#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsg n GLY 9 N 0.00 -1.62 3.67 2.61 0.00 -1.26 -4.79 105.19 103.81 3dsg n GLY 9 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 3dsg n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dsg s ILE 10 N -0.70 4.95 -0.22 -0.61 1.01 -1.26 -4.46 121.20 119.91 3dsg s ILE 10 Ca 0.00 1.45 -0.16 0.00 0.00 0.00 0.00 60.65 61.93 3dsg s ILE 10 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3dsg s ILE 10 CO 0.00 0.08 0.43 -0.22 0.00 0.00 0.00 174.94 175.23 3dsg s LEU 11 N 1.90 4.11 0.08 2.97 2.96 -0.53 -4.98 118.68 125.20 3dsg s LEU 11 Ca 0.35 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 3dsg s LEU 11 Cb -0.16 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3dsg s LEU 11 CO 0.12 -0.15 0.05 -0.55 -1.32 0.00 0.00 176.35 174.51 3dsg s SER 12 N 1.26 5.37 -0.19 3.68 0.15 -1.26 -0.51 113.70 122.21 3dsg s SER 12 Ca 0.19 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.74 3dsg s SER 12 Cb -0.15 -1.40 0.09 0.00 -1.71 0.00 0.00 66.02 62.85 3dsg s SER 12 CO 0.09 0.17 0.23 -0.22 1.20 0.00 0.00 173.24 174.71 3dsg s LEU 13 N -2.37 -0.14 -0.18 3.45 2.96 -0.67 -4.93 118.68 116.79 3dsg s LEU 13 Ca 0.28 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3dsg s LEU 13 Cb -0.12 0.43 -0.01 0.00 0.50 0.00 0.00 46.19 47.00 3dsg s LEU 13 CO 0.21 -0.31 -0.10 0.00 -1.32 0.00 0.00 176.35 174.83 3dsg s ALA 14 N 2.34 2.66 -0.35 5.97 0.00 -1.26 -1.62 121.76 129.50 3dsg s ALA 14 Ca 0.06 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 3dsg s ALA 14 Cb -0.15 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.54 3dsg s ALA 14 CO -0.11 -0.19 0.17 -0.51 0.00 0.00 0.00 175.76 175.12 3dsg s LEU 15 N 1.07 4.46 0.26 0.00 1.43 0.10 -4.98 118.68 121.03 3dsg s LEU 15 Ca 0.00 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 3dsg s LEU 15 Cb -0.15 -1.99 0.35 0.00 0.03 0.00 0.00 46.19 44.44 3dsg s LEU 15 CO -0.02 -0.32 1.69 0.50 0.23 0.00 0.00 176.35 178.44 3dsg h LYS 16 N 8.38 0.54 -3.85 1.70 3.64 -1.92 -3.06 116.57 122.01 3dsg h LYS 16 Ca -0.27 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 3dsg h LYS 16 Cb 1.11 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 3dsg h LYS 16 CO 0.64 0.75 -0.15 0.16 -2.27 0.00 0.00 179.45 178.58 3dsg s ASP 17 N -6.80 0.31 0.49 4.20 1.47 -1.26 -4.30 116.67 110.78 3dsg s ASP 17 Ca -0.07 -1.19 0.18 0.00 1.18 0.00 0.00 52.55 52.64 3dsg s ASP 17 Cb 0.14 0.62 1.19 0.00 -0.34 0.00 0.00 42.92 44.52 3dsg s ASP 17 CO 0.80 -1.22 2.06 0.11 0.68 0.00 0.00 175.17 177.60 3dsg h LYS 18 N 2.21 0.00 -0.75 2.11 1.57 -1.95 -0.67 116.57 119.09 3dsg h LYS 18 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3dsg h LYS 18 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 3dsg h LYS 18 CO 0.38 0.12 0.42 0.00 -0.57 0.00 0.00 179.45 179.80 3dsg h ALA 19 N 1.88 0.96 -0.13 3.86 0.00 -1.99 -1.52 119.26 122.32 3dsg h ALA 19 Ca -0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3dsg h ALA 19 Cb 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dsg h ALA 19 CO 0.02 0.46 -0.69 0.00 0.00 0.00 0.00 179.25 179.04 3dsg h ALA 20 N 1.21 0.55 -0.07 0.00 0.00 -1.52 -2.24 119.26 117.19 3dsg h ALA 20 Ca 0.26 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3dsg