#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 3.85 -0.11 0.54 0.74 -1.26 -5.08 119.66 118.34 1met s GLN 2 Ca 0.00 0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.60 1met s GLN 2 Cb 0.00 -3.26 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1met s GLN 2 CO 0.00 0.60 -0.21 0.54 -0.55 0.00 0.00 175.29 175.67 1met s VAL 3 N -0.66 1.89 0.66 1.34 0.11 -1.26 -5.12 120.40 117.36 1met s VAL 3 Ca 0.19 -0.90 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1met s VAL 3 Cb -0.14 -1.66 0.04 0.00 -1.53 0.00 0.00 36.38 33.09 1met s VAL 3 CO 0.08 0.52 0.97 0.42 -3.33 0.00 0.00 175.10 173.76 1met s THR 4 N 0.58 2.68 -0.22 5.04 -4.23 -1.26 -5.02 115.64 113.21 1met s THR 4 Ca -0.14 -0.21 0.13 0.00 -1.18 0.00 0.00 61.69 60.29 1met s THR 4 Cb -0.17 -3.13 0.48 0.00 1.34 0.00 0.00 72.50 71.02 1met s THR 4 CO 0.04 -0.13 1.38 0.18 -0.54 0.00 0.00 174.62 175.55 1met n LEU 5 N -2.80 3.67 0.19 4.79 7.99 -1.26 -4.35 117.00 125.23 1met n LEU 5 Ca 0.07 -3.45 0.07 0.00 -0.01 0.00 0.00 56.01 52.70 1met n LEU 5 Cb 0.60 -0.57 0.32 0.00 -0.11 0.00 0.00 43.42 43.66 1met n LEU 5 CO 0.52 1.00 0.69 -0.50 -1.51 0.00 0.00 177.39 177.60 1met h TRP 6 N 1.11 0.00 -3.85 -1.77 4.06 -2.06 -3.43 115.95 110.01 1met h TRP 6 Ca 0.10 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 60.37 1met h TRP 6 Cb 1.44 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 29.39 1met h TRP 6 CO 0.69 0.32 -0.83 -0.65 -3.56 0.00 0.00 178.44 174.41 1met s GLN 7 N -3.48 1.71 -0.15 0.49 1.11 -1.26 -5.08 119.66 113.00 1met s GLN 7 Ca 0.01 -1.20 -0.39 0.00 0.01 0.00 0.00 55.36 53.79 1met s GLN 7 Cb 0.10 -2.05 -0.16 0.00 -1.01 0.00 0.00 33.01 29.88 1met s GLN 7 CO 0.68 0.48 1.56 -2.13 0.01 0.00 0.00 175.29 175.89 1met n ARG 8 N 1.00 1.02 -2.63 2.91 0.63 -1.26 -4.85 116.66 113.47 1met n ARG 8 Ca -0.16 0.37 -0.42 0.00 -0.92 0.00 0.00 57.85 56.72 1met n ARG 8 Cb 0.53 -2.02 -0.03 0.00 0.45 0.00 0.00 32.46 31.39 1met n ARG 8 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1met s PRO 9 N 2.28 3.46 -0.03 -0.14 0.04 -1.26 -4.96 135.00 134.39 1met s PRO 9 Ca 0.94 -0.98 -0.06 0.00 0.04 0.00 0.00 61.00 60.93 1met s PRO 9 Cb -1.07 -4.93 -0.04 0.00 0.04 0.00 0.00 34.50 28.50 1met s PRO 9 CO 0.60 -2.10 0.22 -0.51 0.04 0.00 0.00 177.00 175.24 1met s LEU 10 N 4.75 4.38 0.06 -3.56 1.02 -1.26 -0.97 118.68 123.11 1met s LEU 10 Ca 0.40 0.50 0.04 0.00 0.02 0.00 0.00 54.13 55.08 1met s LEU 10 Cb -0.04 -2.48 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1met s LEU 10 CO -0.03 0.30 -0.11 0.54 0.02 0.00 0.00 176.35 177.08 1met s VAL 11 N -1.22 0.84 0.06 -1.59 0.11 0.84 -4.93 120.40 114.51 1met s VAL 11 Ca 0.24 -1.29 -0.26 0.00 -2.93 0.00 0.00 61.98 57.74 1met s VAL 11 Cb -0.13 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.72 1met s VAL 11 CO 0.13 -0.36 0.81 -0.89 -3.33 0.00 0.00 175.10 171.46 1met s THR 12 N -1.58 4.67 0.22 5.04 2.01 -1.26 0.34 115.64 125.08 1met s THR 12 Ca -0.04 1.72 0.11 0.00 0.31 0.00 0.00 61.69 63.79 1met s THR 12 Cb -0.08 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1met s THR 12 CO 0.01 0.36 -0.20 0.27 -0.69 0.00 0.00 174.62 174.37 1met s ILE 13 N -0.09 2.20 -0.12 1.82 -4.36 0.46 -0.81 121.20 