#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1met s GLN 2 N 0.00 4.37 -0.16 0.54 0.74 -1.26 -5.07 119.66 118.81 1met s GLN 2 Ca 0.00 0.77 0.01 0.00 0.05 0.00 0.00 55.36 56.19 1met s GLN 2 Cb 0.00 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.75 1met s GLN 2 CO 0.00 0.26 -0.17 0.08 -0.55 0.00 0.00 175.29 174.91 1met s VAL 3 N 0.15 1.82 0.77 1.34 1.01 -1.26 -5.12 120.40 119.11 1met s VAL 3 Ca 0.33 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1met s VAL 3 Cb -0.18 -1.66 0.13 0.00 0.00 0.00 0.00 36.38 34.67 1met s VAL 3 CO 0.17 0.50 1.07 0.42 0.00 0.00 0.00 175.10 177.26 1met s THR 4 N 1.36 2.15 -0.15 3.92 -4.23 -1.26 -5.01 115.64 112.41 1met s THR 4 Ca 0.04 -0.39 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 1met s THR 4 Cb -0.13 -2.75 0.34 0.00 1.34 0.00 0.00 72.50 71.29 1met s THR 4 CO -0.11 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.32 1met n LEU 5 N -3.07 2.24 0.23 4.79 4.77 -1.26 -4.47 117.00 120.23 1met n LEU 5 Ca 0.14 -3.23 0.07 0.00 -0.03 0.00 0.00 56.01 52.97 1met n LEU 5 Cb 0.60 -0.41 0.55 0.00 -2.33 0.00 0.00 43.42 41.83 1met n LEU 5 CO 0.45 0.97 0.88 -0.50 -1.33 0.00 0.00 177.39 177.86 1met h TRP 6 N 0.52 0.00 -2.52 -1.77 4.06 -2.06 -3.43 115.95 110.74 1met h TRP 6 Ca -0.02 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.42 1met h TRP 6 Cb 1.10 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.12 1met h TRP 6 CO 0.36 0.21 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.15 1met s GLN 7 N -4.34 1.66 0.30 0.49 -1.52 -1.26 -5.11 119.66 109.88 1met s GLN 7 Ca -0.03 -1.88 -0.30 0.00 -1.95 0.00 0.00 55.36 51.20 1met s GLN 7 Cb 0.14 -1.17 -0.12 0.00 -0.22 0.00 0.00 33.01 31.65 1met s GLN 7 CO 0.66 -0.04 1.54 0.54 -0.25 0.00 0.00 175.29 177.74 1met n ARG 8 N -0.68 2.56 -2.60 2.91 1.74 -1.26 -4.89 116.66 114.44 1met n ARG 8 Ca -0.04 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 1met n ARG 8 Cb 0.65 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.40 1met n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1met s PRO 9 N -0.74 3.53 0.03 5.56 0.04 -1.26 -4.97 135.00 137.19 1met s PRO 9 Ca 0.63 -1.06 0.03 0.00 0.04 0.00 0.00 61.00 60.64 1met s PRO 9 Cb -0.52 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 28.84 1met s PRO 9 CO 0.51 -2.15 -0.02 -0.51 0.04 0.00 0.00 177.00 174.87 1met s LEU 10 N 4.84 3.39 0.23 -3.56 1.43 -1.26 -0.94 118.68 122.80 1met s LEU 10 Ca 0.43 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1met s LEU 10 Cb -0.02 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1met s LEU 10 CO -0.06 0.25 0.09 0.68 0.23 0.00 0.00 176.35 177.54 1met s VAL 11 N -1.13 0.41 -0.01 -1.59 -7.23 -0.54 -4.93 120.40 105.38 1met s VAL 11 Ca 0.21 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.19 1met s VAL 11 Cb -0.11 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1met s VAL 11 CO 0.12 -0.09 0.57 -0.89 -0.31 0.00 0.00 175.10 174.49 1met s THR 12 N -3.86 4.94 0.12 5.32 2.01 -1.26 -0.94 115.64 121.98 1met s THR 12 Ca 0.36 1.18 0.08 0.00 0.31 0.00 0.00 61.69 63.62 1met s THR 12 Cb 0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1met s THR 12 CO 0.11 0.42 -0.13 0.27 -0.69 0.00 0.00 174.62 174.61 1met s ILE 13 N -0.20 3.14 -0.22 1.82 -4.36 0.29 -1.55 121.20 120.12 1met s ILE 13 Ca 0.30 -1.44 -0.05 0.00 -0.26 0.00 0.00 60.65 59.20 1met s ILE 13 Cb -0.18 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 1met s ILE 13 CO 0.16 0.06 -0.01 -0.75 0.24 0.00 0.00 174.94 174.64 1met s LYS 14 N -2.31 3.49 -0.03 0.37 2.36 0.13 -0.96 119.74 122.78 1met s LYS 14 Ca 0.21 -0.57 -0.01 0.00 -2.55 0.00 0.00 55.97 53.05 1met s LYS 14 Cb -0.10 -3.10 0.03 0.00 -1.05 0.00 0.00 37.83 33.61 1met s LYS 14 CO 0.13 -0.15 0.04 -1.50 1.55 0.00 0.00 175.35 175.42 1met s ILE 15 N 1.41 -0.06 -1.80 5.43 1.10 0.75 -1.18 121.20 126.85 1met s ILE 15 Ca 0.05 0.30 0.00 0.00 -0.51 0.00 0.00 60.65 60.48 1met s ILE 15 Cb -0.15 -0.13 0.00 0.00 0.15 0.00 0.00 42.46 42.34 1met s ILE 15 CO -0.00 0.13 0.00 0.61 -2.11 0.00 0.00 174.94 173.57 1met n GLY 16 N 4.66 -0.17 2.99 1.50 0.00 -1.26 0.04 105.19 112.95 1met n GLY 16 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1met n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1met n GLY 17 N -0.95 1.13 3.56 -0.02 0.00 -1.26 -5.01 105.19 102.64 1met n GLY 17 Ca -0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1met n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1met s GLN 18 N -0.00 2.05 -0.19 1.61 -0.21 0.11 -5.12 119.66 117.91 1met s GLN 18 Ca 0.00 -1.22 -0.08 0.00 0.02 0.00 0.00 55.36 54.08 1met s GLN 18 Cb 0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 1met s GLN 18 CO 0.00 0.45 0.08 -0.51 -2.12 0.00 0.00 175.29 173.19 1met s LEU 19 N -2.67 3.93 0.25 2.90 1.02 -1.26 -0.17 118.68 122.67 1met s LEU 19 Ca 0.24 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.54 1met s LEU 19 Cb -0.09 -2.00 -0.05 0.00 0.02 0.00 0.00 46.19 44.07 1met s LEU 19 CO 0.14 0.18 0.05 -0.54 0.02 0.00 0.00 176.35 176.20 1met s LYS 20 N 0.34 1.37 0.10 1.70 -0.14 -0.14 -4.99 119.74 117.99 1met s LYS 20 Ca 0.05 -1.72 0.04 0.00 -1.36 0.00 0.00 55.97 52.97 1met s LYS 20 Cb -0.12 -0.45 -0.04 0.00 -1.68 0.00 0.00 37.83 35.54 1met s LYS 20 CO -0.00 -0.19 0.06 -1.21 -0.76 0.00 0.00 175.35 173.25 1met s GLU 21 N -3.94 2.78 0.04 1.68 2.02 -1.26 -0.55 118.70 119.47 1met s GLU 21 Ca 0.33 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 1met s GLU 21 Cb 0.07 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 1met s GLU 21 CO 0.11 0.54 0.03 0.00 0.02 0.00 0.00 175.26 175.96 1met s ALA 22 N -1.43 0.15 -0.01 5.21 0.00 -0.12 -4.52 121.76 121.05 1met s ALA 22 Ca 0.29 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.28 1met s ALA 22 Cb -0.12 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1met s ALA 22 CO 0.21 -0.31 0.57 -0.51 0.00 0.00 0.00 175.76 175.72 1met s LEU 23 N -2.27 4.42 -0.26 0.00 1.43 0.58 -1.46 118.68 121.12 1met s LEU 23 Ca -0.03 1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 53.95 1met s LEU 23 Cb 0.00 -2.87 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 1met s LEU 23 CO -0.06 0.12 0.83 -0.76 0.23 0.00 0.00 176.35 176.71 1met s LEU 24 N -0.26 4.07 -0.35 1.79 1.02 -0.12 -0.75 118.68 124.08 1met s LEU 24 Ca 0.30 0.96 0.00 0.00 0.02 0.00 0.00 54.13 55.41 1met s LEU 24 Cb -0.18 -3.17 0.11 0.00 0.02 0.00 0.00 46.19 42.97 1met s LEU 24 CO 0.16 -0.55 0.14 -0.62 0.02 0.00 0.00 176.35 175.50 1met s ASP 25 N 1.41 3.94 0.60 2.29 -1.08 -0.56 -4.81 116.67 118.46 1met s ASP 25 Ca 0.35 -1.96 0.40 0.00 -0.52 0.00 0.00 52.55 50.82 1met s ASP 25 