h ALA 20 Cb 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3dsg h ALA 20 CO -0.04 0.72 -0.32 1.25 0.00 0.00 0.00 179.25 180.86 3dsg h LEU 21 N 0.39 -0.99 -0.86 0.00 5.85 -1.36 -2.00 115.31 116.35 3dsg h LEU 21 Ca -0.02 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3dsg h LEU 21 Cb 1.27 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 3dsg h LEU 21 CO 0.13 -0.37 0.53 0.22 -0.34 0.00 0.00 178.44 178.61 3dsg h TYR 22 N -0.43 0.98 0.17 1.25 5.03 -1.01 -2.03 116.97 120.93 3dsg h TYR 22 Ca 0.08 0.03 -0.30 0.00 2.58 0.00 0.00 58.73 61.12 3dsg h TYR 22 Cb 0.55 -0.31 0.02 0.00 1.55 0.00 0.00 36.73 38.54 3dsg h TYR 22 CO -0.38 0.49 -1.31 0.66 -1.32 0.00 0.00 178.16 176.30 3dsg h SER 23 N 0.96 0.63 -0.20 -2.11 4.64 -1.11 -3.35 113.55 113.01 3dsg h SER 23 Ca 0.38 -0.65 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 3dsg h SER 23 Cb 0.19 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3dsg h SER 23 CO -0.18 1.50 -0.40 0.00 -0.87 0.00 0.00 176.83 176.88 3dsg h ALA 24 N 0.41 0.72 -3.00 5.18 0.00 -1.27 -3.48 119.26 117.83 3dsg h ALA 24 Ca -0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3dsg h ALA 24 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3dsg h ALA 24 CO 0.23 0.66 0.00 0.98 0.00 0.00 0.00 179.25 181.12 3dsg n TYR 25 N -4.04 -1.93 -0.06 0.00 -0.00 -0.77 -1.21 117.16 109.14 3dsg n TYR 25 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 3dsg n TYR 25 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 3dsg n TYR 25 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 3dsg n PRO 27 N -1.85 0.00 0.25 2.98 -0.04 -1.26 -4.91 135.00 130.17 3dsg n PRO 27 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3dsg n PRO 27 Cb 0.00 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 33.96 3dsg n PRO 27 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3dsg h PHE 28 N 0.00 0.00 -3.46 0.54 -0.00 -1.98 -3.45 116.94 108.59 3dsg h PHE 28 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.97 57.45 3dsg h PHE 28 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 3dsg h PHE 28 CO 0.00 0.06 0.48 0.08 -0.00 0.00 0.00 178.31 178.93 3dsg s VAL 29 N -3.53 4.03 0.06 0.88 1.01 -1.26 -5.01 120.40 116.58 3dsg s VAL 29 Ca 0.03 1.64 -0.35 0.00 0.00 0.00 0.00 61.98 63.30 3dsg s VAL 29 Cb 0.08 -4.05 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 3dsg s VAL 29 CO 0.60 0.23 1.65 0.29 0.00 0.00 0.00 175.10 177.86 3dsg n LYS 30 N 2.91 2.01 -1.22 2.72 5.02 -1.26 -0.78 118.16 127.55 3dsg n LYS 30 Ca 0.04 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 56.99 3dsg n LYS 30 Cb 0.47 -2.50 -0.03 0.00 -0.02 0.00 0.00 35.03 32.94 3dsg n LYS 30 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dsg n SER 31 N 4.35 -4.46 0.00 4.39 7.64 -1.26 -4.65 113.62 119.62 3dsg n SER 31 Ca 0.19 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.26 3dsg n SER 31 Cb 0.27 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 3dsg n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dsg n GLY 32 N -1.34 -2.53 3.78 0.23 0.00 0.04 -4.54 105.19 100.83 3dsg n GLY 32 Ca -0.08 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 3dsg n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dsg s GLY 33 N -3.60 