120.31 1met s ILE 13 Ca 0.40 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1met s ILE 13 Cb -0.21 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.38 1met s ILE 13 CO 0.24 -0.34 -0.21 -0.75 0.24 0.00 0.00 174.94 174.13 1met s LYS 14 N -3.17 2.82 -0.05 0.37 2.36 0.17 -1.10 119.74 121.15 1met s LYS 14 Ca 0.24 -0.79 -0.03 0.00 -2.55 0.00 0.00 55.97 52.84 1met s LYS 14 Cb -0.05 -2.25 0.02 0.00 -1.05 0.00 0.00 37.83 34.50 1met s LYS 14 CO 0.11 0.03 0.11 0.42 1.55 0.00 0.00 175.35 177.56 1met s ILE 15 N 0.72 -0.03 -1.71 5.43 1.09 -0.22 -1.15 121.20 125.34 1met s ILE 15 Ca -0.10 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1met s ILE 15 Cb -0.16 -0.17 0.00 0.00 -1.06 0.00 0.00 42.46 41.07 1met s ILE 15 CO 0.01 0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.50 1met n GLY 16 N 3.65 0.83 2.64 6.18 0.00 -1.26 -0.48 105.19 116.76 1met n GLY 16 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.91 0.78 3.46 -0.02 0.00 -1.26 -5.01 105.19 102.24 1met n GLY 17 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.04 1.84 -0.16 1.61 -0.21 0.37 -5.11 119.66 117.94 1met s GLN 18 Ca 0.00 -1.13 -0.08 0.00 0.02 0.00 0.00 55.36 54.16 1met s GLN 18 Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1met s GLN 18 CO 0.00 0.50 0.12 -0.51 -2.12 0.00 0.00 175.29 173.28 1met s LEU 19 N -1.89 4.23 0.21 2.90 1.02 -1.26 -1.06 118.68 122.83 1met s LEU 19 Ca 0.16 0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.57 1met s LEU 19 Cb -0.10 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 44.01 1met s LEU 19 CO 0.08 0.27 0.24 -0.54 0.02 0.00 0.00 176.35 176.43 1met s LYS 20 N -0.22 1.29 0.06 1.70 1.02 -0.26 -4.99 119.74 118.34 1met s LYS 20 Ca 0.10 -1.47 0.05 0.00 0.02 0.00 0.00 55.97 54.67 1met s LYS 20 Cb -0.11 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1met s LYS 20 CO 0.01 -0.46 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.71 1met s GLU 21 N -4.10 2.44 0.05 1.68 2.02 -1.26 -0.40 118.70 119.12 1met s GLU 21 Ca 0.32 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1met s GLU 21 Cb 0.04 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 1met s GLU 21 CO 0.10 0.56 -0.05 0.00 0.02 0.00 0.00 175.26 175.89 1met s ALA 22 N -1.15 0.46 -0.03 5.21 0.00 0.15 -4.52 121.76 121.88 1met s ALA 22 Ca 0.21 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 1met s ALA 22 Cb -0.11 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1met s ALA 22 CO 0.12 -0.20 0.52 -1.17 0.00 0.00 0.00 175.76 175.03 1met s LEU 23 N -2.15 4.39 -0.35 0.00 0.20 -0.18 -0.11 118.68 120.48 1met s LEU 23 Ca -0.04 1.03 -0.25 0.00 0.69 0.00 0.00 54.13 55.56 1met s LEU 23 Cb -0.02 -2.79 0.01 0.00 -0.43 0.00 0.00 46.19 42.96 1met s LEU 23 CO -0.04 0.12 0.87 -0.76 -0.29 0.00 0.00 176.35 176.26 1met s LEU 24 N -0.17 4.04 -0.32 -0.68 1.43 -0.14 -0.41 118.68 122.44 1met s LEU 24 Ca 0.28 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1met s LEU 24 Cb -0.17 -3.19 0.10 0.00 0.03 0.00 0.00 46.19 42.96 1met s LEU 24 CO 0.14 -0.78 0.06 -0.62 0.23 0.00 0.00 176.35 175.39 1met s ASP 25 N 1.79 4.34 0.55 2.29 -1.08 0.11 -4.81 116.67 119.86 1met s ASP 25 Ca 0.36 -1.82 0.36 0.00 -0.52 0.00 