.81 -2.21 0.00 0.00 174.62 173.78 2r43 n PRO 81 N 1.34 0.06 -3.77 7.08 -0.04 -1.26 -4.65 135.00 133.76 2r43 n PRO 81 Ca -0.04 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2r43 n PRO 81 Cb 0.49 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 2r43 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2r43 s VAL 82 N -2.93 0.01 0.04 0.52 0.11 -1.26 -5.10 120.40 111.78 2r43 s VAL 82 Ca 0.14 -0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 2r43 s VAL 82 Cb 0.16 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.52 2r43 s VAL 82 CO 0.43 -0.04 1.32 0.20 -3.33 0.00 0.00 175.10 173.69 2r43 s ASN 83 N -0.03 6.93 -0.14 3.54 0.01 -1.26 -4.72 114.94 119.26 2r43 s ASN 83 Ca -0.02 2.10 0.02 0.00 -0.71 0.00 0.00 52.86 54.26 2r43 s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2r43 s ASN 83 CO 0.01 -0.62 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.13 2r43 s ILE 84 N 1.73 1.99 -0.37 0.60 -1.09 -0.09 -0.81 121.20 123.17 2r43 s ILE 84 Ca 0.62 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.93 2r43 s ILE 84 Cb -0.31 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.80 2r43 s ILE 84 CO 0.27 0.54 0.44 -0.63 -1.23 0.00 0.00 174.94 174.34 2r43 s ILE 85 N 0.88 5.08 0.68 2.92 -1.09 0.06 -1.53 121.20 128.20 2r43 s ILE 85 Ca -0.06 0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 2r43 s ILE 85 Cb -0.15 -3.94 0.12 0.00 -1.58 0.00 0.00 42.46 36.91 2r43 s ILE 85 CO -0.03 -0.24 0.94 -0.83 -1.23 0.00 0.00 174.94 173.55 2r43 s GLY 86 N 1.77 1.74 0.49 6.18 0.00 -1.24 -1.19 107.32 115.07 2r43 s GLY 86 Ca 0.15 -1.92 0.15 0.00 0.00 0.00 0.00 44.72 43.10 2r43 s GLY 86 CO 0.13 -1.37 2.09 3.21 0.00 0.00 0.00 173.10 177.16 2r43 h ARG 87 N -0.31 0.01 -0.01 2.90 3.08 -0.99 -0.91 114.38 118.14 2r43 h ARG 87 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2r43 h ARG 87 Cb 1.27 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2r43 h ARG 87 CO 0.39 0.08 0.01 -2.95 -1.07 0.00 0.00 179.97 176.43 2r43 h ASN 88 N 0.01 0.00 0.00 7.04 -1.07 -1.80 -1.99 115.58 117.77 2r43 h ASN 88 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 2r43 h ASN 88 Cb 0.13 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.32 2r43 h ASN 88 CO 0.01 0.00 -2.17 0.18 0.07 0.00 0.00 177.43 175.52 2r43 n LEU 89 N -4.27 0.16 -0.11 6.14 4.77 -0.72 -4.45 117.00 118.50 2r43 n LEU 89 Ca -0.03 -0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.04 2r43 n LEU 89 Cb 0.10 0.36 0.44 0.00 -2.33 0.00 0.00 43.42 41.98 2r43 n LEU 89 CO 0.32 0.44 1.20 -0.07 -1.33 0.00 0.00 177.39 177.94 2r43 h LEU 90 N 0.00 0.49 -1.09 2.23 3.38 -0.98 -1.77 115.31 117.58 2r43 h LEU 90 Ca -0.46 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2r43 h LEU 90 Cb 2.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 2r43 h LEU 90 CO 0.02 0.31 0.19 0.71 0.09 0.00 0.00 178.44 179.76 2r43 h THR 91 N 0.56 1.22 0.00 0.22 1.35 -1.58 -1.96 112.91 112.71 2r43 h THR 91 Ca 0.28 -0.72 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 2r43 h THR 91 Cb 0.38 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2r43 h THR 91 CO -0.09 0.28 -0.25 1.56 -0.25 0.00 0.00 175.52 176.77 2r43 h GLN 92 N 0.82 0.00 -0.46 4.72 1.08 -1.55 -2.04 115.11 117.68 2r43 h GLN 92 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2r43 h GLN 92 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2r43 h GLN 92 CO -0.01 0.25 0.00 0.44 -0.95 0.00 0.00 178.83 178.56 2r43 n ILE 93 N -3.51 0.60 -2.14 2.54 -5.35 -1.09 -4.95 119.36 105.45 2r43 n ILE 93 Ca -0.00 -0.73 -0.07 0.00 -0.27 0.00 0.00 62.75 61.67 2r43 n ILE 93 Cb 0.41 0.68 -0.00 0.00 -1.74 0.00 0.00 39.64 38.98 2r43 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r43 n GLY 94 N 1.46 0.09 3.71 3.28 0.00 -0.77 -5.01 105.19 107.95 2r43 n GLY 94 Ca 0.20 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2r43 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r43 s THR 96 N 1.06 1.45 0.03 0.00 -4.23 -1.26 -4.73 115.64 107.96 2r43 s THR 96 Ca 0.55 -1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 2r43 s THR 96 Cb -0.24 -1.77 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 2r43 s THR 96 CO 0.28 -0.53 0.57 -0.76 -0.54 0.00 0.00 174.62 173.64 2r43 s LEU 97 N -2.86 4.47 -0.03 4.79 1.43 -1.26 -5.10 118.68 120.12 2r43 s LEU 97 Ca 0.15 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2r43 s LEU 97 Cb -0.02 -2.88 0.03 0.00 0.03 0.00 0.00 46.19 43.34 2r43 s LEU 97 CO 0.04 0.20 0.06 0.20 0.23 0.00 0.00 176.35 177.08 2r43 s ASN 98 N -0.66 -0.00 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.15 2r43 s ASN 98 Ca 0.29 0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.70 2r43 s ASN 98 Cb -0.19 0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 2r43 s ASN 98 CO 0.18 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.81