#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odx s GLN 2 N 0.00 3.06 -0.16 -0.52 0.74 -1.26 -5.11 119.66 116.41 1odx s GLN 2 Ca 0.00 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.61 1odx s GLN 2 Cb 0.00 -2.54 0.02 0.00 1.10 0.00 0.00 33.01 31.59 1odx s GLN 2 CO 0.00 -0.08 -0.21 0.42 -0.55 0.00 0.00 175.29 174.87 1odx s ILE 3 N 1.00 2.05 0.48 -2.34 1.01 -1.26 -5.13 121.20 117.02 1odx s ILE 3 Ca -0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1odx s ILE 3 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1odx s ILE 3 CO -0.05 0.54 0.77 0.42 0.00 0.00 0.00 174.94 176.62 1odx s THR 4 N 1.10 4.68 -1.64 2.92 -4.23 -1.26 -5.03 115.64 112.18 1odx s THR 4 Ca 0.00 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 60.77 1odx s THR 4 Cb -0.14 -3.78 0.66 0.00 1.34 0.00 0.00 72.50 70.58 1odx s THR 4 CO -0.08 -0.73 1.56 0.18 -0.54 0.00 0.00 174.62 175.01 1odx n LEU 5 N -2.25 4.19 0.26 4.79 4.77 -1.26 -4.30 117.00 123.21 1odx n LEU 5 Ca 0.01 -2.16 0.09 0.00 -0.03 0.00 0.00 56.01 53.92 1odx n LEU 5 Cb 0.56 -0.51 0.67 0.00 -2.33 0.00 0.00 43.42 41.80 1odx n LEU 5 CO 0.52 0.92 1.07 -0.50 -1.33 0.00 0.00 177.39 178.08 1odx h TRP 6 N 4.12 0.00 -2.70 -1.77 4.06 -2.07 -3.43 115.95 114.17 1odx h TRP 6 Ca 0.00 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.46 1odx h TRP 6 Cb 1.14 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.16 1odx h TRP 6 CO 0.57 0.00 -0.72 -0.65 -3.56 0.00 0.00 178.44 174.09 1odx s GLN 7 N -5.01 1.45 0.22 0.49 -0.21 -1.26 -5.10 119.66 110.24 1odx s GLN 7 Ca -0.05 -1.68 -0.32 0.00 0.02 0.00 0.00 55.36 53.33 1odx s GLN 7 Cb 0.17 -1.23 -0.12 0.00 1.00 0.00 0.00 33.01 32.83 1odx s GLN 7 CO 0.66 0.16 1.63 0.54 -2.12 0.00 0.00 175.29 176.15 1odx n ARG 8 N -0.48 2.55 -2.51 2.91 1.74 -1.26 -4.84 116.66 114.76 1odx n ARG 8 Ca -0.07 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 1odx n ARG 8 Cb 0.61 -2.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.33 1odx n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1odx s PRO 9 N 0.52 3.73 0.00 5.56 0.05 -1.26 -4.97 135.00 138.63 1odx s PRO 9 Ca 0.72 -1.70 -0.17 0.00 0.05 0.00 0.00 61.00 59.91 1odx s PRO 9 Cb -0.55 -5.46 -0.06 0.00 0.05 0.00 0.00 34.50 28.48 1odx s PRO 9 CO 0.39 -2.44 0.47 -0.51 0.05 0.00 0.00 177.00 174.96 1odx s LEU 10 N 5.18 4.46 0.11 -3.56 1.43 -1.26 -0.92 118.68 124.12 1odx s LEU 10 Ca 0.54 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 1odx s LEU 10 Cb 0.02 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1odx s LEU 10 CO 0.05 0.26 -0.08 0.54 0.23 0.00 0.00 176.35 177.34 1odx s VAL 11 N -0.83 0.87 -0.06 -1.59 0.11 0.21 -4.93 120.40 114.19 1odx s VAL 11 Ca 0.26 -1.85 -0.23 0.00 -2.93 0.00 0.00 61.98 57.23 1odx s VAL 11 Cb -0.17 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1odx s VAL 11 CO 0.15 -0.74 0.69 -0.89 -3.33 0.00 0.00 175.10 170.98 1odx s THR 12 N -3.13 5.03 0.28 5.04 2.01 -1.26 -0.68 115.64 122.93 1odx s THR 12 Ca 0.10 1.42 0.11 0.00 0.31 0.00 0.00 61.69 63.64 1odx s THR 12 Cb 0.02 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1odx s THR 12 CO -0.02 0.27 -0.18 0.27 -0.69 0.00 0.00 174.62 174.27 1odx s ILE 13 N 0.68 2.38 -0.10 1.82 -4.36 0.74 -2.48 121.20 119.88 1odx s ILE 13 Ca 0.37 -2.36 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1odx