Cb -0.15 -0.94 2.15 0.00 -1.46 0.00 0.00 42.92 42.52 1met s ASP 25 CO 0.09 -0.37 2.22 0.71 0.52 0.00 0.00 175.17 178.34 1met h THR 26 N 6.11 0.00 -0.00 1.71 1.35 -1.94 -2.46 112.91 117.67 1met h THR 26 Ca -0.09 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1met h THR 26 Cb 0.99 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1met h THR 26 CO 0.47 0.00 -0.28 0.61 -0.25 0.00 0.00 175.52 176.07 1met n GLY 27 N -1.06 -1.21 3.71 5.82 0.00 -1.26 -4.81 105.19 106.38 1met n GLY 27 Ca -0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1met n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1met s ALA 28 N -2.87 3.60 0.21 4.61 0.00 -0.93 -4.98 121.76 121.40 1met s ALA 28 Ca 0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1met s ALA 28 Cb 0.18 -2.08 0.17 0.00 0.00 0.00 0.00 23.12 21.40 1met s ALA 28 CO 0.60 0.19 1.60 -0.44 0.00 0.00 0.00 175.76 177.72 1met h ASP 29 N 6.59 0.77 -1.83 0.00 3.32 -1.87 0.23 116.42 123.62 1met h ASP 29 Ca -0.40 -0.30 -0.60 0.00 0.02 0.00 0.00 57.03 55.75 1met h ASP 29 Cb 1.16 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 1met h ASP 29 CO 0.73 1.01 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.89 1met s ASP 30 N -6.79 3.46 -0.17 6.45 1.01 -1.26 -0.93 116.67 118.45 1met s ASP 30 Ca -0.09 -1.51 -0.07 0.00 0.71 0.00 0.00 52.55 51.59 1met s ASP 30 Cb 0.13 0.10 -0.04 0.00 1.01 0.00 0.00 42.92 44.11 1met s ASP 30 CO 0.84 -0.69 0.08 -0.89 0.21 0.00 0.00 175.17 174.72 1met s THR 31 N -2.97 4.93 -0.08 -1.27 2.01 -1.26 -3.17 115.64 113.83 1met s THR 31 Ca 0.24 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1met s THR 31 Cb 0.06 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1met s THR 31 CO 0.12 0.48 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.75 1met s VAL 32 N 0.13 1.03 0.05 3.82 1.01 0.00 -0.89 120.40 125.55 1met s VAL 32 Ca 0.06 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1met s VAL 32 Cb -0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1met s VAL 32 CO 0.00 0.35 -0.19 -0.76 0.00 0.00 0.00 175.10 174.50 1met s LEU 33 N 1.10 2.57 0.87 3.92 1.43 0.61 -0.53 118.68 128.65 1met s LEU 33 Ca -0.07 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1met s LEU 33 Cb -0.14 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1met s LEU 33 CO -0.01 0.25 0.59 -0.62 0.23 0.00 0.00 176.35 176.79 1met n GLU 34 N 1.48 -0.09 -1.67 1.70 1.02 -1.26 -0.83 120.64 121.00 1met n GLU 34 Ca -0.16 0.03 -0.49 0.00 -0.02 0.00 0.00 57.16 56.52 1met n GLU 34 Cb 0.52 -1.96 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 1met n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1met n GLU 35 N -1.83 1.90 -4.19 3.49 -0.58 -1.15 -4.43 120.64 113.84 1met n GLU 35 Ca 0.09 0.69 -0.12 0.00 -0.42 0.00 0.00 57.16 57.41 1met n GLU 35 Cb 0.52 -2.46 -0.10 0.00 -0.57 0.00 0.00 31.44 28.83 1met n GLU 35 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1met s MET 36 N 2.18 0.98 -0.63 3.49 -1.94 -1.26 -5.01 119.30 117.11 1met s MET 36 Ca 0.86 -1.46 -0.23 0.00 -1.71 0.00 0.00 55.69 53.15 1met s MET 36 Cb -0.77 -0.08 0.06 0.00 2.01 0.00 0.00 34.83 36.05 1met s MET 36 CO 0.47 -0.15 0.99 0.45 -0.01 0.00 0.00 175.02 176.76 1met s SER 37 N -3.10 6.22 -0.05 3.03 0.15 -1.26 -5.02 113.70 113.66 1met s SER 37 Ca 0.21 -0.76 0.05 0.00 0.70 