0.38 -0.19 -0.02 0.00 -1.26 -1.98 107.32 100.64 3dsg s GLY 33 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 3dsg s GLY 33 CO 0.00 -0.34 0.86 -1.50 0.00 0.00 0.00 173.10 172.12 3dsg s ILE 34 N -2.74 0.00 -0.31 0.90 2.07 -0.65 -4.57 121.20 115.90 3dsg s ILE 34 Ca 0.16 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.28 3dsg s ILE 34 Cb -0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 3dsg s ILE 34 CO 0.11 0.00 0.21 0.12 -1.91 0.00 0.00 174.94 173.47 3dsg s PHE 35 N -0.41 3.22 -0.26 3.50 2.19 -0.35 -0.72 117.98 125.15 3dsg s PHE 35 Ca -0.02 -0.10 -0.01 0.00 0.33 0.00 0.00 56.93 57.12 3dsg s PHE 35 Cb -0.03 -2.42 0.03 0.00 -1.31 0.00 0.00 43.02 39.30 3dsg s PHE 35 CO 0.02 -0.28 -0.06 0.08 1.83 0.00 0.00 175.22 176.80 3dsg s VAL 36 N 1.73 2.75 0.17 3.12 1.01 0.18 -4.84 120.40 124.51 3dsg s VAL 36 Ca 0.06 -1.17 -0.32 0.00 0.00 0.00 0.00 61.98 60.55 3dsg s VAL 36 Cb -0.17 -2.45 -0.11 0.00 0.00 0.00 0.00 36.38 33.66 3dsg s VAL 36 CO 0.10 0.13 1.63 -2.84 0.00 0.00 0.00 175.10 174.12 3dsg s PRO 37 N 1.28 4.18 -0.25 2.72 0.02 -1.26 -1.68 135.00 140.01 3dsg s PRO 37 Ca -0.02 2.45 -0.26 0.00 0.02 0.00 0.00 61.00 63.18 3dsg s PRO 37 Cb -0.17 -3.19 0.12 0.00 0.02 0.00 0.00 34.50 31.28 3dsg s PRO 37 CO -0.04 -0.67 1.01 -0.08 -0.33 0.00 0.00 177.00 176.88 3dsg s THR 38 N 1.35 0.00 -1.34 0.99 -1.32 -0.74 -4.90 115.64 109.67 3dsg s THR 38 Ca 0.72 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.38 3dsg s THR 38 Cb -0.45 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.10 3dsg s THR 38 CO 0.32 0.00 1.48 -0.81 -2.21 0.00 0.00 174.62 173.39 3dsg n PRO 39 N 1.81 3.05 -1.76 7.08 -0.04 -1.26 -2.82 135.00 141.06 3dsg n PRO 39 Ca -0.12 -2.56 -0.31 0.00 -0.04 0.00 0.00 63.50 60.46 3dsg n PRO 39 Cb 0.56 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3dsg n PRO 39 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3dsg s LYS 40 N -1.33 3.22 -0.06 0.54 1.02 -1.26 -5.05 119.74 116.82 3dsg s LYS 40 Ca 0.42 0.94 -0.01 0.00 0.02 0.00 0.00 55.97 57.34 3dsg s LYS 40 Cb 0.24 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 3dsg s LYS 40 CO 0.25 -0.88 0.00 1.03 -0.92 0.00 0.00 175.35 174.83 3dsg s ARG 41 N -4.89 2.92 0.00 1.68 0.52 -1.26 -4.95 118.95 112.98 3dsg s ARG 41 Ca 0.58 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3dsg s ARG 41 Cb -0.13 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.59 3dsg s ARG 41 CO 0.51 0.68 0.00 0.66 0.02 0.00 0.00 175.30 177.17 3dsg n TYR 42 N 1.91 -0.01 -3.56 -0.53 4.01 -1.26 -4.97 117.16 112.77 3dsg n TYR 42 Ca -0.17 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.20 3dsg n TYR 42 Cb 0.53 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 3dsg n TYR 42 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3dsg s LEU 44 N 0.00 4.13 0.00 7.72 1.02 -1.26 -5.01 118.68 125.28 3dsg s LEU 44 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.43 3dsg s LEU 44 Cb 0.00 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 43.94 3dsg s LEU 44 CO 0.00 0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.99 3dsg n GLY 45 N 4.11 0.34 3.70 -3.19 0.00 -0.79 -5.02 105.19 104.34 3dsg n GLY 45 Ca -0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 3dsg