s ILE 13 Cb -0.18 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1odx s ILE 13 CO 0.18 -0.39 -0.16 -0.75 0.24 0.00 0.00 174.94 174.06 1odx s LYS 14 N -3.54 2.24 -0.09 0.37 2.20 -0.88 -0.39 119.74 119.66 1odx s LYS 14 Ca 0.30 -0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 1odx s LYS 14 Cb -0.04 -1.87 0.03 0.00 -1.51 0.00 0.00 37.83 34.45 1odx s LYS 14 CO 0.14 -0.03 0.23 0.42 -0.36 0.00 0.00 175.35 175.76 1odx s ILE 15 N 0.88 -0.02 -1.30 5.43 1.09 -0.61 -2.18 121.20 124.49 1odx s ILE 15 Ca -0.09 0.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.52 1odx s ILE 15 Cb -0.15 -0.35 0.00 0.00 -1.06 0.00 0.00 42.46 40.90 1odx s ILE 15 CO 0.00 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 1odx n GLY 16 N 3.49 -0.43 2.42 6.18 0.00 -1.26 -1.38 105.19 114.20 1odx n GLY 16 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1odx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1odx n GLY 17 N -0.85 0.90 3.62 -0.02 0.00 -1.26 -5.02 105.19 102.56 1odx n GLY 17 Ca -0.18 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1odx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1odx s GLN 18 N -2.32 2.80 -0.13 1.61 -0.21 -0.48 -5.12 119.66 115.81 1odx s GLN 18 Ca 0.00 -0.53 -0.18 0.00 0.02 0.00 0.00 55.36 54.67 1odx s GLN 18 Cb 0.00 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 1odx s GLN 18 CO 0.00 0.67 0.49 -0.51 -2.12 0.00 0.00 175.29 173.81 1odx s LEU 19 N -0.94 4.26 0.13 2.90 2.01 -1.26 -1.57 118.68 124.20 1odx s LEU 19 Ca 0.14 0.80 -0.01 0.00 0.01 0.00 0.00 54.13 55.06 1odx s LEU 19 Cb -0.11 -2.70 -0.04 0.00 0.01 0.00 0.00 46.19 43.35 1odx s LEU 19 CO 0.03 -0.03 0.05 -0.54 1.01 0.00 0.00 176.35 176.87 1odx s LYS 20 N 0.78 0.93 -0.02 1.70 1.02 0.48 -4.99 119.74 119.64 1odx s LYS 20 Ca 0.26 -1.44 0.03 0.00 0.02 0.00 0.00 55.97 54.84 1odx s LYS 20 Cb -0.15 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1odx s LYS 20 CO 0.10 -0.25 -0.10 -2.00 -0.92 0.00 0.00 175.35 172.18 1odx s GLU 21 N -4.04 2.53 0.05 1.68 2.12 -1.26 -0.18 118.70 119.59 1odx s GLU 21 Ca 0.24 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1odx s GLU 21 Cb 0.07 -2.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 1odx s GLU 21 CO 0.02 0.62 0.06 0.00 -0.54 0.00 0.00 175.26 175.41 1odx s ALA 22 N -0.88 0.10 0.00 6.30 0.00 0.15 -4.62 121.76 122.82 1odx s ALA 22 Ca 0.14 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 1odx s ALA 22 Cb -0.11 0.29 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 1odx s ALA 22 CO 0.04 -0.36 0.54 -0.51 0.00 0.00 0.00 175.76 175.48 1odx s LEU 23 N -2.45 4.44 -0.37 0.00 1.43 -0.50 0.68 118.68 121.91 1odx s LEU 23 Ca -0.00 1.12 -0.28 0.00 -1.03 0.00 0.00 54.13 53.94 1odx s LEU 23 Cb 0.02 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1odx s LEU 23 CO -0.07 0.17 1.03 -0.76 0.23 0.00 0.00 176.35 176.95 1odx s LEU 24 N -0.49 3.90 -0.42 1.79 1.02 -0.09 -0.86 118.68 123.53 1odx s LEU 24 Ca 0.29 0.75 0.03 0.00 0.02 0.00 0.00 54.13 55.22 1odx s LEU 24 Cb -0.18 -3.43 0.11 0.00 0.02 0.00 0.00 46.19 42.71 1odx s LEU 24 CO 0.16 -0.94 0.15 -0.62 0.02 0.00 0.00 176.35 175.12 1odx s ASP 25 N 1.90 4.43 0.48 2.29 -1.08 -0.48 -4.79 116.67 119.41 1odx s ASP 25 Ca 0.43 -2.50 0.32 0.00 -0.52 0.00 0.00 52.55 50.28 1odx s ASP 25 Cb -0.11 -1.52 