0.00 0.00 55.95 56.15 1met s SER 37 Cb 0.07 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1met s SER 37 CO 0.01 -1.42 -0.19 -0.76 1.20 0.00 0.00 173.24 172.08 1met s LEU 38 N 4.18 2.42 -0.02 3.45 1.43 -1.26 -4.96 118.68 123.93 1met s LEU 38 Ca 0.26 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 1met s LEU 38 Cb -0.15 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1met s LEU 38 CO 0.13 0.30 1.32 -2.16 0.23 0.00 0.00 176.35 176.17 1met s PRO 39 N -0.47 4.31 0.00 1.29 0.04 -1.26 -4.87 135.00 134.04 1met s PRO 39 Ca 0.06 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1met s PRO 39 Cb -0.12 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1met s PRO 39 CO 0.01 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1met n GLY 40 N 3.52 0.52 3.54 0.56 0.00 -1.26 -5.04 105.19 107.02 1met n GLY 40 Ca 0.12 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1met n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1met s ARG 41 N -0.28 1.85 0.16 1.61 3.00 -1.26 -5.11 118.95 118.92 1met s ARG 41 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 55.73 53.80 1met s ARG 41 Cb 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 34.95 33.16 1met s ARG 41 CO 0.00 0.26 0.46 1.67 0.00 0.00 0.00 175.30 177.68 1met s TRP 42 N -2.51 -0.17 -0.08 -0.53 1.48 -1.26 -4.76 118.94 111.10 1met s TRP 42 Ca 0.32 -0.15 0.02 0.00 -1.06 0.00 0.00 56.10 55.22 1met s TRP 42 Cb -0.03 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.58 1met s TRP 42 CO 0.17 -0.79 -0.13 0.15 -4.06 0.00 0.00 176.95 172.28 1met s LYS 43 N -3.83 2.88 0.30 3.25 1.02 -0.65 -4.89 119.74 117.82 1met s LYS 43 Ca 0.06 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 1met s LYS 43 Cb 0.01 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 1met s LYS 43 CO -0.08 0.46 1.08 -1.25 -0.92 0.00 0.00 175.35 174.64 1met s PRO 44 N -0.30 4.55 0.11 -1.68 0.04 -1.26 0.31 135.00 136.77 1met s PRO 44 Ca 0.03 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1met s PRO 44 Cb -0.13 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1met s PRO 44 CO 0.03 0.15 0.02 0.21 0.04 0.00 0.00 177.00 177.45 1met s LYS 45 N -1.65 0.84 -0.02 4.56 2.20 0.63 -4.88 119.74 121.42 1met s LYS 45 Ca 0.47 -1.37 0.06 0.00 -0.36 0.00 0.00 55.97 54.76 1met s LYS 45 Cb -0.30 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1met s LYS 45 CO 0.38 -0.19 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.36 1met s MET 46 N -3.98 1.54 0.19 4.03 -1.94 -1.26 0.27 119.30 118.15 1met s MET 46 Ca 0.18 -0.66 0.09 0.00 -1.71 0.00 0.00 55.69 53.59 1met s MET 46 Cb 0.07 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 1met s MET 46 CO -0.02 0.38 -0.18 0.96 -0.01 0.00 0.00 175.02 176.15 1met s ILE 47 N -0.38 1.90 0.07 2.53 -4.36 -0.17 -4.94 121.20 115.85 1met s ILE 47 Ca 0.06 -2.06 0.10 0.00 -0.26 0.00 0.00 60.65 58.49 1met s ILE 47 Cb -0.08 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 1met s ILE 47 CO -0.00 -0.39 -0.26 -0.83 0.24 0.00 0.00 174.94 173.70 1met s GLY 48 N -2.94 1.42 0.00 6.27 0.00 -1.26 0.17 107.32 110.99 1met s GLY 48 Ca 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1met s GLY 48 CO 0.08 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.55 1met n GLY 49 N 1.49 5.24 3.78 0.20 0.00 0.12 -4.99 105.19 