0.00 52.55 50.93 1met s ASP 25 Cb -0.13 -1.23 1.66 0.00 -1.46 0.00 0.00 42.92 41.76 1met s ASP 25 CO 0.17 -0.38 2.07 0.71 0.52 0.00 0.00 175.17 178.25 1met h THR 26 N 6.56 0.00 -0.00 1.71 1.35 -1.94 -2.26 112.91 118.33 1met h THR 26 Ca -0.10 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1met h THR 26 Cb 1.02 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1met h THR 26 CO 0.49 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1met n GLY 27 N -0.38 -0.93 3.49 5.82 0.00 -1.26 -4.79 105.19 107.14 1met n GLY 27 Ca -0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.06 2.95 0.16 4.61 0.00 -0.85 -4.98 121.76 121.60 1met s ALA 28 Ca 0.45 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 1met s ALA 28 Cb 0.22 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.88 1met s ALA 28 CO 0.38 0.25 1.42 -0.44 0.00 0.00 0.00 175.76 177.37 1met h ASP 29 N 6.59 0.60 -1.57 0.00 3.32 -1.87 0.41 116.42 123.90 1met h ASP 29 Ca -0.32 -0.38 -0.63 0.00 0.02 0.00 0.00 57.03 55.72 1met h ASP 29 Cb 1.19 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.44 1met h ASP 29 CO 0.61 1.12 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.85 1met s ASP 30 N -6.99 3.91 -0.17 6.45 1.01 -1.26 -1.03 116.67 118.58 1met s ASP 30 Ca -0.07 -1.39 -0.14 0.00 0.71 0.00 0.00 52.55 51.67 1met s ASP 30 Cb 0.10 -0.34 -0.05 0.00 1.01 0.00 0.00 42.92 43.65 1met s ASP 30 CO 0.85 -0.48 0.30 -0.89 0.21 0.00 0.00 175.17 175.16 1met s THR 31 N -2.72 5.29 -0.05 -1.27 2.01 -1.26 -3.34 115.64 114.30 1met s THR 31 Ca 0.33 0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.92 1met s THR 31 Cb 0.09 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1met s THR 31 CO 0.17 0.36 -0.17 0.54 -0.69 0.00 0.00 174.62 174.83 1met s VAL 32 N 0.66 1.42 0.11 3.82 0.11 -0.79 -1.19 120.40 124.55 1met s VAL 32 Ca 0.16 -0.69 0.09 0.00 -2.93 0.00 0.00 61.98 58.61 1met s VAL 32 Cb -0.13 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1met s VAL 32 CO 0.05 0.41 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.30 1met s LEU 33 N 0.19 2.73 0.99 2.54 1.43 0.41 -0.40 118.68 126.57 1met s LEU 33 Ca -0.07 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1met s LEU 33 Cb -0.13 -1.58 0.19 0.00 0.03 0.00 0.00 46.19 44.70 1met s LEU 33 CO 0.03 0.18 1.10 -1.83 0.23 0.00 0.00 176.35 176.06 1met s GLU 34 N -2.12 0.45 0.33 1.70 -1.05 -1.26 -0.73 118.70 116.03 1met s GLU 34 Ca 0.18 1.23 -0.29 0.00 -0.15 0.00 0.00 54.97 55.95 1met s GLU 34 Cb -0.11 -1.68 -0.10 0.00 -0.44 0.00 0.00 34.13 31.80 1met s GLU 34 CO 0.10 -2.91 1.28 -2.00 0.95 0.00 0.00 175.26 172.67 1met s GLU 35 N -4.62 4.39 -0.09 -4.83 -6.30 -1.04 -4.34 118.70 101.86 1met s GLU 35 Ca 0.67 2.15 -0.30 0.00 -2.50 0.00 0.00 54.97 54.99 1met s GLU 35 Cb -0.23 -3.08 0.11 0.00 0.00 0.00 0.00 34.13 30.94 1met s GLU 35 CO 0.60 -0.14 0.93 1.41 0.02 0.00 0.00 175.26 178.08 1met s MET 36 N -1.76 0.72 -0.31 4.30 -2.45 -1.26 -5.00 119.30 113.55 1met s MET 36 Ca 0.48 -0.01 -0.28 0.00 -1.25 0.00 0.00 55.69 54.64 1met s MET 36 Cb -0.39 0.34 0.01 0.00 1.25 0.00 0.00 34.83 36.04 1met s MET 36 CO 0.51 -0.26 1.00 -1.12 1.05 0.00 0.00 175.02 176.20 1met s SER 37 N -1.62 6.88 -0.02 