1.39 0.00 -1.46 0.00 0.00 42.92 41.22 1odx s ASP 25 CO 0.20 -0.31 1.95 0.71 0.52 0.00 0.00 175.17 178.23 1odx h THR 26 N 6.04 0.00 -0.00 1.71 1.35 -1.94 -2.64 112.91 117.43 1odx h THR 26 Ca -0.06 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1odx h THR 26 Cb 0.96 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1odx h THR 26 CO 0.58 0.00 -0.28 0.61 -0.25 0.00 0.00 175.52 176.18 1odx n GLY 27 N -0.16 -1.28 3.60 5.82 0.00 -1.26 -4.80 105.19 107.10 1odx n GLY 27 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1odx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1odx s ALA 28 N -2.93 3.40 0.30 4.61 0.00 -1.00 -4.98 121.76 121.16 1odx s ALA 28 Ca 0.14 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1odx s ALA 28 Cb 0.18 -2.06 0.47 0.00 0.00 0.00 0.00 23.12 21.71 1odx s ALA 28 CO 0.61 -0.08 1.73 -0.44 0.00 0.00 0.00 175.76 177.59 1odx h ASP 29 N 7.28 0.37 -1.77 0.00 3.32 -1.87 1.69 116.42 125.44 1odx h ASP 29 Ca -0.37 -0.13 -0.60 0.00 0.02 0.00 0.00 57.03 55.95 1odx h ASP 29 Cb 1.17 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.51 1odx h ASP 29 CO 0.66 0.66 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.44 1odx s ASP 30 N -6.85 4.12 -0.16 6.45 1.01 -1.26 -2.29 116.67 117.69 1odx s ASP 30 Ca -0.06 -1.14 -0.08 0.00 0.71 0.00 0.00 52.55 51.99 1odx s ASP 30 Cb 0.14 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1odx s ASP 30 CO 0.78 -0.37 0.10 -0.89 0.21 0.00 0.00 175.17 175.00 1odx s THR 31 N -2.60 5.18 -0.12 -1.27 2.01 -1.26 -2.95 115.64 114.62 1odx s THR 31 Ca 0.36 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.40 1odx s THR 31 Cb 0.04 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.30 1odx s THR 31 CO 0.20 0.52 0.28 0.54 -0.69 0.00 0.00 174.62 175.46 1odx s VAL 32 N -0.20 -0.16 0.14 3.82 0.11 -0.26 -1.97 120.40 121.89 1odx s VAL 32 Ca 0.09 0.18 0.10 0.00 -2.93 0.00 0.00 61.98 59.42 1odx s VAL 32 Cb -0.12 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1odx s VAL 32 CO 0.01 0.07 -0.24 -0.76 -3.33 0.00 0.00 175.10 170.85 1odx s LEU 33 N 1.63 2.34 1.06 2.54 1.43 -0.31 -0.54 118.68 126.83 1odx s LEU 33 Ca -0.06 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.12 1odx s LEU 33 Cb -0.11 -1.10 0.11 0.00 0.03 0.00 0.00 46.19 45.12 1odx s LEU 33 CO -0.09 0.12 0.36 1.21 0.23 0.00 0.00 176.35 178.18 1odx n GLU 34 N 0.79 -1.19 -1.67 1.70 0.00 -1.25 -1.67 120.64 117.36 1odx n GLU 34 Ca -0.17 -0.32 -0.45 0.00 0.00 0.00 0.00 57.16 56.22 1odx n GLU 34 Cb 0.54 -1.86 -0.04 0.00 0.00 0.00 0.00 31.44 30.08 1odx n GLU 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1odx n GLU 35 N -2.49 2.48 -3.90 5.31 -0.58 -1.06 -4.51 120.64 115.90 1odx n GLU 35 Ca 0.04 0.90 -0.09 0.00 -0.42 0.00 0.00 57.16 57.58 1odx n GLU 35 Cb 0.57 -2.84 -0.06 0.00 -0.57 0.00 0.00 31.44 28.54 1odx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1odx s MET 36 N 4.40 1.17 -0.44 3.49 0.23 -1.26 -5.06 119.30 121.82 1odx s MET 36 Ca 0.92 -1.08 -0.19 0.00 -1.03 0.00 0.00 55.69 54.31 1odx s MET 36 Cb -0.56 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.17 1odx s MET 36 CO 0.47 -0.44 0.54 0.45 -2.03 0.00 0.00 175.02 174.00 1odx s SER 37 N -2.94 6.24 -0.00 -1.18 0.15 -1.26 -5.03 113.70 109.69 1odx s SER 37 Ca 0.14 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 