111.02 1met n GLY 49 Ca -0.17 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1met n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1met s ILE 50 N -0.94 3.33 0.00 -0.61 -4.36 -1.26 -2.91 121.20 114.45 1met s ILE 50 Ca 0.00 0.93 0.00 0.00 -0.26 0.00 0.00 60.65 61.32 1met s ILE 50 Cb 0.00 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.27 1met s ILE 50 CO 0.00 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.71 1met n GLY 51 N 0.25 2.64 0.00 6.27 0.00 -1.26 -4.91 105.19 108.18 1met n GLY 51 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1met n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1met n GLY 52 N 0.00 0.38 3.33 -0.02 0.00 -1.14 -5.13 105.19 102.61 1met n GLY 52 Ca 0.00 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 1met n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1met s PHE 53 N -3.26 2.01 0.22 1.61 -0.71 -1.26 -0.70 117.98 115.89 1met s PHE 53 Ca 0.00 -0.40 0.11 0.00 -1.04 0.00 0.00 56.93 55.60 1met s PHE 53 Cb 0.00 -1.08 -0.05 0.00 -1.21 0.00 0.00 43.02 40.68 1met s PHE 53 CO 0.00 0.28 -0.22 0.96 -1.34 0.00 0.00 175.22 174.90 1met s ILE 54 N -1.20 2.35 -0.11 -4.49 -4.36 0.13 -4.93 121.20 108.58 1met s ILE 54 Ca 0.10 -2.17 -0.17 0.00 -0.26 0.00 0.00 60.65 58.15 1met s ILE 54 Cb -0.10 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 1met s ILE 54 CO 0.05 -0.25 0.43 -0.54 0.24 0.00 0.00 174.94 174.87 1met s LYS 55 N -3.02 4.27 0.08 0.37 1.02 -1.26 -1.00 119.74 120.20 1met s LYS 55 Ca 0.24 0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.64 1met s LYS 55 Cb -0.06 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1met s LYS 55 CO 0.11 0.25 -0.11 0.54 -0.92 0.00 0.00 175.35 175.22 1met s VAL 56 N 0.36 0.94 -0.20 3.17 0.11 0.14 -4.55 120.40 120.37 1met s VAL 56 Ca 0.24 -1.43 -0.06 0.00 -2.93 0.00 0.00 61.98 57.80 1met s VAL 56 Cb -0.15 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1met s VAL 56 CO 0.09 -0.41 0.04 -0.13 -3.33 0.00 0.00 175.10 171.36 1met s ARG 57 N -2.21 3.75 -0.12 1.54 0.52 -0.28 -0.27 118.95 121.88 1met s ARG 57 Ca 0.00 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 54.58 1met s ARG 57 Cb -0.07 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1met s ARG 57 CO 0.01 0.06 0.47 -1.14 0.02 0.00 0.00 175.30 174.72 1met s GLN 58 N 0.92 4.33 -0.12 3.54 0.74 0.15 -0.91 119.66 128.31 1met s GLN 58 Ca 0.03 0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.89 1met s GLN 58 Cb -0.14 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.54 1met s GLN 58 CO 0.02 0.15 -0.19 0.71 -0.55 0.00 0.00 175.29 175.43 1met s TYR 59 N 0.65 2.36 0.24 1.67 2.02 -0.30 -1.63 117.35 122.36 1met s TYR 59 Ca 0.25 -1.13 0.05 0.00 -0.37 0.00 0.00 57.07 55.88 1met s TYR 59 Cb -0.15 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1met s TYR 59 CO 0.10 -0.53 0.33 -0.51 -1.57 0.00 0.00 175.55 173.37 1met s ASP 60 N 0.82 6.16 -1.36 2.29 1.01 -1.26 -1.09 116.67 123.24 1met s ASP 60 Ca -0.09 0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.13 1met s ASP 60 Cb -0.16 -1.77 0.02 0.00 1.01 0.00 0.00 42.92 42.03 1met s ASP 60 CO -0.00 -0.06 0.90 0.00 0.21 0.00 0.00 175.17 176.21 1met n GLN 61 N -1.35 -5.82 -3.49 8.23 1.13 -1.03 -4.90 117.38 110.14 1met n GLN 61 Ca -0.09 0.68 -0.37 0.00 -1.94 0.00 0.00 57.00 55.29 