1.11 0.01 -1.26 -5.01 113.70 113.78 1met s SER 37 Ca -0.00 0.97 0.04 0.00 1.31 0.00 0.00 55.95 58.27 1met s SER 37 Cb -0.01 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1met s SER 37 CO -0.01 -0.80 -0.14 -0.22 0.41 0.00 0.00 173.24 172.48 1met s LEU 38 N 3.45 1.96 0.45 2.44 2.96 -1.26 -4.95 118.68 123.73 1met s LEU 38 Ca 0.42 -0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1met s LEU 38 Cb -0.13 -0.73 -0.08 0.00 0.50 0.00 0.00 46.19 45.75 1met s LEU 38 CO 0.14 0.15 0.90 -2.16 -1.32 0.00 0.00 176.35 174.06 1met s PRO 39 N -0.17 3.96 0.00 0.98 0.04 -1.26 -5.01 135.00 133.54 1met s PRO 39 Ca 0.02 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1met s PRO 39 Cb -0.07 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1met s PRO 39 CO 0.00 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1met n GLY 40 N -1.21 1.76 3.86 0.56 0.00 -1.26 -5.02 105.19 103.88 1met n GLY 40 Ca 0.05 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1met n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1met s ARG 41 N -1.46 3.36 0.12 1.61 1.04 -1.26 -5.07 118.95 117.28 1met s ARG 41 Ca 0.00 0.77 -0.12 0.00 -1.04 0.00 0.00 55.73 55.33 1met s ARG 41 Cb 0.00 -2.05 0.02 0.00 -2.04 0.00 0.00 34.95 30.87 1met s ARG 41 CO 0.00 -0.75 0.31 1.67 -0.04 0.00 0.00 175.30 176.49 1met s TRP 42 N -3.17 0.00 0.11 5.89 1.48 -1.26 -4.67 118.94 117.33 1met s TRP 42 Ca 0.56 -0.38 0.08 0.00 -1.06 0.00 0.00 56.10 55.31 1met s TRP 42 Cb -0.12 0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.26 1met s TRP 42 CO 0.54 -0.65 -0.14 0.15 -4.06 0.00 0.00 176.95 172.79 1met s LYS 43 N -3.85 1.94 0.55 3.25 -0.14 0.42 -4.89 119.74 117.02 1met s LYS 43 Ca 0.05 -1.11 -0.17 0.00 -1.36 0.00 0.00 55.97 53.38 1met s LYS 43 Cb 0.03 -2.20 -0.06 0.00 -1.68 0.00 0.00 37.83 33.93 1met s LYS 43 CO -0.10 0.49 1.04 -1.25 -0.76 0.00 0.00 175.35 174.77 1met s PRO 44 N -2.17 3.56 0.14 -1.68 0.04 -1.26 0.86 135.00 134.48 1met s PRO 44 Ca 0.19 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 1met s PRO 44 Cb -0.11 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1met s PRO 44 CO 0.12 -0.61 0.46 0.21 0.04 0.00 0.00 177.00 177.22 1met s LYS 45 N -3.88 1.15 0.04 4.56 2.47 0.67 -4.81 119.74 119.94 1met s LYS 45 Ca 0.63 -0.67 0.07 0.00 -1.56 0.00 0.00 55.97 54.44 1met s LYS 45 Cb -0.15 0.50 -0.02 0.00 -1.46 0.00 0.00 37.83 36.70 1met s LYS 45 CO 0.32 -0.47 -0.19 -1.64 0.16 0.00 0.00 175.35 173.52 1met s MET 46 N -3.80 1.29 0.10 4.03 -1.94 -1.26 0.35 119.30 118.08 1met s MET 46 Ca 0.03 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.20 1met s MET 46 Cb 0.01 -1.38 -0.03 0.00 2.01 0.00 0.00 34.83 35.44 1met s MET 46 CO -0.11 0.35 -0.20 0.96 -0.01 0.00 0.00 175.02 176.01 1met s ILE 47 N -0.80 1.66 0.03 2.53 -4.36 -0.06 -4.94 121.20 115.26 1met s ILE 47 Ca 0.06 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1met s ILE 47 Cb -0.09 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1met s ILE 47 CO 0.02 -0.09 -0.04 -0.83 0.24 0.00 0.00 174.94 174.24 1met s GLY 48 N -1.94 1.83 0.00 6.27 0.00 -1.26 -0.81 107.32 111.42 1met s GLY 48 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1met s GLY 48 CO 0.04 