56.22 1odx s SER 37 Cb 0.03 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1odx s SER 37 CO -0.02 -0.70 -0.14 -0.22 1.20 0.00 0.00 173.24 173.36 1odx s LEU 38 N 2.44 2.05 0.31 3.45 2.96 -1.26 -4.95 118.68 123.68 1odx s LEU 38 Ca 0.16 -0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 1odx s LEU 38 Cb -0.17 -0.70 -0.07 0.00 0.50 0.00 0.00 46.19 45.75 1odx s LEU 38 CO 0.15 0.15 0.66 -2.16 -1.32 0.00 0.00 176.35 173.83 1odx s PRO 39 N -0.48 3.84 0.00 0.98 0.04 -1.26 -5.01 135.00 133.11 1odx s PRO 39 Ca 0.05 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1odx s PRO 39 Cb -0.06 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1odx s PRO 39 CO -0.00 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1odx n GLY 40 N -0.57 -1.88 3.89 0.56 0.00 -1.26 -5.04 105.19 100.89 1odx n GLY 40 Ca 0.02 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1odx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1odx s ARG 41 N -0.47 3.67 0.27 1.61 3.00 -1.26 -5.09 118.95 120.68 1odx s ARG 41 Ca 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 55.73 56.08 1odx s ARG 41 Cb 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 34.95 32.62 1odx s ARG 41 CO 0.00 -0.19 0.42 1.67 0.00 0.00 0.00 175.30 177.20 1odx s TRP 42 N -2.65 0.72 -0.01 -0.53 1.48 -1.26 -4.64 118.94 112.05 1odx s TRP 42 Ca 0.51 -1.02 0.01 0.00 -1.06 0.00 0.00 56.10 54.54 1odx s TRP 42 Cb -0.10 -0.01 -0.00 0.00 -1.16 0.00 0.00 33.47 32.19 1odx s TRP 42 CO 0.40 -0.99 -0.05 0.15 -4.06 0.00 0.00 176.95 172.40 1odx s LYS 43 N -3.71 0.43 0.59 3.25 1.02 -0.54 -4.89 119.74 115.89 1odx s LYS 43 Ca 0.28 -0.16 -0.19 0.00 0.02 0.00 0.00 55.97 55.91 1odx s LYS 43 Cb 0.01 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 1odx s LYS 43 CO 0.13 0.08 1.26 -1.25 -0.92 0.00 0.00 175.35 174.66 1odx s PRO 44 N 0.02 2.91 -0.23 -1.68 0.04 -1.26 -0.47 135.00 134.32 1odx s PRO 44 Ca 0.00 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 1odx s PRO 44 Cb -0.03 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1odx s PRO 44 CO -0.00 -1.30 0.97 0.21 0.04 0.00 0.00 177.00 176.92 1odx s LYS 45 N -3.23 0.59 -0.11 4.56 2.20 -0.55 -4.83 119.74 118.38 1odx s LYS 45 Ca 0.77 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 1odx s LYS 45 Cb -0.35 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.24 1odx s LYS 45 CO 0.38 -0.11 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.51 1odx s MET 46 N -0.19 3.13 0.23 4.03 -1.94 -1.26 -0.35 119.30 122.94 1odx s MET 46 Ca 0.01 -0.64 0.10 0.00 -1.71 0.00 0.00 55.69 53.45 1odx s MET 46 Cb -0.04 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 1odx s MET 46 CO -0.02 0.38 -0.14 0.96 -0.01 0.00 0.00 175.02 176.19 1odx s ILE 47 N -0.08 2.88 -0.06 2.53 -4.36 -0.00 -4.96 121.20 117.14 1odx s ILE 47 Ca -0.01 -1.98 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 1odx s ILE 47 Cb -0.14 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 1odx s ILE 47 CO 0.03 -0.24 -0.18 -0.83 0.24 0.00 0.00 174.94 173.97 1odx s GLY 48 N -3.13 1.45 0.00 6.27 0.00 -1.26 -1.76 107.32 108.88 1odx s GLY 48 Ca 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1odx s GLY 48 CO 0.15 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.19 1odx n GLY 49 N 2.65 4.41 3.71 0.20 0.00 -0.69 -5.00 105.19 110.46 1odx n GLY 49 Ca -0.17 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1odx n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1odx s ILE 50 N -1.64 4.94 0.00 -0.61 1.09 -1.26 -3.25 121.20 120.47 1odx s ILE 50 Ca 0.00 1.80 0.00 0.00 -1.10 0.00 0.00 60.65 61.35 1odx s ILE 50 Cb 0.00 -4.