n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dsg n ASP 46 N 0.00 3.38 -4.68 1.61 8.00 -1.26 -4.67 116.55 118.93 3dsg n ASP 46 Ca 0.00 1.12 -0.51 0.00 0.71 0.00 0.00 54.79 56.10 3dsg n ASP 46 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.54 3dsg n ASP 46 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dsg n GLU 47 N 2.74 1.77 -4.35 -1.24 1.02 -1.26 -0.78 120.64 118.54 3dsg n GLU 47 Ca 0.13 0.65 -0.19 0.00 -0.02 0.00 0.00 57.16 57.73 3dsg n GLU 47 Cb 0.33 -2.42 -0.14 0.00 -0.02 0.00 0.00 31.44 29.19 3dsg n GLU 47 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dsg s VAL 48 N 3.22 0.81 -0.28 2.62 0.11 0.19 -4.90 120.40 122.17 3dsg s VAL 48 Ca 0.92 -0.61 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 3dsg s VAL 48 Cb -0.83 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 3dsg s VAL 48 CO 0.54 0.10 0.23 0.12 -3.33 0.00 0.00 175.10 172.76 3dsg s PHE 49 N -0.49 3.23 -0.09 1.54 5.36 -1.26 -1.43 117.98 124.84 3dsg s PHE 49 Ca 0.02 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.19 3dsg s PHE 49 Cb -0.05 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 3dsg s PHE 49 CO 0.00 -0.16 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.32 3dsg s LEU 50 N 1.79 2.90 -0.24 6.12 2.96 -0.28 -1.45 118.68 130.49 3dsg s LEU 50 Ca 0.09 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3dsg s LEU 50 Cb -0.16 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.92 3dsg s LEU 50 CO 0.10 0.28 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.11 3dsg s LEU 51 N -0.30 3.05 -0.15 -0.68 0.20 0.34 -0.51 118.68 120.63 3dsg s LEU 51 Ca 0.03 -0.82 0.02 0.00 0.69 0.00 0.00 54.13 54.05 3dsg s LEU 51 Cb -0.13 -1.65 0.01 0.00 -0.43 0.00 0.00 46.19 44.00 3dsg s LEU 51 CO 0.03 -0.11 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.55 3dsg s LEU 52 N 1.33 2.11 -0.34 -0.68 2.96 0.25 -1.67 118.68 122.64 3dsg s LEU 52 Ca 0.01 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 3dsg s LEU 52 Cb -0.16 -1.45 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3dsg s LEU 52 CO -0.05 0.06 0.20 -0.89 -1.32 0.00 0.00 176.35 174.35 3dsg s THR 53 N 0.93 4.88 0.28 3.68 2.01 -0.64 -0.40 115.64 126.37 3dsg s THR 53 Ca -0.04 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 3dsg s THR 53 Cb -0.15 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 3dsg s THR 53 CO -0.05 -0.04 0.97 -0.76 -0.69 0.00 0.00 174.62 174.05 3dsg s LEU 54 N 1.65 4.53 0.26 4.42 1.43 -1.26 0.02 118.68 129.73 3dsg s LEU 54 Ca 0.05 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 3dsg s LEU 54 Cb -0.18 -3.75 -0.14 0.00 0.03 0.00 0.00 46.19 42.15 3dsg s LEU 54 CO 0.08 0.02 1.16 -2.65 0.23 0.00 0.00 176.35 175.19 3dsg n PRO 55 N 1.12 1.55 -3.28 1.29 -0.02 -1.16 -0.84 135.00 133.66 3dsg n PRO 55 Ca -0.00 0.55 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 3dsg n PRO 55 Cb 0.48 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 3dsg n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dsg n ASP 56 N 1.50 -2.77 -4.97 2.55 8.00 -1.26 -4.94 116.55 114.68 3dsg n ASP 56 Ca 0.10 -0.27 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 3dsg n ASP 56 Cb 0.31 -2.35 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 3dsg n ASP 56 