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.80 1met n GLY 49 N 1.18 5.63 3.71 0.20 0.00 0.39 -4.99 105.19 111.30 1met n GLY 49 Ca -0.14 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1met n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1met s ILE 50 N 0.21 3.96 0.00 -0.61 1.09 -1.26 -3.50 121.20 121.09 1met s ILE 50 Ca 0.00 1.39 0.00 0.00 -1.10 0.00 0.00 60.65 60.94 1met s ILE 50 Cb 0.00 -3.89 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1met s ILE 50 CO 0.00 0.09 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 1met n GLY 51 N 3.29 3.09 0.00 6.18 0.00 -1.26 -4.99 105.19 111.50 1met n GLY 51 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.49 3.64 -0.02 0.00 -1.23 -5.12 105.19 101.98 1met n GLY 52 Ca 0.00 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1met n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1met s PHE 53 N -3.00 3.00 0.19 1.61 0.40 -1.26 -0.46 117.98 118.45 1met s PHE 53 Ca 0.00 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1met s PHE 53 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1met s PHE 53 CO 0.00 0.41 -0.16 0.96 0.70 0.00 0.00 175.22 177.13 1met s ILE 54 N -0.99 1.77 0.06 0.64 -4.36 0.01 -4.94 121.20 113.39 1met s ILE 54 Ca 0.17 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.38 1met s ILE 54 Cb -0.11 -1.94 -0.06 0.00 1.25 0.00 0.00 42.46 41.60 1met s ILE 54 CO 0.07 -0.47 0.40 -0.75 0.24 0.00 0.00 174.94 174.43 1met s LYS 55 N -3.24 3.79 0.07 0.37 2.20 -1.26 -0.88 119.74 120.78 1met s LYS 55 Ca 0.19 0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.93 1met s LYS 55 Cb -0.03 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1met s LYS 55 CO 0.07 0.59 0.21 0.54 -0.36 0.00 0.00 175.35 176.40 1met s VAL 56 N -1.32 0.12 -0.11 4.02 0.11 0.16 -4.50 120.40 118.89 1met s VAL 56 Ca 0.30 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 1met s VAL 56 Cb -0.14 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1met s VAL 56 CO 0.17 -0.56 0.00 -0.13 -3.33 0.00 0.00 175.10 171.25 1met s ARG 57 N -3.25 3.20 -0.18 1.54 0.52 0.15 -0.24 118.95 120.68 1met s ARG 57 Ca 0.00 -0.42 -0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1met s ARG 57 Cb 0.02 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1met s ARG 57 CO -0.08 0.59 0.03 -1.14 0.02 0.00 0.00 175.30 174.72 1met s GLN 58 N -0.56 3.83 -0.10 3.54 0.74 0.25 -0.49 119.66 126.87 1met s GLN 58 Ca 0.10 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.12 1met s GLN 58 Cb -0.12 -3.13 -0.01 0.00 1.10 0.00 0.00 33.01 30.85 1met s GLN 58 CO 0.02 0.20 -0.20 0.71 -0.55 0.00 0.00 175.29 175.47 1met s TYR 59 N 0.54 2.62 0.32 1.67 1.51 -0.64 -0.44 117.35 122.93 1met s TYR 59 Ca 0.01 -0.81 0.07 0.00 -1.01 0.00 0.00 57.07 55.33 1met s TYR 59 Cb -0.13 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1met s TYR 59 CO 0.02 -0.28 0.35 -0.51 -1.11 0.00 0.00 175.55 174.02 1met s ASP 60 N 0.18 5.64 -1.31 2.29 1.01 -1.26 -1.36 116.67 121.86 1met s ASP 60 Ca -0.12 -0.31 -0.06 0.00 0.71 0.00 0.00 52.55 52.77 1met s ASP 60 Cb -0.16 -1.18 0.01 0.00 1.01 0.00 0.00 42.92 42.60 1met s ASP 60 CO 0.06 -0.33 1.10 0.00 0.21 0.00 0.00 175.17 176.22 1met n