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.20 1odx s ILE 50 CO 0.00 0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.64 1odx n GLY 51 N 3.01 3.18 0.00 6.18 0.00 -1.26 -4.98 105.19 111.32 1odx n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1odx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1odx n GLY 52 N -1.62 0.83 3.72 -0.02 0.00 -1.20 -5.11 105.19 101.80 1odx n GLY 52 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1odx n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1odx s PHE 53 N -1.76 3.05 0.07 1.61 -0.71 -1.26 -1.70 117.98 117.27 1odx s PHE 53 Ca 0.00 -0.01 0.06 0.00 -1.04 0.00 0.00 56.93 55.94 1odx s PHE 53 Cb 0.00 -1.53 -0.03 0.00 -1.21 0.00 0.00 43.02 40.25 1odx s PHE 53 CO 0.00 0.50 -0.17 0.96 -1.34 0.00 0.00 175.22 175.17 1odx s ILE 54 N -1.45 1.40 -0.12 -4.49 -4.36 -0.72 -4.95 121.20 106.50 1odx s ILE 54 Ca 0.28 -1.31 -0.17 0.00 -0.26 0.00 0.00 60.65 59.19 1odx s ILE 54 Cb -0.11 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 1odx s ILE 54 CO 0.20 -0.06 0.42 -0.54 0.24 0.00 0.00 174.94 175.20 1odx s LYS 55 N -1.59 4.28 0.28 0.37 1.02 -1.26 -0.82 119.74 122.02 1odx s LYS 55 Ca 0.03 0.35 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1odx s LYS 55 Cb -0.09 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1odx s LYS 55 CO 0.03 0.22 0.09 0.14 -0.92 0.00 0.00 175.35 174.91 1odx s VAL 56 N 0.44 0.73 -0.06 3.17 -7.23 0.52 -4.52 120.40 113.45 1odx s VAL 56 Ca 0.23 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1odx s VAL 56 Cb -0.15 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1odx s VAL 56 CO 0.09 0.00 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.52 1odx s ARG 57 N -3.99 2.38 -0.16 4.82 0.52 0.38 -1.49 118.95 121.41 1odx s ARG 57 Ca 0.37 -0.82 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 1odx s ARG 57 Cb 0.08 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 1odx s ARG 57 CO 0.14 0.33 0.11 -1.14 0.02 0.00 0.00 175.30 174.75 1odx s GLN 58 N -0.06 3.76 -0.10 3.54 0.74 0.38 -0.85 119.66 127.07 1odx s GLN 58 Ca -0.05 -0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.16 1odx s GLN 58 Cb -0.14 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1odx s GLN 58 CO 0.04 0.51 -0.21 0.71 -0.55 0.00 0.00 175.29 175.78 1odx s TYR 59 N -0.26 2.33 0.40 1.67 1.51 -0.91 -1.47 117.35 120.62 1odx s TYR 59 Ca 0.10 -0.97 0.08 0.00 -1.01 0.00 0.00 57.07 55.26 1odx s TYR 59 Cb -0.12 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1odx s TYR 59 CO 0.01 -0.41 0.36 -0.51 -1.11 0.00 0.00 175.55 173.88 1odx s ASP 60 N 0.48 5.05 -1.47 2.29 1.01 -1.26 -0.95 116.67 121.82 1odx s ASP 60 Ca -0.16 -0.73 -0.09 0.00 0.71 0.00 0.00 52.55 52.28 1odx s ASP 60 Cb -0.17 -0.62 0.06 0.00 1.01 0.00 0.00 42.92 43.20 1odx s ASP 60 CO 0.06 -0.61 0.84 0.00 0.21 0.00 0.00 175.17 175.68 1odx n GLN 61 N -1.51 -5.00 -3.63 8.23 6.02 -1.17 -4.94 117.38 115.38 1odx n GLN 61 Ca 0.03 0.57 -0.36 0.00 -0.01 0.00 0.00 57.00 57.23 