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3dsg s SER 57 N -2.58 6.20 -0.01 -2.24 0.15 -0.02 -5.00 113.70 110.21 3dsg s SER 57 Ca 0.34 0.11 0.14 0.00 0.70 0.00 0.00 55.95 57.24 3dsg s SER 57 Cb -0.19 -1.73 -0.18 0.00 -1.71 0.00 0.00 66.02 62.21 3dsg s SER 57 CO 0.42 -0.24 0.47 -1.54 1.20 0.00 0.00 173.24 173.56 3dsg n SER 58 N -1.59 1.09 -4.76 5.45 3.41 -1.26 -4.87 113.62 111.10 3dsg n SER 58 Ca -0.05 -0.50 -0.33 0.00 -0.26 0.00 0.00 58.87 57.72 3dsg n SER 58 Cb 0.57 1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 65.70 3dsg n SER 58 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dsg s GLU 59 N -2.57 3.04 -0.19 4.33 -1.05 -1.26 -5.12 118.70 115.88 3dsg s GLU 59 Ca 0.01 -0.47 -0.15 0.00 -0.15 0.00 0.00 54.97 54.22 3dsg s GLU 59 Cb 0.10 -2.84 -0.04 0.00 -0.44 0.00 0.00 34.13 30.90 3dsg s GLU 59 CO 0.57 0.66 0.34 1.03 0.95 0.00 0.00 175.26 178.81 3dsg s ARG 60 N -1.52 4.20 -0.35 -4.83 0.52 -1.26 -4.57 118.95 111.15 3dsg s ARG 60 Ca 0.20 0.12 -0.07 0.00 -0.52 0.00 0.00 55.73 55.47 3dsg s ARG 60 Cb -0.12 -3.49 0.04 0.00 0.52 0.00 0.00 34.95 31.90 3dsg s ARG 60 CO 0.11 0.08 0.12 -0.51 0.02 0.00 0.00 175.30 175.12 3dsg s LEU 61 N 0.94 4.42 0.17 2.53 1.02 0.47 -4.83 118.68 123.39 3dsg s LEU 61 Ca 0.17 -1.17 -0.30 0.00 0.02 0.00 0.00 54.13 52.85 3dsg s LEU 61 Cb -0.14 -1.89 -0.07 0.00 0.02 0.00 0.00 46.19 44.11 3dsg s LEU 61 CO 0.06 -0.35 1.02 -2.84 0.02 0.00 0.00 176.35 174.26 3dsg s PRO 62 N 1.41 4.69 -0.06 1.29 0.02 -1.26 0.88 135.00 141.97 3dsg s PRO 62 Ca -0.01 1.58 0.01 0.00 0.02 0.00 0.00 61.00 62.60 3dsg s PRO 62 Cb -0.20 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.03 3dsg s PRO 62 CO 0.03 0.22 -0.07 0.08 -0.33 0.00 0.00 177.00 176.93 3dsg s VAL 63 N -0.38 0.74 -0.69 3.83 1.01 0.33 -4.96 120.40 120.29 3dsg s VAL 63 Ca 0.47 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 3dsg s VAL 63 Cb -0.27 -0.74 0.18 0.00 0.00 0.00 0.00 36.38 35.55 3dsg s VAL 63 CO 0.33 0.28 0.62 0.00 0.00 0.00 0.00 175.10 176.33 3dsg s ALA 64 N 1.03 3.85 0.51 5.51 0.00 -1.26 -1.12 121.76 130.28 3dsg s ALA 64 Ca -0.09 -2.98 0.06 0.00 0.00 0.00 0.00 51.96 48.95 3dsg s ALA 64 Cb -0.14 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3dsg s ALA 64 CO -0.00 -2.15 0.37 0.20 0.00 0.00 0.00 175.76 174.18 3dsg s GLY 65 N 2.64 2.35 -0.02 0.00 0.00 -0.51 -3.68 107.32 108.10 3dsg s GLY 65 Ca 0.12 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.44 3dsg s GLY 65 CO -0.04 -1.91 -0.07 1.25 0.00 0.00 0.00 173.10 172.33 3dsg s LYS 66 N -4.21 0.72 -0.45 2.90 2.20 -0.59 0.55 119.74 120.86 3dsg s LYS 66 Ca 0.36 -0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.46 3dsg s LYS 66 Cb -0.02 -0.69 -0.01 0.00 -1.51 0.00 0.00 37.83 35.60 3dsg s LYS 66 CO 0.22 0.10 1.67 0.08 -0.36 0.00 0.00 175.35 177.06 3dsg s VAL 67 N 0.14 3.58 -0.35 4.02 1.01 0.04 -0.01 120.40 128.83 3dsg s VAL 67 Ca -0.02 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.55 3dsg s VAL 67 Cb -0.07 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3dsg s VAL 67 CO -0.00 -0.72 0.34 1.33 0.00 0.00 0.00 175.10 176.05 3dsg n VAL 68 N 7.21 0.00 -3.64 2.92 0.24 -0.44 -1.89 118.33 122.74 3dsg n VAL 68 Ca 0.19 -0.42 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 