GLN 61 N -1.45 -7.35 -3.84 8.23 1.13 -1.10 -4.86 117.38 108.13 1met n GLN 61 Ca -0.02 0.82 -0.36 0.00 -1.94 0.00 0.00 57.00 55.50 1met n GLN 61 Cb 0.59 -5.85 -0.07 0.00 0.11 0.00 0.00 30.24 25.02 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 -3.34 5.42 -0.04 5.09 -1.09 0.20 -4.72 121.20 122.71 1met s ILE 62 Ca 0.37 0.18 -0.23 0.00 -2.23 0.00 0.00 60.65 58.74 1met s ILE 62 Cb -0.17 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1met s ILE 62 CO 0.74 0.55 0.71 -0.22 -1.23 0.00 0.00 174.94 175.48 1met s LEU 63 N -0.47 4.35 0.01 2.97 2.96 -1.26 -1.12 118.68 126.12 1met s LEU 63 Ca 0.12 1.24 0.04 0.00 -0.22 0.00 0.00 54.13 55.30 1met s LEU 63 Cb -0.12 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.46 1met s LEU 63 CO 0.02 -0.08 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.22 1met s ILE 64 N 0.57 0.94 -0.23 6.68 1.01 -0.45 -4.49 121.20 125.24 1met s ILE 64 Ca 0.37 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1met s ILE 64 Cb -0.18 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1met s ILE 64 CO 0.19 0.12 -0.04 -1.61 0.00 0.00 0.00 174.94 173.60 1met s GLU 65 N -0.66 3.34 -0.25 2.79 2.02 -0.30 -0.60 118.70 125.03 1met s GLU 65 Ca 0.02 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 1met s GLU 65 Cb -0.06 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 31.15 1met s GLU 65 CO 0.00 -0.22 -0.03 0.42 0.02 0.00 0.00 175.26 175.45 1met s ILE 66 N 1.48 3.20 0.00 -1.63 1.01 0.70 -0.65 121.20 125.31 1met s ILE 66 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1met s ILE 66 Cb -0.14 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1met s ILE 66 CO -0.03 0.23 0.00 0.00 0.00 0.00 0.00 174.94 175.14 1met n GLY 68 N 0.00 5.65 3.02 0.00 0.00 -1.26 -4.90 105.19 107.70 1met n GLY 68 Ca 0.00 -2.54 -0.18 0.00 0.00 0.00 0.00 46.02 43.30 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 -4.00 0.78 0.00 1.61 4.02 -0.95 -5.13 115.29 111.62 1met s HIS 69 Ca 0.50 -0.17 -0.01 0.00 1.02 0.00 0.00 55.06 56.40 1met s HIS 69 Cb 0.41 -0.50 -0.04 0.00 -1.02 0.00 0.00 32.58 31.44 1met s HIS 69 CO -0.35 -0.01 0.12 0.15 1.02 0.00 0.00 174.74 175.66 1met s LYS 70 N -0.32 3.18 0.08 1.40 1.02 -1.26 -0.21 119.74 123.63 1met s LYS 70 Ca 0.02 -0.45 -0.03 0.00 0.02 0.00 0.00 55.97 55.53 1met s LYS 70 Cb -0.04 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1met s LYS 70 CO -0.00 0.65 0.06 0.00 -0.92 0.00 0.00 175.35 175.13 1met s ALA 71 N -1.27 0.34 -0.03 5.17 0.00 0.23 -4.92 121.76 121.28 1met s ALA 71 Ca 0.25 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1met s ALA 71 Cb -0.12 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1met s ALA 71 CO 0.17 -0.44 0.01 -1.50 0.00 0.00 0.00 175.76 174.00 1met s ILE 72 N -3.93 0.08 -0.32 0.00 2.07 -1.26 -1.34 121.20 116.50 1met s ILE 72 Ca 0.10 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1met s ILE 72 Cb 0.07 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.45 1met s ILE 72 CO -0.08 0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1met n GLY 73 N 4.25 -1.23 3.72 1.50 0.00 -0.28 -4.84 105.19 108.31 1met n GLY 73 Ca -0.25 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.57 3.78 