1odx n GLN 61 Cb 0.62 -5.29 -0.08 0.00 1.02 0.00 0.00 30.24 26.51 1odx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1odx s ILE 62 N -3.47 5.35 0.28 5.09 -1.09 -0.90 -4.87 121.20 121.60 1odx s ILE 62 Ca 0.42 0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.92 1odx s ILE 62 Cb -0.21 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.02 1odx s ILE 62 CO 0.84 0.41 0.99 -0.22 -1.23 0.00 0.00 174.94 175.72 1odx s LEU 63 N 0.47 4.53 -0.05 2.97 2.96 -1.26 -2.94 118.68 125.37 1odx s LEU 63 Ca 0.12 2.01 -0.03 0.00 -0.22 0.00 0.00 54.13 56.01 1odx s LEU 63 Cb -0.12 -3.73 0.02 0.00 0.50 0.00 0.00 46.19 42.86 1odx s LEU 63 CO 0.01 0.00 0.12 -0.63 -1.32 0.00 0.00 176.35 174.53 1odx s ILE 64 N -1.29 -0.02 -0.23 6.68 1.01 -0.34 -4.51 121.20 122.51 1odx s ILE 64 Ca 0.45 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 1odx s ILE 64 Cb -0.26 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1odx s ILE 64 CO 0.32 0.03 0.02 -1.61 0.00 0.00 0.00 174.94 173.70 1odx s GLU 65 N 0.47 3.56 -0.18 2.79 2.02 -0.93 -1.07 118.70 125.37 1odx s GLU 65 Ca -0.03 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1odx s GLU 65 Cb -0.05 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 31.03 1odx s GLU 65 CO -0.02 -0.15 -0.18 0.42 0.02 0.00 0.00 175.26 175.36 1odx s ILE 66 N 1.43 2.29 -1.35 -1.63 1.01 0.19 -2.06 121.20 121.07 1odx s ILE 66 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1odx s ILE 66 Cb -0.15 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1odx s ILE 66 CO 0.01 0.52 0.05 0.00 0.00 0.00 0.00 174.94 175.53 1odx n GLY 68 N -2.38 -0.47 3.00 0.00 0.00 -1.26 -5.04 105.19 99.04 1odx n GLY 68 Ca -0.28 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1odx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1odx s HIS 69 N -3.34 0.76 0.05 1.61 4.02 0.11 -5.14 115.29 113.37 1odx s HIS 69 Ca 0.35 -0.15 -0.18 0.00 1.02 0.00 0.00 55.06 56.09 1odx s HIS 69 Cb -0.15 -0.51 -0.06 0.00 -1.02 0.00 0.00 32.58 30.83 1odx s HIS 69 CO 0.73 -0.03 0.53 0.15 1.02 0.00 0.00 174.74 177.13 1odx s LYS 70 N -0.08 4.13 0.05 1.40 1.02 -1.26 0.55 119.74 125.55 1odx s LYS 70 Ca 0.01 0.66 -0.12 0.00 0.02 0.00 0.00 55.97 56.55 1odx s LYS 70 Cb -0.05 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1odx s LYS 70 CO -0.00 0.65 0.25 0.95 -0.92 0.00 0.00 175.35 176.28 1odx s THR 71 N -1.09 0.10 -0.06 2.17 -4.23 -0.23 -4.94 115.64 107.36 1odx s THR 71 Ca 0.28 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1odx s THR 71 Cb -0.19 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.70 1odx s THR 71 CO 0.18 -0.45 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.12 1odx s ILE 72 N -2.73 0.70 0.10 2.99 1.01 -1.26 -1.19 121.20 120.80 1odx s ILE 72 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 1odx s ILE 72 Cb -0.00 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.78 1odx s ILE 72 CO -0.05 0.28 0.43 0.61 0.00 0.00 0.00 174.94 176.21 1odx n GLY 73 N 4.35 1.10 3.80 6.18 0.00 -1.15 -4.92 105.19 114.54 1odx n GLY 73 Ca -0.19 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1odx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1odx s THR 74 N -2.40 4.42 -0.06 2.61 2.01 -1.26 -2.11 115.64 118.86 1odx s THR 74 Ca 0.09 1.51 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1odx