3dsg n VAL 68 Cb 0.49 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 3dsg n VAL 68 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3dsg s TRP 69 N -1.14 -0.55 0.30 6.34 -0.11 -1.25 -5.01 118.94 117.52 3dsg s TRP 69 Ca 0.03 1.22 0.11 0.00 1.22 0.00 0.00 56.10 58.68 3dsg s TRP 69 Cb 0.04 0.37 -0.05 0.00 -1.50 0.00 0.00 33.47 32.33 3dsg s TRP 69 CO 0.15 -0.27 -0.11 0.95 -4.62 0.00 0.00 176.95 173.06 3dsg s THR 70 N 0.72 2.69 -0.17 5.86 -4.23 -1.26 -1.91 115.64 117.34 3dsg s THR 70 Ca -0.02 -2.20 -0.10 0.00 -1.18 0.00 0.00 61.69 58.19 3dsg s THR 70 Cb -0.05 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.30 3dsg s THR 70 CO -0.10 -0.34 0.42 -0.89 -0.54 0.00 0.00 174.62 173.17 3dsg s THR 71 N -2.48 -0.02 -0.78 3.99 2.01 -0.63 -4.97 115.64 112.75 3dsg s THR 71 Ca 0.31 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.46 3dsg s THR 71 Cb -0.04 -0.62 0.36 0.00 0.01 0.00 0.00 72.50 72.22 3dsg s THR 71 CO 0.17 0.03 1.07 -0.81 -0.69 0.00 0.00 174.62 174.40 3dsg n PRO 72 N 4.15 2.66 -0.60 4.92 -0.04 -1.26 -2.31 135.00 142.52 3dsg n PRO 72 Ca -0.23 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 3dsg n PRO 72 Cb 0.55 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 3dsg n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dsg n ALA 73 N 0.29 -2.51 -0.70 0.55 0.00 -1.26 -4.71 120.51 112.17 3dsg n ALA 73 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3dsg n ALA 73 Cb 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3dsg n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dsg n GLY 74 N 0.49 1.05 1.99 0.00 0.00 0.22 -4.88 105.19 104.06 3dsg n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dsg n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dsg n ALA 75 N -0.97 3.00 0.28 4.61 0.00 -1.26 -5.02 120.51 121.15 3dsg n ALA 75 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3dsg n ALA 75 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3dsg n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3dsg n ASN 78 N -2.73 0.69 -4.77 0.00 5.15 -1.26 -4.73 115.26 107.61 3dsg n ASN 78 Ca 0.00 0.14 -0.40 0.00 -0.60 0.00 0.00 54.58 53.72 3dsg n ASN 78 Cb 0.00 0.62 0.01 0.00 -0.53 0.00 0.00 39.78 39.89 3dsg n ASN 78 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3dsg s ARG 79 N -3.31 3.83 0.62 1.20 3.52 -1.26 -4.97 118.95 118.58 3dsg s ARG 79 Ca 0.01 2.34 -0.16 0.00 -0.13 0.00 0.00 55.73 57.79 3dsg s ARG 79 Cb 0.12 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.76 3dsg s ARG 79 CO 0.79 -0.67 1.10 0.00 -0.81 0.00 0.00 175.30 175.71 3dsg s ALA 80 N -1.21 2.59 0.28 6.12 0.00 -1.26 -0.61 121.76 127.67 3dsg s ALA 80 Ca 0.59 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 3dsg s ALA 80 Cb -0.42 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.26 3dsg s ALA 80 CO 0.54 -1.04 1.18 0.00 0.00 0.00 0.00 175.76 176.44 3dsg n ALA 81 N -2.07 0.38 0.00 0.00 0.00 -1.26 -4.30 120.51 113.26 3dsg n ALA 81 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3dsg n ALA 81 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3dsg n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dsg n GLY 82 N 1.35 -1.40 3.11 0.00 0.00 -0.98 -1.79 105.19 105.49 3dsg n GLY 82 Ca 0.09 