0.06 2.61 2.01 -1.26 -0.62 115.64 119.65 1met s THR 74 Ca 0.00 1.37 0.07 0.00 0.31 0.00 0.00 61.69 63.44 1met s THR 74 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1met s THR 74 CO 0.00 0.15 -0.20 0.68 -0.69 0.00 0.00 174.62 174.56 1met s VAL 75 N 0.58 1.62 -0.17 3.82 -7.23 -0.46 -4.53 120.40 114.03 1met s VAL 75 Ca 0.57 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1met s VAL 75 Cb -0.31 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 1met s VAL 75 CO 0.32 0.10 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.41 1met s LEU 76 N -1.41 3.12 -0.02 1.32 1.02 -0.33 -1.62 118.68 120.76 1met s LEU 76 Ca 0.06 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.02 1met s LEU 76 Cb -0.09 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 1met s LEU 76 CO 0.02 0.11 -0.06 -0.69 0.02 0.00 0.00 176.35 175.75 1met s VAL 77 N 0.71 3.70 -2.46 -1.59 1.01 0.36 -0.44 120.40 121.70 1met s VAL 77 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1met s VAL 77 Cb -0.15 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1met s VAL 77 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1met n GLY 78 N 1.78 -1.46 3.11 4.51 0.00 0.10 -0.67 105.19 112.56 1met n GLY 78 Ca -0.16 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.10 3.33 -3.87 1.61 -0.04 -1.26 -2.51 135.00 132.16 1met n PRO 79 Ca 0.00 -3.39 -0.28 0.00 -0.04 0.00 0.00 63.50 59.80 1met n PRO 79 Cb 0.00 -3.12 -0.03 0.00 -0.04 0.00 0.00 33.50 30.30 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 1.88 5.31 0.19 0.52 -1.32 -1.26 -5.01 115.64 115.94 1met s THR 80 Ca 0.44 -0.51 0.25 0.00 -1.21 0.00 0.00 61.69 60.66 1met s THR 80 Cb 0.06 -3.71 0.24 0.00 -1.51 0.00 0.00 72.50 67.59 1met s THR 80 CO -0.00 -0.05 1.87 -0.65 -2.21 0.00 0.00 174.62 173.58 1met h PRO 81 N 2.37 0.00 -3.88 7.08 0.11 -1.99 -3.43 132.00 132.27 1met h PRO 81 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1met h PRO 81 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.12 1met h PRO 81 CO 0.70 0.21 -0.57 -0.06 -0.21 0.00 0.00 178.00 178.08 1met s PHE 82 N -3.74 0.25 0.09 0.65 0.08 -1.26 -5.06 117.98 108.98 1met s PHE 82 Ca -0.00 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.18 1met s PHE 82 Cb 0.11 -0.18 -0.05 0.00 -0.57 0.00 0.00 43.02 42.33 1met s PHE 82 CO 0.63 -0.34 0.95 -0.80 -0.10 0.00 0.00 175.22 175.56 1met s ASN 83 N -2.12 7.46 -0.12 1.36 0.01 -1.26 -4.57 114.94 115.70 1met s ASN 83 Ca -0.05 1.75 0.02 0.00 -0.71 0.00 0.00 52.86 53.86 1met s ASN 83 Cb -0.01 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1met s ASN 83 CO -0.05 -0.10 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.65 1met s ILE 84 N 0.18 1.66 -0.31 0.60 -1.09 0.46 -1.01 121.20 121.69 1met s ILE 84 Ca 0.47 -0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 58.03 1met s ILE 84 Cb -0.23 -1.50 -0.03 0.00 -1.58 0.00 0.00 42.46 39.12 1met s ILE 84 CO 0.29 0.47 0.25 -0.63 -1.23 0.00 0.00 174.94 174.09 1met s ILE 85 N 0.92 5.27 0.03 2.92 -1.09 0.45 -1.88 121.20 127.82 1met s ILE 85 Ca -0.07 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 1met s ILE 85 Cb -0.15 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1met s ILE 85 CO -0.01 0.11 0.03 0.61 -1.23 0.00 0.00 174.94 174.44 1met n GLY 86 N 5.01 2.64 0.22 6.18 0.00 -1.21 -0.72 105.19 117.32 1met n GLY 86 Ca -0.12 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 43.80 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 0.00 -0.98 1.61 3.08 0.05 -2.01 114.38 116.12 1met h ARG 87 Ca -0.02 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.26 1met h ARG 87 Cb 0.06 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 1met h ARG 87 CO 0.02 0.24 0.63 -2.95 -1.07 0.00 0.00 179.97 176.84 1met h ASN 88 N 0.00 0.51 0.15 7.04 -1.07 -1.33 -1.76 115.58 119.11 1met h ASN 88 Ca -0.00 0.07 -0.24 0.00 0.07 0.00 0.00 56.30 56.20 1met h ASN 88 Cb 0.46 -0.02 -0.04 0.00 -2.07 0.00 0.00 38.32 36.65 1met h ASN 88 CO 0.03 0.16 -2.09 0.18 0.07 0.00 0.00 177.43 175.78 1met n LEU 89 N -4.61 0.20 0.19 6.14 4.77 -0.81 -4.24 117.00 118.64 1met n LEU 89 Ca 0.23 0.09 0.05 0.00 -0.03 0.00 0.00 56.01 56.34 1met n LEU 89 Cb 0.74 0.28 0.48 0.00 -2.33 0.00 0.00 43.42 42.60 1met n LEU 89 CO 0.27 0.31 0.92 -0.07 -1.33 0.00 0.00 177.39 177.48 1met h LEU 90 N 0.00 0.07 -1.37 2.23 3.38 -1.13 0.13 115.31 118.61 1met h LEU 90 Ca -0.33 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1met h LEU 90 Cb 1.81 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1met h LEU 90 CO 0.03 0.22 -0.27 0.71 0.09 0.00 0.00 178.44 179.22 1met h THR 91 N 0.07 1.21 0.01 0.22 1.35 -1.52 0.48 112.91 114.74 1met h THR 91 Ca 0.02 -1.00 -0.22 0.00 -0.55 0.00 0.00 66.41 64.66 1met h THR 91 Cb 0.30 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1met h THR 91 CO 0.02 0.29 -0.95 1.56 -0.25 0.00 0.00 175.52 176.19 1met h GLN 92 N 0.07 0.35 -0.32 4.72 4.20 -0.95 -2.67 115.11 120.50 1met h GLN 92 Ca 0.01 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1met h GLN 92 Cb 0.51 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1met h GLN 92 CO 0.04 1.08 0.00 0.44 -0.67 0.00 0.00 178.83 179.72 1met n ILE 93 N -3.71 0.38 -1.87 2.54 -5.35 -0.76 -4.91 119.36 105.69 1met n ILE 93 Ca -0.06 -0.32 -0.07 0.00 -0.27 0.00 0.00 62.75 62.03 1met n ILE 93 Cb 0.84 0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.79 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 0.75 0.33 3.72 3.28 0.00 -1.01 -4.98 105.19 107.28 1met n GLY 94 Ca 0.08 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 0.78 2.67 -0.10 0.00 2.01 -1.26 -4.75 115.64 114.99 1met s THR 96 Ca 0.53 -1.63 -0.02 0.00 0.31 0.00 0.00 61.69 60.88 1met s THR 96 Cb -0.25 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1met s THR 96 CO 0.29 0.06 0.01 -0.22 -0.69 0.00 0.00 174.62 174.07 1met s LEU 97 N -2.23 3.60 -0.03 4.42 2.96 -1.26 -5.09 118.68 121.06 1met s LEU 97 Ca 0.18 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1met s LEU 97 Cb -0.10 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1met s LEU 97 CO 0.09 0.35 0.06 0.21 -1.32 0.00 0.00 176.35 175.75 1met s ASN 98 N -0.73 -0.02 0.00 3.68 2.47 -1.26 -5.29 114.94 113.79 1met s ASN 98 Ca 0.11 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1met s ASN 98 Cb -0.12 0.06 0.00 0.00 -1.45 0.00 0.00 41.25 39.74 1met s ASN 98 CO 0.02 -0.08 0.00 2.22 -3.72 0.00 0.00 177.10 175.54