s THR 74 Cb -0.01 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.57 1odx s THR 74 CO 0.03 0.21 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.37 1odx s VAL 75 N -1.53 1.04 -0.20 3.82 1.01 -0.12 -4.67 120.40 119.76 1odx s VAL 75 Ca 0.45 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1odx s VAL 75 Cb -0.18 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1odx s VAL 75 CO 0.22 0.33 0.10 -0.76 0.00 0.00 0.00 175.10 175.00 1odx s LEU 76 N 0.65 3.99 -0.20 3.92 1.43 -0.83 -2.15 118.68 125.48 1odx s LEU 76 Ca -0.13 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1odx s LEU 76 Cb -0.15 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1odx s LEU 76 CO 0.03 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.98 1odx s VAL 77 N 0.50 2.98 0.12 -1.59 1.01 -0.03 -1.16 120.40 122.23 1odx s VAL 77 Ca 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1odx s VAL 77 Cb -0.12 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1odx s VAL 77 CO 0.00 0.46 0.34 0.61 0.00 0.00 0.00 175.10 176.52 1odx n GLY 78 N 4.66 1.36 2.29 4.51 0.00 -0.67 -0.47 105.19 116.87 1odx n GLY 78 Ca -0.19 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1odx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1odx n PRO 79 N -0.24 3.48 -2.95 1.61 -0.04 -1.26 -2.55 135.00 133.06 1odx n PRO 79 Ca -0.02 -2.20 -0.35 0.00 -0.04 0.00 0.00 63.50 60.89 1odx n PRO 79 Cb 0.23 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.03 1odx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1odx s THR 80 N 1.16 4.44 0.13 0.52 -1.32 -1.26 -4.97 115.64 114.35 1odx s THR 80 Ca 0.66 1.42 0.26 0.00 -1.21 0.00 0.00 61.69 62.83 1odx s THR 80 Cb 0.22 -3.79 0.27 0.00 -1.51 0.00 0.00 72.50 67.69 1odx s THR 80 CO -0.06 -0.02 1.86 -0.65 -2.21 0.00 0.00 174.62 173.54 1odx h PRO 81 N 2.73 0.00 -3.63 7.08 0.11 -1.98 -3.42 132.00 132.89 1odx h PRO 81 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1odx h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1odx h PRO 81 CO 0.64 0.17 -0.51 0.00 -0.21 0.00 0.00 178.00 178.09 1odx s ALA 82 N -3.66 -0.22 -0.24 -0.75 0.00 -1.26 -5.07 121.76 110.55 1odx s ALA 82 Ca 0.01 -0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 1odx s ALA 82 Cb 0.10 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1odx s ALA 82 CO 0.62 -0.25 0.94 -0.80 0.00 0.00 0.00 175.76 176.27 1odx s ASN 83 N -1.66 6.96 -0.14 0.00 0.01 -1.26 -4.62 114.94 114.23 1odx s ASN 83 Ca -0.11 1.19 0.01 0.00 -0.71 0.00 0.00 52.86 53.23 1odx s ASN 83 Cb -0.05 -2.49 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 1odx s ASN 83 CO -0.01 -0.61 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.17 1odx s ILE 84 N 3.06 2.61 -0.33 0.60 1.01 0.30 -1.41 121.20 127.03 1odx s ILE 84 Ca 0.40 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1odx s ILE 84 Cb -0.15 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1odx s ILE 84 CO 0.07 0.53 0.21 -0.63 0.00 0.00 0.00 174.94 175.12 1odx s ILE 85 N 0.64 5.08 0.38 2.92 -1.09 -0.04 -1.10 121.20 128.00 1odx s ILE 85 Ca -0.09 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1odx s ILE 85 Cb -0.16 -3.60 0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1odx s ILE 85 CO 0.03 0.02 0.53 0.61 -1.23 0.00 0.00 174.94 174.89 1odx n GLY 86 N 5.07 1.77 0.21 