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 3dsg n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dsg s ILE 83 N -2.96 0.92 -0.45 -0.61 -4.36 -0.68 -1.61 121.20 111.45 3dsg s ILE 83 Ca 0.00 -0.97 -0.28 0.00 -0.26 0.00 0.00 60.65 59.15 3dsg s ILE 83 Cb 0.00 -0.86 0.03 0.00 1.25 0.00 0.00 42.46 42.87 3dsg s ILE 83 CO 0.00 -0.09 1.04 -0.83 0.24 0.00 0.00 174.94 175.31 3dsg s GLY 84 N -1.18 1.40 -0.24 6.27 0.00 -0.80 0.49 107.32 113.25 3dsg s GLY 84 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 3dsg s GLY 84 CO 0.01 2.24 -0.03 0.14 0.00 0.00 0.00 173.10 175.47 3dsg s VAL 85 N 4.07 3.32 -0.18 1.40 1.01 0.10 -1.33 120.40 128.80 3dsg s VAL 85 Ca 0.43 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3dsg s VAL 85 Cb -0.09 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3dsg s VAL 85 CO 0.27 0.31 0.49 -1.58 0.00 0.00 0.00 175.10 174.60 3dsg s GLN 86 N 1.44 4.23 0.27 2.72 0.74 0.99 -1.64 119.66 128.41 3dsg s GLN 86 Ca 0.04 0.40 -0.30 0.00 0.05 0.00 0.00 55.36 55.55 3dsg s GLN 86 Cb -0.15 -3.52 -0.13 0.00 1.10 0.00 0.00 33.01 30.30 3dsg s GLN 86 CO -0.03 -0.05 1.31 1.19 -0.55 0.00 0.00 175.29 177.17 3dsg n PHE 87 N 4.43 2.03 -1.29 1.67 3.72 -0.84 -1.54 117.46 125.64 3dsg n PHE 87 Ca -0.06 0.51 -0.30 0.00 -0.05 0.00 0.00 57.45 57.56 3dsg n PHE 87 Cb 0.51 -2.41 0.12 0.00 -0.94 0.00 0.00 39.48 36.76 3dsg n PHE 87 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dsg s PRO 88 N -0.92 1.50 0.33 -1.08 0.04 -1.24 -4.85 135.00 128.78 3dsg s PRO 88 Ca 0.64 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 3dsg s PRO 88 Cb -0.65 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 3dsg s PRO 88 CO 0.54 -2.07 1.43 0.34 0.04 0.00 0.00 177.00 177.29 3dsg s ASP 89 N -3.54 6.55 0.00 6.66 3.68 -1.26 -4.04 116.67 124.72 3dsg s ASP 89 Ca 0.63 2.85 0.00 0.00 2.13 0.00 0.00 52.55 58.15 3dsg s ASP 89 Cb -0.17 -2.65 0.00 0.00 -1.45 0.00 0.00 42.92 38.65 3dsg s ASP 89 CO 0.56 -0.73 0.00 0.61 0.13 0.00 0.00 175.17 175.74 3dsg n GLY 90 N 1.12 -2.67 0.32 2.66 0.00 -1.26 -4.74 105.19 100.62 3dsg n GLY 90 Ca 0.03 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.35 3dsg n GLY 90 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dsg h PRO 91 N 0.00 0.07 0.00 1.61 0.11 -1.99 -2.10 132.00 129.71 3dsg h PRO 91 Ca 0.00 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3dsg h PRO 91 Cb 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3dsg h PRO 91 CO 0.00 0.05 -0.51 0.93 -0.21 0.00 0.00 178.00 178.26 3dsg h GLU 92 N 0.08 0.00 0.22 1.05 5.08 -1.91 -2.04 114.58 117.06 3dsg h GLU 92 Ca 0.54 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.61 3dsg h GLU 92 Cb 1.08 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.37 3dsg h GLU 92 CO -0.80 0.51 -1.30 0.78 -1.00 0.00 0.00 179.01 177.20 3dsg h GLY 93 N 2.50 0.56 0.99 -3.84 0.00 -1.54 -3.20 103.07 98.55 3dsg h GLY 93 Ca -0.01 -1.42 -0.00 0.00 0.00 0.00 0.00 47.33 45.91 3dsg h GLY 93 CO 0.07 1.24 0.32 -2.09 0.00 0.00 0.00 176.54 176.08 3dsg h GLU 94 N 0.03 0.73 -0.75 4.80 4.81 -1.38 -1.59 114.58 121.21 3dsg h GLU 94 Ca -0.22 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.03 3dsg h GLU 94 Cb 2.02 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 31.18 3dsg h