1met n GLN 61 Cb 0.57 -5.48 -0.07 0.00 0.11 0.00 0.00 30.24 25.37 1met n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1met s ILE 62 N -3.47 5.23 -0.12 5.09 -1.09 0.77 -4.74 121.20 122.88 1met s ILE 62 Ca 0.26 0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 59.07 1met s ILE 62 Cb -0.13 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1met s ILE 62 CO 0.79 0.42 1.09 -0.22 -1.23 0.00 0.00 174.94 175.79 1met s LEU 63 N 0.12 4.22 -0.05 2.97 0.20 -1.26 -1.24 118.68 123.63 1met s LEU 63 Ca 0.20 1.59 0.04 0.00 0.69 0.00 0.00 54.13 56.66 1met s LEU 63 Cb -0.14 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1met s LEU 63 CO 0.07 -0.55 -0.18 -0.63 -0.29 0.00 0.00 176.35 174.77 1met s ILE 64 N 2.43 1.53 -0.26 6.68 1.01 0.94 -4.47 121.20 129.06 1met s ILE 64 Ca 0.50 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1met s ILE 64 Cb -0.20 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1met s ILE 64 CO 0.16 0.44 0.11 -1.61 0.00 0.00 0.00 174.94 174.05 1met s GLU 65 N 0.13 3.73 -0.15 2.79 2.02 -0.33 -1.07 118.70 125.82 1met s GLU 65 Ca -0.07 -0.44 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 1met s GLU 65 Cb -0.13 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 1met s GLU 65 CO 0.03 -0.20 -0.13 0.42 0.02 0.00 0.00 175.26 175.40 1met s ILE 66 N 1.66 2.88 0.00 -1.63 1.01 0.05 0.17 121.20 125.35 1met s ILE 66 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1met s ILE 66 Cb -0.15 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1met s ILE 66 CO 0.06 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.51 1met n GLY 68 N 0.00 1.06 3.74 0.00 0.00 -1.26 -4.87 105.19 103.85 1met n GLY 68 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1met n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1met s HIS 69 N -1.64 3.22 0.10 1.61 4.02 -0.05 -5.07 115.29 117.48 1met s HIS 69 Ca 0.20 0.20 0.02 0.00 1.02 0.00 0.00 55.06 56.50 1met s HIS 69 Cb 0.12 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.58 29.90 1met s HIS 69 CO 0.10 0.52 0.17 0.15 1.02 0.00 0.00 174.74 176.70 1met s LYS 70 N -1.40 3.17 0.05 1.40 1.02 -1.26 -0.77 119.74 121.94 1met s LYS 70 Ca 0.19 -0.63 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 1met s LYS 70 Cb -0.12 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1met s LYS 70 CO 0.09 0.55 0.45 0.00 -0.92 0.00 0.00 175.35 175.52 1met s ALA 71 N -1.57 -1.10 -0.05 5.17 0.00 -0.23 -4.88 121.76 119.10 1met s ALA 71 Ca 0.32 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1met s ALA 71 Cb -0.12 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 1met s ALA 71 CO 0.25 -0.49 -0.18 0.42 0.00 0.00 0.00 175.76 175.77 1met s ILE 72 N -2.56 1.49 0.09 0.00 1.01 -1.26 -0.04 121.20 119.92 1met s ILE 72 Ca -0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1met s ILE 72 Cb -0.01 -1.28 0.05 0.00 0.01 0.00 0.00 42.46 41.24 1met s ILE 72 CO -0.03 0.43 0.75 0.61 0.00 0.00 0.00 174.94 176.69 1met n GLY 73 N 3.16 0.70 3.76 6.18 0.00 -0.38 -4.86 105.19 113.76 1met n GLY 73 Ca -0.18 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1met n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1met s THR 74 N -2.18 4.61 0.08 2.61 2.01 -1.26 -0.16 115.64 121.35 1met s THR 74 Ca 0.17 1.62 0.07 0.00 0.31 0.00 0.00 61.69 63.87 1met s