6.18 0.00 -1.15 -1.39 105.19 115.87 1odx n GLY 86 Ca -0.13 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 43.87 1odx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1odx h ARG 87 N 0.00 0.00 0.00 1.61 3.08 0.26 -2.90 114.38 116.43 1odx h ARG 87 Ca -0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1odx h ARG 87 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1odx h ARG 87 CO 0.24 0.00 -0.25 -2.95 -1.07 0.00 0.00 179.97 175.94 1odx h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.71 -2.68 115.58 117.16 1odx h ASN 88 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 1odx h ASN 88 Cb 0.17 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.36 1odx h ASN 88 CO 0.00 0.25 -2.17 0.18 0.07 0.00 0.00 177.43 175.76 1odx n LEU 89 N -3.75 0.40 -0.31 6.14 4.77 -1.12 -4.47 117.00 118.65 1odx n LEU 89 Ca -0.01 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 1odx n LEU 89 Cb 0.35 0.26 0.12 0.00 -2.33 0.00 0.00 43.42 41.82 1odx n LEU 89 CO 0.34 0.48 1.21 -0.07 -1.33 0.00 0.00 177.39 178.02 1odx h LEU 90 N 0.00 0.90 -1.84 2.23 3.38 -1.53 -1.28 115.31 117.16 1odx h LEU 90 Ca -0.46 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1odx h LEU 90 Cb 2.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 1odx h LEU 90 CO 0.01 0.61 -0.14 0.71 0.09 0.00 0.00 178.44 179.72 1odx h THR 91 N 1.05 0.86 -0.05 0.22 1.35 -1.70 -2.34 112.91 112.30 1odx h THR 91 Ca 0.35 -0.50 -0.19 0.00 -0.55 0.00 0.00 66.41 65.51 1odx h THR 91 Cb 0.04 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1odx h THR 91 CO -0.13 0.13 -0.79 1.56 -0.25 0.00 0.00 175.52 176.04 1odx h GLN 92 N 0.00 0.36 -0.07 4.72 4.20 -1.47 -2.96 115.11 119.88 1odx h GLN 92 Ca -0.00 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1odx h GLN 92 Cb 0.28 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1odx h GLN 92 CO 0.02 0.99 0.00 0.44 -0.67 0.00 0.00 178.83 179.60 1odx n ILE 93 N -3.79 0.09 -1.44 2.54 -5.35 -0.90 -4.90 119.36 105.61 1odx n ILE 93 Ca -0.05 -0.23 -0.07 0.00 -0.27 0.00 0.00 62.75 62.14 1odx n ILE 93 Cb 0.75 0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 1odx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1odx n GLY 94 N 1.08 0.71 3.75 3.28 0.00 -1.12 -5.00 105.19 107.89 1odx n GLY 94 Ca 0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1odx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1odx s THR 96 N -0.74 1.17 -0.11 0.00 -4.23 -1.26 -4.77 115.64 105.70 1odx s THR 96 Ca 0.48 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1odx s THR 96 Cb -0.33 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1odx s THR 96 CO 0.41 -0.49 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.77 1odx s LEU 97 N -3.27 3.50 -0.01 4.79 2.96 -1.26 -5.10 118.68 120.30 1odx s LEU 97 Ca 0.24 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1odx s LEU 97 Cb 0.04 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 1odx s LEU 97 CO 0.06 0.31 -0.09 0.20 -1.32 0.00 0.00 176.35 175.51 1odx s ASN 98 N -0.48 1.08 0.00 3.68 0.01 -1.26 -5.30 114.94 112.68 1odx s ASN 98 Ca 0.08 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 1odx s ASN 98 Cb -0.12 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.39 1odx s ASN 98 CO 0.02 0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.93