GLU 94 CO 0.24 0.52 0.41 0.00 -0.73 0.00 0.00 179.01 179.46 3dsg h ALA 95 N 1.16 1.05 -0.49 2.92 0.00 -1.41 0.28 119.26 122.77 3dsg h ALA 95 Ca 0.19 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3dsg h ALA 95 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dsg h ALA 95 CO -0.04 0.04 0.12 0.28 0.00 0.00 0.00 179.25 179.65 3dsg h VAL 96 N 0.70 1.24 -0.29 0.00 2.07 -1.31 0.47 116.25 119.13 3dsg h VAL 96 Ca 0.36 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3dsg h VAL 96 Cb 0.33 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3dsg h VAL 96 CO -0.24 0.30 -0.03 -0.09 0.02 0.00 0.00 177.57 177.53 3dsg h ARG 97 N 0.68 0.53 -0.62 1.57 2.43 -0.80 -1.58 114.38 116.59 3dsg h ARG 97 Ca 0.15 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3dsg h ARG 97 Cb 0.33 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3dsg h ARG 97 CO 0.00 0.70 0.26 -0.91 -1.51 0.00 0.00 179.97 178.52 3dsg h ASN 98 N 0.31 0.84 -0.85 -3.80 -0.26 -0.17 0.12 115.58 111.76 3dsg h ASN 98 Ca 0.08 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 3dsg h ASN 98 Cb 0.49 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.49 3dsg h ASN 98 CO 0.02 0.77 0.49 0.11 -1.06 0.00 0.00 177.43 177.76 3dsg h LYS 99 N 0.86 1.17 0.68 0.81 1.57 -0.61 -1.75 116.57 119.31 3dsg h LYS 99 Ca 0.21 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3dsg h LYS 99 Cb 0.18 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3dsg h LYS 99 CO -0.02 0.84 -0.33 0.82 -0.57 0.00 0.00 179.45 180.20 3dsg h ILE 100 N 1.18 0.21 -0.88 1.86 2.04 -0.37 -2.40 117.51 119.16 3dsg h ILE 100 Ca 0.30 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3dsg h ILE 100 Cb -0.01 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 3dsg h ILE 100 CO -0.05 0.02 0.55 -0.33 0.00 0.00 0.00 178.15 178.34 3dsg h GLU 101 N -1.10 0.96 -0.79 2.37 5.08 -0.69 0.87 114.58 121.28 3dsg h GLU 101 Ca -0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3dsg h GLU 101 Cb 0.73 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3dsg h GLU 101 CO 0.15 0.64 0.48 1.79 -1.00 0.00 0.00 179.01 181.07 3dsg h THR 102 N 0.99 1.22 0.00 1.13 1.35 -1.33 0.31 112.91 116.58 3dsg h THR 102 Ca 0.39 -0.48 -0.07 0.00 -0.55 0.00 0.00 66.41 65.69 3dsg h THR 102 Cb 0.19 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 3dsg h THR 102 CO -0.18 0.23 -0.32 -0.07 -0.25 0.00 0.00 175.52 174.93 3dsg h LEU 103 N 1.09 0.00 -0.76 3.87 3.38 -0.31 -2.98 115.31 119.60 3dsg h LEU 103 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dsg h LEU 103 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3dsg h LEU 103 CO -0.05 0.32 -0.55 0.18 0.09 0.00 0.00 178.44 178.43 3dsg n LEU 104 N -4.04 1.74 -0.12 1.67 4.77 0.28 -4.12 117.00 117.17 3dsg n LEU 104 Ca -0.02 -0.66 -0.11 0.00 -0.03 0.00 0.00 56.01 55.20 3dsg n LEU 104 Cb 0.38 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3dsg n LEU 104 CO 0.38 0.34 0.76 0.00 -1.33 0.00 0.00 177.39 177.53 3dsg h ALA 105 N 3.70 0.49 -0.01 -1.18 0.00 -0.34 -3.50 119.26 118.41 3dsg h ALA 105 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dsg h ALA 105 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dsg h ALA 105 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94