THR 74 Cb -0.02 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1met s THR 74 CO 0.03 0.43 -0.19 0.68 -0.69 0.00 0.00 174.62 174.88 1met s VAL 75 N -0.48 1.55 -0.14 3.82 -7.23 -0.25 -4.50 120.40 113.17 1met s VAL 75 Ca 0.37 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 1met s VAL 75 Cb -0.21 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1met s VAL 75 CO 0.24 -0.04 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.19 1met s LEU 76 N -1.71 3.30 -0.06 1.32 1.43 -0.07 -1.14 118.68 121.75 1met s LEU 76 Ca 0.05 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1met s LEU 76 Cb -0.10 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1met s LEU 76 CO 0.03 0.22 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 1met s VAL 77 N 0.06 2.83 -1.45 -1.59 1.01 -0.09 -0.29 120.40 120.88 1met s VAL 77 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1met s VAL 77 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1met s VAL 77 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1met n GLY 78 N 2.62 -1.54 2.12 4.51 0.00 -0.01 -1.13 105.19 111.76 1met n GLY 78 Ca -0.17 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 1met n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1met n PRO 79 N -0.22 2.10 -2.74 1.61 -0.04 -1.26 -2.96 135.00 131.49 1met n PRO 79 Ca 0.00 -1.12 -0.34 0.00 -0.04 0.00 0.00 63.50 61.99 1met n PRO 79 Cb 0.00 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 1met n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1met s THR 80 N 1.47 4.18 -0.91 0.52 -1.32 -1.26 -4.96 115.64 113.36 1met s THR 80 Ca 0.60 1.47 0.19 0.00 -1.21 0.00 0.00 61.69 62.74 1met s THR 80 Cb 0.26 -3.66 0.16 0.00 -1.51 0.00 0.00 72.50 67.75 1met s THR 80 CO -0.01 -0.18 1.59 -0.81 -2.21 0.00 0.00 174.62 173.00 1met n PRO 81 N -0.40 0.04 -3.74 7.08 -0.04 -1.26 -4.62 135.00 132.05 1met n PRO 81 Ca 0.06 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1met n PRO 81 Cb 0.53 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1met n PRO 81 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1met s PHE 82 N -3.05 -0.09 -0.10 0.54 -0.12 -1.26 -5.07 117.98 108.83 1met s PHE 82 Ca 0.08 -0.19 -0.26 0.00 -0.05 0.00 0.00 56.93 56.51 1met s PHE 82 Cb 0.11 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 43.11 1met s PHE 82 CO 0.34 -0.73 0.84 -0.80 -0.05 0.00 0.00 175.22 174.82 1met s ASN 83 N -3.01 7.07 -0.18 1.98 0.01 -1.26 -4.56 114.94 114.99 1met s ASN 83 Ca 0.14 1.30 -0.01 0.00 -0.71 0.00 0.00 52.86 53.59 1met s ASN 83 Cb -0.00 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1met s ASN 83 CO 0.01 -0.29 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.55 1met s ILE 84 N 1.51 2.69 -0.39 0.60 1.01 0.31 -0.30 121.20 126.63 1met s ILE 84 Ca 0.42 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1met s ILE 84 Cb -0.18 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1met s ILE 84 CO 0.18 0.50 0.33 -0.63 0.00 0.00 0.00 174.94 175.32 1met s ILE 85 N 1.15 5.20 0.26 2.92 -1.09 0.07 -0.82 121.20 128.90 1met s ILE 85 Ca 0.01 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 1met s ILE 85 Cb -0.14 -3.90 0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1met s ILE 85 CO -0.05 -0.24 0.36 0.61 -1.23 0.00 0.00 174.94 174.39 1met n GLY 86 N 5.10 1.66 0.30 6.18 0.00 -1.19 -1.49 105.19 115.75 1met n GLY 86 Ca -0.10 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.86 1met n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1met h ARG 87 N 0.00 0.28 -0.16 1.61 3.08 -0.15 -1.59 114.38 117.45 1met h ARG 87 Ca -0.12 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.96 1met h ARG 87 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1met h ARG 87 CO 0.16 0.19 0.23 -2.95 -1.07 0.00 0.00 179.97 176.53 1met h ASN 88 N 0.29 0.00 0.00 7.04 -1.07 -1.29 -1.32 115.58 119.23 1met h ASN 88 Ca 0.11 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.17 1met h ASN 88 Cb 0.07 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.26 1met h ASN 88 CO -0.02 0.00 -2.14 0.18 0.07 0.00 0.00 177.43 175.51 1met n LEU 89 N -3.58 0.83 -0.04 6.14 4.77 -0.74 -4.46 117.00 119.93 1met n LEU 89 Ca 0.01 -0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1met n LEU 89 Cb 0.34 0.09 0.49 0.00 -2.33 0.00 0.00 43.42 42.01 1met n LEU 89 CO 0.25 0.53 1.17 -0.07 -1.33 0.00 0.00 177.39 177.94 1met h LEU 90 N 0.00 0.36 -1.07 2.23 4.07 -0.85 0.26 115.31 120.31 1met h LEU 90 Ca -0.45 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.42 1met h LEU 90 Cb 1.93 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.58 1met h LEU 90 CO -0.00 0.24 -0.42 0.71 -1.08 0.00 0.00 178.44 177.88 1met h THR 91 N 0.41 1.12 0.00 0.22 1.35 -1.48 -1.66 112.91 112.88 1met h THR 91 Ca 0.23 -1.52 -0.17 0.00 -0.55 0.00 0.00 66.41 64.39 1met h THR 91 Cb 0.36 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1met h THR 91 CO -0.06 0.41 -0.81 1.56 -0.25 0.00 0.00 175.52 176.37 1met h GLN 92 N 0.00 0.01 -0.48 4.72 4.20 -0.72 -1.82 115.11 121.02 1met h GLN 92 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1met h GLN 92 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1met h GLN 92 CO 0.05 0.81 0.00 0.44 -0.67 0.00 0.00 178.83 179.46 1met n ILE 93 N -3.58 0.74 -2.67 2.54 -5.35 -0.95 -4.92 119.36 105.16 1met n ILE 93 Ca -0.01 -0.60 -0.15 0.00 -0.27 0.00 0.00 62.75 61.72 1met n ILE 93 Cb 0.77 0.17 0.02 0.00 -1.74 0.00 0.00 39.64 38.86 1met n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1met n GLY 94 N 1.03 -0.15 3.74 3.28 0.00 -0.68 -4.98 105.19 107.43 1met n GLY 94 Ca 0.14 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1met n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1met s THR 96 N -0.49 1.92 -0.08 0.00 -4.23 -1.26 -4.77 115.64 106.74 1met s THR 96 Ca 0.43 -2.23 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 1met s THR 96 Cb -0.24 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1met s THR 96 CO 0.29 -0.42 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.65 1met s LEU 97 N -3.43 3.08 -0.01 4.79 2.96 -1.26 -5.09 118.68 119.73 1met s LEU 97 Ca 0.27 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1met s LEU 97 Cb 0.00 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1met s LEU 97 CO 0.11 0.33 -0.01 0.20 -1.32 0.00 0.00 176.35 175.66 1met s ASN 98 N -0.61 0.36 0.00 3.68 -0.87 -1.26 -5.29 114.94 110.95 1met s ASN 98 Ca 0.09 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 1met s ASN 98 Cb -0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.99 1met s ASN 98 CO 0.02 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.74